smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001119767466 847969267 /nfs/dbraw/zinc/96/92/67/847969267.db2.gz XBYIPLNMCVFVJW-MRXNPFEDSA-N 2 1 354.495 0.204 10 0 FCAEMP C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001123934367 848657033 /nfs/dbraw/zinc/65/70/33/848657033.db2.gz VDCYFLCPTOKUBA-SQNIBIBYSA-N 2 1 352.523 0.630 10 0 FCAEMP C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)s2)C1 ZINC001175128491 850753561 /nfs/dbraw/zinc/75/35/61/850753561.db2.gz NSQNNGGEWBEWPY-GOSISDBHSA-N 2 1 366.531 0.634 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1C ZINC001278084891 862181298 /nfs/dbraw/zinc/18/12/98/862181298.db2.gz HTEIXMGBZZGGAR-FVQBIDKESA-N 2 1 351.495 0.545 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ocnc3C)C2)CC[NH+]1C ZINC001278782590 862476024 /nfs/dbraw/zinc/47/60/24/862476024.db2.gz ZTLUKWMDGCWTQX-HDMKZQKVSA-N 2 1 350.463 0.766 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC2CC2)C(C)(C)C)CC[N@H+]1C ZINC001278961641 862584786 /nfs/dbraw/zinc/58/47/86/862584786.db2.gz BMQYVEDOPARIEH-BMFZPTHFSA-N 2 1 352.523 0.973 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1[C@@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC001252932726 857850775 /nfs/dbraw/zinc/85/07/75/857850775.db2.gz WEUPSZQSVVSSFV-FZKCQIBNSA-N 2 1 355.527 0.908 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1[C@@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC001252932726 857850784 /nfs/dbraw/zinc/85/07/84/857850784.db2.gz WEUPSZQSVVSSFV-FZKCQIBNSA-N 2 1 355.527 0.908 10 0 FCAEMP CNC(=O)[C@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC001261798949 858668339 /nfs/dbraw/zinc/66/83/39/858668339.db2.gz YSHAWBBENBWTEE-HOTGVXAUSA-N 2 1 368.598 0.831 10 0 FCAEMP CCN1CC[NH+](CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001261850247 858685396 /nfs/dbraw/zinc/68/53/96/858685396.db2.gz FJJCTCGBDCBTSA-KRWDZBQOSA-N 2 1 350.511 0.822 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC001262265906 858842893 /nfs/dbraw/zinc/84/28/93/858842893.db2.gz FRNJPIVUOAWOOE-ZNMIVQPWSA-N 2 1 370.563 0.775 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC001262265906 858842904 /nfs/dbraw/zinc/84/29/04/858842904.db2.gz FRNJPIVUOAWOOE-ZNMIVQPWSA-N 2 1 370.563 0.775 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC001262265903 858843446 /nfs/dbraw/zinc/84/34/46/858843446.db2.gz FRNJPIVUOAWOOE-KKUMJFAQSA-N 2 1 370.563 0.775 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC001262265903 858843454 /nfs/dbraw/zinc/84/34/54/858843454.db2.gz FRNJPIVUOAWOOE-KKUMJFAQSA-N 2 1 370.563 0.775 10 0 FCAEMP CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001263904774 859233697 /nfs/dbraw/zinc/23/36/97/859233697.db2.gz COQCBPOAKMSGSF-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001264100727 859312999 /nfs/dbraw/zinc/31/29/99/859312999.db2.gz FBXVPIYHTGHYMY-BBWFWOEESA-N 2 1 371.547 0.542 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001264100727 859313004 /nfs/dbraw/zinc/31/30/04/859313004.db2.gz FBXVPIYHTGHYMY-BBWFWOEESA-N 2 1 371.547 0.542 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001264100727 859313011 /nfs/dbraw/zinc/31/30/11/859313011.db2.gz FBXVPIYHTGHYMY-BBWFWOEESA-N 2 1 371.547 0.542 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001264721544 859439039 /nfs/dbraw/zinc/43/90/39/859439039.db2.gz PHWNNQCRHPHLGO-PBHICJAKSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001264721544 859439041 /nfs/dbraw/zinc/43/90/41/859439041.db2.gz PHWNNQCRHPHLGO-PBHICJAKSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCCN2CCCC2=O)C2CC2)CC[N@H+]1C ZINC001265356400 859458433 /nfs/dbraw/zinc/45/84/33/859458433.db2.gz MAOOZIWPDUBEHJ-OIISXLGYSA-N 2 1 350.507 0.824 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265327230 859459140 /nfs/dbraw/zinc/45/91/40/859459140.db2.gz CXPSHIKUJHLHTF-OAGGEKHMSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001267128946 859496397 /nfs/dbraw/zinc/49/63/97/859496397.db2.gz FUQQSCBPEYPEDT-MELADBBJSA-N 2 1 351.451 0.828 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001267241691 859501987 /nfs/dbraw/zinc/50/19/87/859501987.db2.gz HNFKGDYUCFDYBF-QWHCGFSZSA-N 2 1 366.428 0.833 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001267241691 859501999 /nfs/dbraw/zinc/50/19/99/859501999.db2.gz HNFKGDYUCFDYBF-QWHCGFSZSA-N 2 1 366.428 0.833 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001267241691 859502009 /nfs/dbraw/zinc/50/20/09/859502009.db2.gz HNFKGDYUCFDYBF-QWHCGFSZSA-N 2 1 366.428 0.833 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001267241691 859502016 /nfs/dbraw/zinc/50/20/16/859502016.db2.gz HNFKGDYUCFDYBF-QWHCGFSZSA-N 2 1 366.428 0.833 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001267581615 859510025 /nfs/dbraw/zinc/51/00/25/859510025.db2.gz BTEBKVCIBJJIKD-BZUAXINKSA-N 2 1 351.495 0.132 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001267581615 859510029 /nfs/dbraw/zinc/51/00/29/859510029.db2.gz BTEBKVCIBJJIKD-BZUAXINKSA-N 2 1 351.495 0.132 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CCN3CCNC3=O)C2)CC[NH+]1C ZINC001267581615 859510034 /nfs/dbraw/zinc/51/00/34/859510034.db2.gz BTEBKVCIBJJIKD-BZUAXINKSA-N 2 1 351.495 0.132 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267763581 859516422 /nfs/dbraw/zinc/51/64/22/859516422.db2.gz OAVKMIJMMFBMDW-HYVNUMGLSA-N 2 1 354.495 0.012 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267763581 859516430 /nfs/dbraw/zinc/51/64/30/859516430.db2.gz OAVKMIJMMFBMDW-HYVNUMGLSA-N 2 1 354.495 0.012 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267763581 859516435 /nfs/dbraw/zinc/51/64/35/859516435.db2.gz OAVKMIJMMFBMDW-HYVNUMGLSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCOCCO)CC[N@H+]1C ZINC001272025926 860068136 /nfs/dbraw/zinc/06/81/36/860068136.db2.gz YXSHFKYEJQBSDR-XWTMOSNGSA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCOCCO)CC[NH+]1C ZINC001272025926 860068143 /nfs/dbraw/zinc/06/81/43/860068143.db2.gz YXSHFKYEJQBSDR-XWTMOSNGSA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCOCCO)CC[NH+]1C ZINC001272025926 860068153 /nfs/dbraw/zinc/06/81/53/860068153.db2.gz YXSHFKYEJQBSDR-XWTMOSNGSA-N 2 1 353.507 0.791 10 0 FCAEMP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001274926237 860872750 /nfs/dbraw/zinc/87/27/50/860872750.db2.gz WAXTWXCRRFIBRG-OIISXLGYSA-N 2 1 367.515 0.471 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCC(F)F)C2)CC[N@H+]1C ZINC001281119668 863488808 /nfs/dbraw/zinc/48/88/08/863488808.db2.gz BZYAWWYJWWCRGU-CKEIUWERSA-N 2 1 363.449 0.551 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCOCC(F)F)C2)CC[N@H+]1C ZINC001281119669 863489105 /nfs/dbraw/zinc/48/91/05/863489105.db2.gz BZYAWWYJWWCRGU-CPUCHLNUSA-N 2 1 363.449 0.551 10 0 FCAEMP CC(C)N(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001281290701 863510808 /nfs/dbraw/zinc/51/08/08/863510808.db2.gz XINHNDKMJACQDH-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)N(CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001281290701 863510813 /nfs/dbraw/zinc/51/08/13/863510813.db2.gz XINHNDKMJACQDH-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)N(CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281290701 863510820 /nfs/dbraw/zinc/51/08/20/863510820.db2.gz XINHNDKMJACQDH-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001281615906 863541367 /nfs/dbraw/zinc/54/13/67/863541367.db2.gz ALXJARJIAFKSNE-DLBZAZTESA-N 2 1 350.507 0.873 10 0 FCAEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001282138826 864080303 /nfs/dbraw/zinc/08/03/03/864080303.db2.gz XEAUKHMLOUIEOQ-YESZJQIVSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001282381636 864236797 /nfs/dbraw/zinc/23/67/97/864236797.db2.gz JXMJDEHTTBREFD-OAGGEKHMSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001282449854 864266210 /nfs/dbraw/zinc/26/62/10/864266210.db2.gz FBPNOUNZHDWADC-JTDSTZFVSA-N 2 1 350.507 0.587 10 0 FCAEMP COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001284415111 864560763 /nfs/dbraw/zinc/56/07/63/864560763.db2.gz BFHCPVWBIDNPLF-FVQBIDKESA-N 2 1 350.463 0.339 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1C ZINC001285375899 864625076 /nfs/dbraw/zinc/62/50/76/864625076.db2.gz ZCRZTOXLVCQLSW-YESZJQIVSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC001285375899 864625082 /nfs/dbraw/zinc/62/50/82/864625082.db2.gz ZCRZTOXLVCQLSW-YESZJQIVSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1C ZINC001285375899 864625086 /nfs/dbraw/zinc/62/50/86/864625086.db2.gz ZCRZTOXLVCQLSW-YESZJQIVSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC001285374292 864625355 /nfs/dbraw/zinc/62/53/55/864625355.db2.gz JKXBMPGHDRPBGX-DLBZAZTESA-N 2 1 352.523 0.975 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001289507429 865108097 /nfs/dbraw/zinc/10/80/97/865108097.db2.gz SJAACFMKSXFZIY-BZUAXINKSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001289538376 865126239 /nfs/dbraw/zinc/12/62/39/865126239.db2.gz KMDIOBOKNQZHPO-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001290838206 865527850 /nfs/dbraw/zinc/52/78/50/865527850.db2.gz FRLRANPVIJGDMO-MDZRGWNJSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001299540625 866180869 /nfs/dbraw/zinc/18/08/69/866180869.db2.gz LVLGYWZMTPCBLZ-FRQCXROJSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](CC)CCSCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001349777141 866438730 /nfs/dbraw/zinc/43/87/30/866438730.db2.gz KYJMDXRYRQJIBT-DOTOQJQBSA-N 2 1 359.536 0.403 10 0 FCAEMP CC[NH+](CC)CCSCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001349777141 866438745 /nfs/dbraw/zinc/43/87/45/866438745.db2.gz KYJMDXRYRQJIBT-DOTOQJQBSA-N 2 1 359.536 0.403 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001352845106 867273507 /nfs/dbraw/zinc/27/35/07/867273507.db2.gz KRMUVIDNEAFOAL-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001316649442 867371472 /nfs/dbraw/zinc/37/14/72/867371472.db2.gz BUMFMZWJFWPXQT-ZNMIVQPWSA-N 2 1 354.495 0.106 10 0 FCAEMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001316649442 867371491 /nfs/dbraw/zinc/37/14/91/867371491.db2.gz BUMFMZWJFWPXQT-ZNMIVQPWSA-N 2 1 354.495 0.106 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001316665950 867385395 /nfs/dbraw/zinc/38/53/95/867385395.db2.gz BJPQNFVSHYRGMP-VNQPRFMTSA-N 2 1 370.519 0.747 10 0 FCAEMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[NH+]43)C[N@H+]2C1 ZINC001353379774 867411810 /nfs/dbraw/zinc/41/18/10/867411810.db2.gz JXWCEQXIAWNOPJ-OYNZLANYSA-N 2 1 351.491 0.449 10 0 FCAEMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)C[NH+]2C1 ZINC001353379774 867411824 /nfs/dbraw/zinc/41/18/24/867411824.db2.gz JXWCEQXIAWNOPJ-OYNZLANYSA-N 2 1 351.491 0.449 10 0 FCAEMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)C[NH+]2C1 ZINC001353379774 867411834 /nfs/dbraw/zinc/41/18/34/867411834.db2.gz JXWCEQXIAWNOPJ-OYNZLANYSA-N 2 1 351.491 0.449 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001316740581 867436691 /nfs/dbraw/zinc/43/66/91/867436691.db2.gz MAAFTXPBGLTHIV-YESZJQIVSA-N 2 1 350.507 0.776 10 0 FCAEMP 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C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001316791092 867488057 /nfs/dbraw/zinc/48/80/57/867488057.db2.gz ZJMCIYDGSJGASD-OAGGEKHMSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001316791092 867488061 /nfs/dbraw/zinc/48/80/61/867488061.db2.gz ZJMCIYDGSJGASD-OAGGEKHMSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001316958163 867511474 /nfs/dbraw/zinc/51/14/74/867511474.db2.gz OTMQHZOHKMUORN-KZNAEPCWSA-N 2 1 352.523 0.487 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCN2CC[NH+](C[C@H](C)OC)CC2)CC[N@H+]1C ZINC001316957372 867512816 /nfs/dbraw/zinc/51/28/16/867512816.db2.gz CLOSEHVNIIJGAU-OKZBNKHCSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001316957372 867512825 /nfs/dbraw/zinc/51/28/25/867512825.db2.gz CLOSEHVNIIJGAU-OKZBNKHCSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C[C@H](C)OC)CC2)CC[N@H+]1C ZINC001316957372 867512833 /nfs/dbraw/zinc/51/28/33/867512833.db2.gz CLOSEHVNIIJGAU-OKZBNKHCSA-N 2 1 354.539 0.876 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001317109455 867520720 /nfs/dbraw/zinc/52/07/20/867520720.db2.gz NYZZHXASFRFLQN-APIJFGDWSA-N 2 1 353.511 0.661 10 0 FCAEMP COCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317108209 867520842 /nfs/dbraw/zinc/52/08/42/867520842.db2.gz AELCWWHMFQBNEJ-ZVDSWSACSA-N 2 1 354.495 0.105 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC001321751563 868599248 /nfs/dbraw/zinc/59/92/48/868599248.db2.gz JXDOFCHFVQZNJY-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001322103045 868734786 /nfs/dbraw/zinc/73/47/86/868734786.db2.gz HJCMADJSKIBSEH-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001324161113 869491539 /nfs/dbraw/zinc/49/15/39/869491539.db2.gz FKKDIOSSIYISCH-BRWVUGGUSA-N 2 1 350.507 0.920 10 0 FCAEMP CO[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CCCC1 ZINC001325214625 869818169 /nfs/dbraw/zinc/81/81/69/869818169.db2.gz TZIYNUVWZMRYOZ-DJIMGWMZSA-N 2 1 353.507 0.695 10 0 FCAEMP CO[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CCCC1 ZINC001325214625 869818175 /nfs/dbraw/zinc/81/81/75/869818175.db2.gz TZIYNUVWZMRYOZ-DJIMGWMZSA-N 2 1 353.507 0.695 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001343990863 870696539 /nfs/dbraw/zinc/69/65/39/870696539.db2.gz ZUKVWEQWVIGXJK-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001327504760 870914606 /nfs/dbraw/zinc/91/46/06/870914606.db2.gz RIDNNONHKWNFEM-OWCLPIDISA-N 2 1 350.438 0.787 10 0 FCAEMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001327504760 870914609 /nfs/dbraw/zinc/91/46/09/870914609.db2.gz RIDNNONHKWNFEM-OWCLPIDISA-N 2 1 350.438 0.787 10 0 FCAEMP Cc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)s1 ZINC001327634651 870985540 /nfs/dbraw/zinc/98/55/40/870985540.db2.gz IZICWSLNGRHQFW-TZMCWYRMSA-N 2 1 367.519 0.942 10 0 FCAEMP Cc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)s1 ZINC001327634651 870985551 /nfs/dbraw/zinc/98/55/51/870985551.db2.gz IZICWSLNGRHQFW-TZMCWYRMSA-N 2 1 367.519 0.942 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001345024440 871152689 /nfs/dbraw/zinc/15/26/89/871152689.db2.gz QLTJIPFCBJXAAE-IKGGRYGDSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001345024440 871152699 /nfs/dbraw/zinc/15/26/99/871152699.db2.gz QLTJIPFCBJXAAE-IKGGRYGDSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001345024440 871152704 /nfs/dbraw/zinc/15/27/04/871152704.db2.gz QLTJIPFCBJXAAE-IKGGRYGDSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001346176784 871685379 /nfs/dbraw/zinc/68/53/79/871685379.db2.gz HVEIUJJWXGKGJR-BRWVUGGUSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001346176784 871685388 /nfs/dbraw/zinc/68/53/88/871685388.db2.gz HVEIUJJWXGKGJR-BRWVUGGUSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001346176784 871685399 /nfs/dbraw/zinc/68/53/99/871685399.db2.gz HVEIUJJWXGKGJR-BRWVUGGUSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001346176786 871685689 /nfs/dbraw/zinc/68/56/89/871685689.db2.gz HVEIUJJWXGKGJR-IXDOHACOSA-N 2 1 352.523 0.879 10 0 FCAEMP 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C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CCNC(=O)NC(C)(C)C ZINC001329441722 872031694 /nfs/dbraw/zinc/03/16/94/872031694.db2.gz OXWTWDYJYYKERO-RBSFLKMASA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@H](O)[C@H]1C[N@@H+](CC[Si](C)(C)CC[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823698 872286082 /nfs/dbraw/zinc/28/60/82/872286082.db2.gz CVEDOAYYCGHMDA-XLAORIBOSA-N 2 1 374.598 0.858 10 0 FCAEMP C[C@H](O)[C@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823698 872286093 /nfs/dbraw/zinc/28/60/93/872286093.db2.gz CVEDOAYYCGHMDA-XLAORIBOSA-N 2 1 374.598 0.858 10 0 FCAEMP C[C@H](O)[C@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823698 872286111 /nfs/dbraw/zinc/28/61/11/872286111.db2.gz CVEDOAYYCGHMDA-XLAORIBOSA-N 2 1 374.598 0.858 10 0 FCAEMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001348191333 872622532 /nfs/dbraw/zinc/62/25/32/872622532.db2.gz DPNBYZWFJDZBJV-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP 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CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248926720 488504417 /nfs/dbraw/zinc/50/44/17/488504417.db2.gz FZPFFDCBBSBBBC-SJLPKXTDSA-N 2 1 363.506 0.905 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000106125503 488511564 /nfs/dbraw/zinc/51/15/64/488511564.db2.gz CSXDIAHGCLWKIJ-STQMWFEESA-N 2 1 351.499 0.605 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000106125503 488511566 /nfs/dbraw/zinc/51/15/66/488511566.db2.gz CSXDIAHGCLWKIJ-STQMWFEESA-N 2 1 351.499 0.605 10 0 FCAEMP C[N@@H+](CCN1CCN(C(=O)C2([NH3+])CCOCC2)CC1)Cc1ccccc1 ZINC000261698429 488531473 /nfs/dbraw/zinc/53/14/73/488531473.db2.gz DPLLWECBRWTOGX-UHFFFAOYSA-N 2 1 360.502 0.771 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812437 488531635 /nfs/dbraw/zinc/53/16/35/488531635.db2.gz LSQPFPIDYLVCBK-ZWKOTPCHSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000111812437 488531636 /nfs/dbraw/zinc/53/16/36/488531636.db2.gz LSQPFPIDYLVCBK-ZWKOTPCHSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000111812437 488531637 /nfs/dbraw/zinc/53/16/37/488531637.db2.gz LSQPFPIDYLVCBK-ZWKOTPCHSA-N 2 1 369.554 0.668 10 0 FCAEMP C[C@@H](NC(=O)CN(C)CC(=O)N1CCNCC1)c1ccccc1Cl ZINC000261864188 488539019 /nfs/dbraw/zinc/53/90/19/488539019.db2.gz KQEPZRLMUPSSKQ-CYBMUJFWSA-N 2 1 352.866 0.881 10 0 FCAEMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)NCc1ccccc1 ZINC000261953278 488543567 /nfs/dbraw/zinc/54/35/67/488543567.db2.gz OOUGUMIYXQBFJN-KZNAEPCWSA-N 2 1 367.515 0.853 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024276 488546456 /nfs/dbraw/zinc/54/64/56/488546456.db2.gz OZGVAYQWPYCJAC-ARFHVFGLSA-N 2 1 350.507 0.905 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118124664 488553405 /nfs/dbraw/zinc/55/34/05/488553405.db2.gz SPHHIIDPYFDETQ-QGZVFWFLSA-N 2 1 362.474 0.914 10 0 FCAEMP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000125198465 488598496 /nfs/dbraw/zinc/59/84/96/488598496.db2.gz VNOMPGXUXPNSPW-HXUWFJFHSA-N 2 1 374.529 0.897 10 0 FCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@H](C)C1 ZINC000128380028 488624402 /nfs/dbraw/zinc/62/44/02/488624402.db2.gz SHYXLLBDVQMIBC-ZBFHGGJFSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@H](C)C1 ZINC000128380028 488624404 /nfs/dbraw/zinc/62/44/04/488624404.db2.gz SHYXLLBDVQMIBC-ZBFHGGJFSA-N 2 1 353.511 0.569 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)CC1 ZINC000133738026 488661628 /nfs/dbraw/zinc/66/16/28/488661628.db2.gz DFYBEJNAWDHWCO-INIZCTEOSA-N 2 1 368.547 0.484 10 0 FCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000139508213 488685077 /nfs/dbraw/zinc/68/50/77/488685077.db2.gz QBTAEVLKJOWVHB-INIZCTEOSA-N 2 1 361.494 0.382 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000139508213 488685081 /nfs/dbraw/zinc/68/50/81/488685081.db2.gz QBTAEVLKJOWVHB-INIZCTEOSA-N 2 1 361.494 0.382 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCCCNC3=O)CC2)CC1 ZINC000153643992 488733850 /nfs/dbraw/zinc/73/38/50/488733850.db2.gz CYPSOBNROVDOLP-KRWDZBQOSA-N 2 1 350.507 0.921 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])n1C ZINC000563140637 491220617 /nfs/dbraw/zinc/22/06/17/491220617.db2.gz DQCQNJNFFJDQHU-MRXNPFEDSA-N 2 1 370.457 0.187 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000570187675 491223369 /nfs/dbraw/zinc/22/33/69/491223369.db2.gz JQNOXJXUWVXRFY-BBWFWOEESA-N 2 1 360.506 0.889 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000171898725 488828281 /nfs/dbraw/zinc/82/82/81/488828281.db2.gz URUVGJAMRHYWMC-DLBZAZTESA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000171898725 488828282 /nfs/dbraw/zinc/82/82/82/488828282.db2.gz URUVGJAMRHYWMC-DLBZAZTESA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000171898725 488828283 /nfs/dbraw/zinc/82/82/83/488828283.db2.gz URUVGJAMRHYWMC-DLBZAZTESA-N 2 1 356.511 0.753 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000175749392 488855407 /nfs/dbraw/zinc/85/54/07/488855407.db2.gz XHQVEMZGGBLTPL-AEFFLSMTSA-N 2 1 368.522 0.849 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000175781649 488855764 /nfs/dbraw/zinc/85/57/64/488855764.db2.gz XRVKRBVVVYRZJW-IAGOWNOFSA-N 2 1 355.527 0.016 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000178592538 488860349 /nfs/dbraw/zinc/86/03/49/488860349.db2.gz CXGZOVJTSHTBDZ-IYBDPMFKSA-N 2 1 354.495 0.108 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000178592538 488860350 /nfs/dbraw/zinc/86/03/50/488860350.db2.gz CXGZOVJTSHTBDZ-IYBDPMFKSA-N 2 1 354.495 0.108 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000178592538 488860351 /nfs/dbraw/zinc/86/03/51/488860351.db2.gz CXGZOVJTSHTBDZ-IYBDPMFKSA-N 2 1 354.495 0.108 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000181809584 488863700 /nfs/dbraw/zinc/86/37/00/488863700.db2.gz CSDWMCXSFLNDPQ-IRXDYDNUSA-N 2 1 370.538 0.689 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000570219475 491225546 /nfs/dbraw/zinc/22/55/46/491225546.db2.gz MNOVWQZMUUHRND-KRWDZBQOSA-N 2 1 366.506 0.347 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369683601 489263103 /nfs/dbraw/zinc/26/31/03/489263103.db2.gz NEVZXIOKLXCBGQ-MRXNPFEDSA-N 2 1 364.494 1.382 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000370101605 489316163 /nfs/dbraw/zinc/31/61/63/489316163.db2.gz LKHUMSWGVPRWGD-OAHLLOKOSA-N 2 1 364.494 1.070 10 0 FCAEMP COC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000370561340 489375019 /nfs/dbraw/zinc/37/50/19/489375019.db2.gz KGGLYQTURVZQTI-BZUAXINKSA-N 2 1 355.479 0.200 10 0 FCAEMP COC(=O)[C@@H]1C[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000370561340 489375022 /nfs/dbraw/zinc/37/50/22/489375022.db2.gz KGGLYQTURVZQTI-BZUAXINKSA-N 2 1 355.479 0.200 10 0 FCAEMP COC(=O)[C@@H]1C[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000370561340 489375025 /nfs/dbraw/zinc/37/50/25/489375025.db2.gz KGGLYQTURVZQTI-BZUAXINKSA-N 2 1 355.479 0.200 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH2+]C(C)C)CC2)C1 ZINC000362891129 489403973 /nfs/dbraw/zinc/40/39/73/489403973.db2.gz RQDUVGLFCBYYFD-SFHVURJKSA-N 2 1 354.539 0.922 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000363396424 489462272 /nfs/dbraw/zinc/46/22/72/489462272.db2.gz YTFYXLXCGDKHOW-KRWDZBQOSA-N 2 1 365.522 0.810 10 0 FCAEMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]C)CC2)C[C@H]1CC ZINC000423269365 489509851 /nfs/dbraw/zinc/50/98/51/489509851.db2.gz FOYQJMXGXYMCGE-MRXNPFEDSA-N 2 1 354.495 0.156 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]C)CC2)C[C@H]1CC ZINC000423269365 489509853 /nfs/dbraw/zinc/50/98/53/489509853.db2.gz FOYQJMXGXYMCGE-MRXNPFEDSA-N 2 1 354.495 0.156 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806067 489525024 /nfs/dbraw/zinc/52/50/24/489525024.db2.gz WHCCVHRHGRMHBI-IRXDYDNUSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806067 489525028 /nfs/dbraw/zinc/52/50/28/489525028.db2.gz WHCCVHRHGRMHBI-IRXDYDNUSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806067 489525031 /nfs/dbraw/zinc/52/50/31/489525031.db2.gz WHCCVHRHGRMHBI-IRXDYDNUSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451806069 489525157 /nfs/dbraw/zinc/52/51/57/489525157.db2.gz WHCCVHRHGRMHBI-SJORKVTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451806069 489525161 /nfs/dbraw/zinc/52/51/61/489525161.db2.gz WHCCVHRHGRMHBI-SJORKVTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451806069 489525163 /nfs/dbraw/zinc/52/51/63/489525163.db2.gz WHCCVHRHGRMHBI-SJORKVTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425843345 489533399 /nfs/dbraw/zinc/53/33/99/489533399.db2.gz ODRLMUHQZYQZJP-IAGOWNOFSA-N 2 1 367.538 0.912 10 0 FCAEMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)ccc1Cl ZINC000415897469 489564166 /nfs/dbraw/zinc/56/41/66/489564166.db2.gz SGKPJOQFMNTJLC-UHFFFAOYSA-N 2 1 366.849 0.541 10 0 FCAEMP Cc1occc1C(=O)NC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000372453951 489585648 /nfs/dbraw/zinc/58/56/48/489585648.db2.gz GXNREYOQBGVXST-UHFFFAOYSA-N 2 1 362.474 0.946 10 0 FCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000457141964 489638423 /nfs/dbraw/zinc/63/84/23/489638423.db2.gz YRKOBDBRYMLXLM-KRWDZBQOSA-N 2 1 361.490 0.119 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000457141964 489638426 /nfs/dbraw/zinc/63/84/26/489638426.db2.gz YRKOBDBRYMLXLM-KRWDZBQOSA-N 2 1 361.490 0.119 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417382271 489650220 /nfs/dbraw/zinc/65/02/20/489650220.db2.gz JJYMWWPQYSWEFJ-SJLPKXTDSA-N 2 1 360.506 0.891 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417419198 489651593 /nfs/dbraw/zinc/65/15/93/489651593.db2.gz CPISIDYHUMDXQH-DLBZAZTESA-N 2 1 361.490 0.928 10 0 FCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000457641623 489652510 /nfs/dbraw/zinc/65/25/10/489652510.db2.gz DVJKXUPIYBERLR-INIZCTEOSA-N 2 1 364.490 0.835 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000457641623 489652513 /nfs/dbraw/zinc/65/25/13/489652513.db2.gz DVJKXUPIYBERLR-INIZCTEOSA-N 2 1 364.490 0.835 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417430200 489652640 /nfs/dbraw/zinc/65/26/40/489652640.db2.gz ORWMMQPNDUYANZ-HZPDHXFCSA-N 2 1 351.495 0.465 10 0 FCAEMP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457752229 489655911 /nfs/dbraw/zinc/65/59/11/489655911.db2.gz WXKSWMOPKOXREF-GOSISDBHSA-N 2 1 369.554 0.550 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457752229 489655912 /nfs/dbraw/zinc/65/59/12/489655912.db2.gz WXKSWMOPKOXREF-GOSISDBHSA-N 2 1 369.554 0.550 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457752229 489655914 /nfs/dbraw/zinc/65/59/14/489655914.db2.gz WXKSWMOPKOXREF-GOSISDBHSA-N 2 1 369.554 0.550 10 0 FCAEMP C[C@@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H](C)[NH3+] ZINC000417546055 489657521 /nfs/dbraw/zinc/65/75/21/489657521.db2.gz LEYMENBMRZRCQL-VBQJREDUSA-N 2 1 361.490 0.919 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458468410 489685095 /nfs/dbraw/zinc/68/50/95/489685095.db2.gz UZHLZJFQFNMUBA-QZTJIDSGSA-N 2 1 369.554 0.406 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458468410 489685096 /nfs/dbraw/zinc/68/50/96/489685096.db2.gz UZHLZJFQFNMUBA-QZTJIDSGSA-N 2 1 369.554 0.406 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458468410 489685100 /nfs/dbraw/zinc/68/51/00/489685100.db2.gz UZHLZJFQFNMUBA-QZTJIDSGSA-N 2 1 369.554 0.406 10 0 FCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000458483221 489685828 /nfs/dbraw/zinc/68/58/28/489685828.db2.gz AABXCVDULRQQDU-HNNXBMFYSA-N 2 1 352.454 0.966 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000458483221 489685829 /nfs/dbraw/zinc/68/58/29/489685829.db2.gz AABXCVDULRQQDU-HNNXBMFYSA-N 2 1 352.454 0.966 10 0 FCAEMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000458483221 489685830 /nfs/dbraw/zinc/68/58/30/489685830.db2.gz AABXCVDULRQQDU-HNNXBMFYSA-N 2 1 352.454 0.966 10 0 FCAEMP C[C@H]1C[NH+](CCO)CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000458483221 489685833 /nfs/dbraw/zinc/68/58/33/489685833.db2.gz AABXCVDULRQQDU-HNNXBMFYSA-N 2 1 352.454 0.966 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418598853 489708680 /nfs/dbraw/zinc/70/86/80/489708680.db2.gz QWWAOWXAAOXZJJ-HOTGVXAUSA-N 2 1 353.511 0.570 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418598853 489708683 /nfs/dbraw/zinc/70/86/83/489708683.db2.gz QWWAOWXAAOXZJJ-HOTGVXAUSA-N 2 1 353.511 0.570 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418598852 489708847 /nfs/dbraw/zinc/70/88/47/489708847.db2.gz QWWAOWXAAOXZJJ-CVEARBPZSA-N 2 1 353.511 0.570 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418598852 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CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585516 493364198 /nfs/dbraw/zinc/36/41/98/493364198.db2.gz RKKVYKIIORTKDP-CABCVRRESA-N 2 1 353.511 0.746 10 0 FCAEMP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(=O)OC ZINC000600759176 491880922 /nfs/dbraw/zinc/88/09/22/491880922.db2.gz NRIRGFXLMWZZKP-ZVZYQTTQSA-N 2 1 369.506 0.781 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601328170 491904421 /nfs/dbraw/zinc/90/44/21/491904421.db2.gz IUWYSOHTHHXRQP-IAGOWNOFSA-N 2 1 354.495 0.603 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601328170 491904425 /nfs/dbraw/zinc/90/44/25/491904425.db2.gz IUWYSOHTHHXRQP-IAGOWNOFSA-N 2 1 354.495 0.603 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000595947787 491964076 /nfs/dbraw/zinc/96/40/76/491964076.db2.gz HYCNTCMSGSOQSS-IAGOWNOFSA-N 2 1 362.474 0.199 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000595947787 491964078 /nfs/dbraw/zinc/96/40/78/491964078.db2.gz HYCNTCMSGSOQSS-IAGOWNOFSA-N 2 1 362.474 0.199 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000604020573 492048986 /nfs/dbraw/zinc/04/89/86/492048986.db2.gz OLDCHOOPHCPXME-LJQANCHMSA-N 2 1 359.518 0.999 10 0 FCAEMP CCOC(=O)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000599287099 492154515 /nfs/dbraw/zinc/15/45/15/492154515.db2.gz PURQDZQCQCONSK-QGZVFWFLSA-N 2 1 369.506 0.567 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000617503670 492172243 /nfs/dbraw/zinc/17/22/43/492172243.db2.gz UBESTHXYLNJKPK-HNNXBMFYSA-N 2 1 373.501 0.864 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000617503670 492172245 /nfs/dbraw/zinc/17/22/45/492172245.db2.gz UBESTHXYLNJKPK-HNNXBMFYSA-N 2 1 373.501 0.864 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000617504496 492172727 /nfs/dbraw/zinc/17/27/27/492172727.db2.gz YLMBJIDOIYNSNF-SCLBCKFNSA-N 2 1 367.494 0.095 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000617504496 492172729 /nfs/dbraw/zinc/17/27/29/492172729.db2.gz YLMBJIDOIYNSNF-SCLBCKFNSA-N 2 1 367.494 0.095 10 0 FCAEMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000618561123 492231785 /nfs/dbraw/zinc/23/17/85/492231785.db2.gz OEPNVYOWQLGATF-MRXNPFEDSA-N 2 1 351.495 0.276 10 0 FCAEMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000618561123 492231787 /nfs/dbraw/zinc/23/17/87/492231787.db2.gz OEPNVYOWQLGATF-MRXNPFEDSA-N 2 1 351.495 0.276 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC000627427545 492291725 /nfs/dbraw/zinc/29/17/25/492291725.db2.gz HYWBWTUOLULQOP-AWEZNQCLSA-N 2 1 352.479 0.134 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[NH2+]1 ZINC000627428510 492292158 /nfs/dbraw/zinc/29/21/58/492292158.db2.gz HQZPQXQYPRUQMK-ZJIFWQFVSA-N 2 1 364.490 0.003 10 0 FCAEMP O=C(NCC[NH+]1CCc2sccc2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654397084 492298029 /nfs/dbraw/zinc/29/80/29/492298029.db2.gz UWLDRAMSBGLMJW-LSDHHAIUSA-N 2 1 350.488 0.567 10 0 FCAEMP O=C(NCC[NH+]1CCc2sccc2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654397084 492298031 /nfs/dbraw/zinc/29/80/31/492298031.db2.gz UWLDRAMSBGLMJW-LSDHHAIUSA-N 2 1 350.488 0.567 10 0 FCAEMP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654397084 492298034 /nfs/dbraw/zinc/29/80/34/492298034.db2.gz UWLDRAMSBGLMJW-LSDHHAIUSA-N 2 1 350.488 0.567 10 0 FCAEMP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654397084 492298035 /nfs/dbraw/zinc/29/80/35/492298035.db2.gz UWLDRAMSBGLMJW-LSDHHAIUSA-N 2 1 350.488 0.567 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](Cc2ccccc2)C1 ZINC000627446837 492298996 /nfs/dbraw/zinc/29/89/96/492298996.db2.gz VPIKZWKQRHBNFN-ROUUACIJSA-N 2 1 370.497 0.773 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](Cc2ccccc2)C1 ZINC000627446837 492298999 /nfs/dbraw/zinc/29/89/99/492298999.db2.gz VPIKZWKQRHBNFN-ROUUACIJSA-N 2 1 370.497 0.773 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000627453565 492301369 /nfs/dbraw/zinc/30/13/69/492301369.db2.gz QIYOUHQJVHYLCT-GOEBONIOSA-N 2 1 364.490 0.086 10 0 FCAEMP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc2c(c1)OCO2 ZINC000647517780 492302095 /nfs/dbraw/zinc/30/20/95/492302095.db2.gz CNHXXDBYIBFTNP-HNNXBMFYSA-N 2 1 352.431 0.591 10 0 FCAEMP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)COc1ccc2c(c1)OCO2 ZINC000647517781 492302183 /nfs/dbraw/zinc/30/21/83/492302183.db2.gz CNHXXDBYIBFTNP-OAHLLOKOSA-N 2 1 352.431 0.591 10 0 FCAEMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000647553099 492303597 /nfs/dbraw/zinc/30/35/97/492303597.db2.gz AWZLCFQRZCJABM-SMDDNHRTSA-N 2 1 350.385 0.184 10 0 FCAEMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000647553095 492303717 /nfs/dbraw/zinc/30/37/17/492303717.db2.gz AWZLCFQRZCJABM-BXUZGUMPSA-N 2 1 350.385 0.184 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627456991 492303946 /nfs/dbraw/zinc/30/39/46/492303946.db2.gz GAAJJOVNHYJTLD-BPKGMFCQSA-N 2 1 366.506 0.343 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627456991 492303948 /nfs/dbraw/zinc/30/39/48/492303948.db2.gz GAAJJOVNHYJTLD-BPKGMFCQSA-N 2 1 366.506 0.343 10 0 FCAEMP C[NH+](C)Cc1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1F ZINC000654447073 492305526 /nfs/dbraw/zinc/30/55/26/492305526.db2.gz OCBHPNZHBYWBER-JKSUJKDBSA-N 2 1 350.438 0.848 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000627462764 492305806 /nfs/dbraw/zinc/30/58/06/492305806.db2.gz CDXVRJLPIMFVKQ-DLBZAZTESA-N 2 1 368.522 0.452 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000647561877 492309941 /nfs/dbraw/zinc/30/99/41/492309941.db2.gz IGCBKTKAVCBCMN-CVEARBPZSA-N 2 1 366.506 0.251 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627480134 492315876 /nfs/dbraw/zinc/31/58/76/492315876.db2.gz LGOKLEZVKSVUAI-NXHRZFHOSA-N 2 1 358.486 0.976 10 0 FCAEMP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000627486742 492319188 /nfs/dbraw/zinc/31/91/88/492319188.db2.gz KLNLETDTYYLVLI-UHFFFAOYSA-N 2 1 362.474 0.203 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627498791 492323851 /nfs/dbraw/zinc/32/38/51/492323851.db2.gz NMPIVHOVYOGTEE-XYJFISCASA-N 2 1 358.486 0.976 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651082 492331102 /nfs/dbraw/zinc/33/11/02/492331102.db2.gz UFLCTNLLUPMGHT-ZACQAIPSSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651082 492331108 /nfs/dbraw/zinc/33/11/08/492331108.db2.gz UFLCTNLLUPMGHT-ZACQAIPSSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651082 492331111 /nfs/dbraw/zinc/33/11/11/492331111.db2.gz UFLCTNLLUPMGHT-ZACQAIPSSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651082 492331116 /nfs/dbraw/zinc/33/11/16/492331116.db2.gz UFLCTNLLUPMGHT-ZACQAIPSSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654681 492333171 /nfs/dbraw/zinc/33/31/71/492333171.db2.gz DENLKLRSTBQFAI-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654681 492333176 /nfs/dbraw/zinc/33/31/76/492333176.db2.gz DENLKLRSTBQFAI-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654681 492333178 /nfs/dbraw/zinc/33/31/78/492333178.db2.gz DENLKLRSTBQFAI-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654681 492333185 /nfs/dbraw/zinc/33/31/85/492333185.db2.gz DENLKLRSTBQFAI-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654571 492334210 /nfs/dbraw/zinc/33/42/10/492334210.db2.gz ALUYLSDUNIZKDA-NCOADZHNSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654571 492334213 /nfs/dbraw/zinc/33/42/13/492334213.db2.gz ALUYLSDUNIZKDA-NCOADZHNSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654571 492334217 /nfs/dbraw/zinc/33/42/17/492334217.db2.gz ALUYLSDUNIZKDA-NCOADZHNSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654571 492334222 /nfs/dbraw/zinc/33/42/22/492334222.db2.gz ALUYLSDUNIZKDA-NCOADZHNSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654656250 492334891 /nfs/dbraw/zinc/33/48/91/492334891.db2.gz ORRRMUWHQKFKJG-UUAJXVIYSA-N 2 1 356.511 0.581 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654656250 492334893 /nfs/dbraw/zinc/33/48/93/492334893.db2.gz ORRRMUWHQKFKJG-UUAJXVIYSA-N 2 1 356.511 0.581 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730571 492344028 /nfs/dbraw/zinc/34/40/28/492344028.db2.gz TXGLNHSNBWXJBQ-IAGOWNOFSA-N 2 1 365.522 0.809 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730571 492344029 /nfs/dbraw/zinc/34/40/29/492344029.db2.gz TXGLNHSNBWXJBQ-IAGOWNOFSA-N 2 1 365.522 0.809 10 0 FCAEMP CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642903119 492400108 /nfs/dbraw/zinc/40/01/08/492400108.db2.gz BYCWRYUCZIKEOY-MSOLQXFVSA-N 2 1 358.486 0.978 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000642928883 492404435 /nfs/dbraw/zinc/40/44/35/492404435.db2.gz LBBQAPRCKHQPHV-QZTJIDSGSA-N 2 1 358.486 0.978 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000642928885 492404654 /nfs/dbraw/zinc/40/46/54/492404654.db2.gz LBBQAPRCKHQPHV-ZWKOTPCHSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000643483975 492478115 /nfs/dbraw/zinc/47/81/15/492478115.db2.gz XGZUYRXYKRFNQM-CGTJXYLNSA-N 2 1 374.485 0.294 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000643525923 492491169 /nfs/dbraw/zinc/49/11/69/492491169.db2.gz IPCLAROLADQRMO-LVQVYYBASA-N 2 1 352.479 0.035 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970675 492500101 /nfs/dbraw/zinc/50/01/01/492500101.db2.gz KCLPWASYAGQLIR-BIYBGRMPSA-N 2 1 364.494 0.354 10 0 FCAEMP CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041964 492523544 /nfs/dbraw/zinc/52/35/44/492523544.db2.gz SFJIWFIRRVZSRX-JONQDZQNSA-N 2 1 354.495 0.201 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000656061070 492526000 /nfs/dbraw/zinc/52/60/00/492526000.db2.gz YNEHEMQPBXZPMR-KDURUIRLSA-N 2 1 372.513 0.830 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531660 /nfs/dbraw/zinc/53/16/60/492531660.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 1 366.506 0.295 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069749 492531664 /nfs/dbraw/zinc/53/16/64/492531664.db2.gz OHJUZMIKAAQGDF-LJIGWXMPSA-N 2 1 366.506 0.295 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000656082854 492543180 /nfs/dbraw/zinc/54/31/80/492543180.db2.gz VGGRMRMDUHYWFL-ZACQAIPSSA-N 2 1 368.522 0.402 10 0 FCAEMP 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ZINC000623600730 492572360 /nfs/dbraw/zinc/57/23/60/492572360.db2.gz ZPJZWTCVWIBGQM-OAHLLOKOSA-N 2 1 363.510 0.865 10 0 FCAEMP C[NH+]1CCN(C(=O)CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000649749491 492579517 /nfs/dbraw/zinc/57/95/17/492579517.db2.gz SNZCEZJHKCKLBS-VQTJNVASSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH+]1CCN(C(=O)CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000649749491 492579522 /nfs/dbraw/zinc/57/95/22/492579522.db2.gz SNZCEZJHKCKLBS-VQTJNVASSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000629569402 492647742 /nfs/dbraw/zinc/64/77/42/492647742.db2.gz BWFYRUGVKPDMND-UHFFFAOYSA-N 2 1 354.520 0.560 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000629569402 492647745 /nfs/dbraw/zinc/64/77/45/492647745.db2.gz BWFYRUGVKPDMND-UHFFFAOYSA-N 2 1 354.520 0.560 10 0 FCAEMP O=C(c1ccccc1)N1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)N2CC[C@H]1C2 ZINC000629573552 492650870 /nfs/dbraw/zinc/65/08/70/492650870.db2.gz 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C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625466438 492789281 /nfs/dbraw/zinc/78/92/81/492789281.db2.gz SXJJUZMNDFHJPR-KRWDZBQOSA-N 3 1 367.538 0.071 10 0 FCAEMP CCc1ccc([C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000631909363 492875704 /nfs/dbraw/zinc/87/57/04/492875704.db2.gz BZDHYAAKSDAHRB-SJORKVTESA-N 2 1 355.504 0.760 10 0 FCAEMP CC[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631912238 492878114 /nfs/dbraw/zinc/87/81/14/492878114.db2.gz YTJAVBSUJOFJDS-ROUUACIJSA-N 2 1 367.515 0.731 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631920261 492885196 /nfs/dbraw/zinc/88/51/96/492885196.db2.gz VSIOAZXZMLDHCR-IXDOHACOSA-N 2 1 359.536 0.891 10 0 FCAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645272583 492886612 /nfs/dbraw/zinc/88/66/12/492886612.db2.gz JGKOOESDYIVYAL-HZPDHXFCSA-N 2 1 353.511 0.726 10 0 FCAEMP C[NH2+]CCOCCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000625852719 492894553 /nfs/dbraw/zinc/89/45/53/492894553.db2.gz SXGRSURMYDGYPN-INIZCTEOSA-N 2 1 363.462 0.494 10 0 FCAEMP C[NH2+]CCOCCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000625852719 492894557 /nfs/dbraw/zinc/89/45/57/492894557.db2.gz SXGRSURMYDGYPN-INIZCTEOSA-N 2 1 363.462 0.494 10 0 FCAEMP [NH3+]C1(CC(=O)N2CCN3C(=O)NC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000638045592 492895558 /nfs/dbraw/zinc/89/55/58/492895558.db2.gz ZXXPNNUARXUYMB-KRWDZBQOSA-N 2 1 371.485 0.606 10 0 FCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000638429558 492945898 /nfs/dbraw/zinc/94/58/98/492945898.db2.gz KHIBVEJSAPCWSN-WSTZPKSXSA-N 2 1 360.502 0.686 10 0 FCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000638429558 492945899 /nfs/dbraw/zinc/94/58/99/492945899.db2.gz KHIBVEJSAPCWSN-WSTZPKSXSA-N 2 1 360.502 0.686 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658576757 492964574 /nfs/dbraw/zinc/96/45/74/492964574.db2.gz JOEOXANYHKEKFR-MRXNPFEDSA-N 2 1 368.522 0.281 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658576757 492964577 /nfs/dbraw/zinc/96/45/77/492964577.db2.gz JOEOXANYHKEKFR-MRXNPFEDSA-N 2 1 368.522 0.281 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658576757 492964580 /nfs/dbraw/zinc/96/45/80/492964580.db2.gz JOEOXANYHKEKFR-MRXNPFEDSA-N 2 1 368.522 0.281 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000652612437 492970944 /nfs/dbraw/zinc/97/09/44/492970944.db2.gz ROFWRIKUNBIDGZ-UHFFFAOYSA-N 2 1 363.510 0.783 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000658608191 492979844 /nfs/dbraw/zinc/97/98/44/492979844.db2.gz YHHLLSHMVURTMY-MRXNPFEDSA-N 2 1 366.506 0.299 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000658608191 492979847 /nfs/dbraw/zinc/97/98/47/492979847.db2.gz YHHLLSHMVURTMY-MRXNPFEDSA-N 2 1 366.506 0.299 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658620535 492983605 /nfs/dbraw/zinc/98/36/05/492983605.db2.gz QTYMSLVQQWHSSO-UHFFFAOYSA-N 2 1 360.458 0.780 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658624379 492985103 /nfs/dbraw/zinc/98/51/03/492985103.db2.gz NBIRMVLUNBHUGG-BRWVUGGUSA-N 2 1 368.522 0.497 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000652680921 492987917 /nfs/dbraw/zinc/98/79/17/492987917.db2.gz VGAHOCSTKKRHCY-UHFFFAOYSA-N 2 1 374.485 0.380 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000652684391 492989750 /nfs/dbraw/zinc/98/97/50/492989750.db2.gz MTQRWLAWCLFJHF-KRWDZBQOSA-N 2 1 358.486 0.870 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652683422 492989808 /nfs/dbraw/zinc/98/98/08/492989808.db2.gz NNIUZIRGFGLYNO-GVDBMIGSSA-N 2 1 368.522 0.579 10 0 FCAEMP 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ZINC000626805335 493022493 /nfs/dbraw/zinc/02/24/93/493022493.db2.gz HNQWADIHYSEBNK-INIZCTEOSA-N 2 1 360.458 0.906 10 0 FCAEMP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000632550220 493027233 /nfs/dbraw/zinc/02/72/33/493027233.db2.gz SHORAHYGEVDWCP-KRWDZBQOSA-N 2 1 355.504 0.624 10 0 FCAEMP CC1([NH+]2CCOCC2)CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632597314 493041519 /nfs/dbraw/zinc/04/15/19/493041519.db2.gz OMRFMFICXXXDRI-UHFFFAOYSA-N 2 1 359.536 0.989 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000658802469 493059747 /nfs/dbraw/zinc/05/97/47/493059747.db2.gz KIJQWRHKICMKDT-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCOC ZINC000658802469 493059748 /nfs/dbraw/zinc/05/97/48/493059748.db2.gz KIJQWRHKICMKDT-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCOC ZINC000658802469 493059750 /nfs/dbraw/zinc/05/97/50/493059750.db2.gz KIJQWRHKICMKDT-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000658802469 493059751 /nfs/dbraw/zinc/05/97/51/493059751.db2.gz KIJQWRHKICMKDT-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658807702 493064089 /nfs/dbraw/zinc/06/40/89/493064089.db2.gz QUWKXNIMJRAVML-OAHLLOKOSA-N 2 1 354.495 0.108 10 0 FCAEMP [NH3+]CC1(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000626941883 493068269 /nfs/dbraw/zinc/06/82/69/493068269.db2.gz GHSGWXWUMOIMCH-UHFFFAOYSA-N 2 1 362.474 0.826 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000626942187 493068595 /nfs/dbraw/zinc/06/85/95/493068595.db2.gz KMSPAPJJDDGYBP-UHFFFAOYSA-N 2 1 350.463 0.554 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820405 493068578 /nfs/dbraw/zinc/06/85/78/493068578.db2.gz DGOUVZHWZKUVAV-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658823705 493070226 /nfs/dbraw/zinc/07/02/26/493070226.db2.gz DQZZIUJYWFVFLY-HOTGVXAUSA-N 2 1 368.522 0.233 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658823705 493070230 /nfs/dbraw/zinc/07/02/30/493070230.db2.gz DQZZIUJYWFVFLY-HOTGVXAUSA-N 2 1 368.522 0.233 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658823705 493070234 /nfs/dbraw/zinc/07/02/34/493070234.db2.gz DQZZIUJYWFVFLY-HOTGVXAUSA-N 2 1 368.522 0.233 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000658823705 493070236 /nfs/dbraw/zinc/07/02/36/493070236.db2.gz DQZZIUJYWFVFLY-HOTGVXAUSA-N 2 1 368.522 0.233 10 0 FCAEMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124976 493076583 /nfs/dbraw/zinc/07/65/83/493076583.db2.gz NYHARDQSSLUJHG-FPOVZHCZSA-N 2 1 372.513 0.547 10 0 FCAEMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000627115756 493089932 /nfs/dbraw/zinc/08/99/32/493089932.db2.gz XGWGPCIHJTZNAE-NJAFHUGGSA-N 2 1 362.474 0.507 10 0 FCAEMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127515 493092260 /nfs/dbraw/zinc/09/22/60/493092260.db2.gz FUTFKCGUIOSMBB-MSOLQXFVSA-N 2 1 358.486 0.989 10 0 FCAEMP CN(C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627150483 493096404 /nfs/dbraw/zinc/09/64/04/493096404.db2.gz LSDSDOQDIVYINP-MRXNPFEDSA-N 3 1 353.511 0.304 10 0 FCAEMP CN(C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627150483 493096407 /nfs/dbraw/zinc/09/64/07/493096407.db2.gz LSDSDOQDIVYINP-MRXNPFEDSA-N 2 1 353.511 0.304 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000627175532 493100490 /nfs/dbraw/zinc/10/04/90/493100490.db2.gz UBJGVMQXBDOVKX-ZWKOTPCHSA-N 2 1 364.490 0.405 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000627176622 493100528 /nfs/dbraw/zinc/10/05/28/493100528.db2.gz ZRSOCFPGDGAPBV-UHFFFAOYSA-N 2 1 363.506 0.686 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cn2cc[nH+]c12 ZINC000646819885 493103974 /nfs/dbraw/zinc/10/39/74/493103974.db2.gz PSOZCDDDAKZODQ-ZDUSSCGKSA-N 2 1 372.429 0.160 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627197230 493106008 /nfs/dbraw/zinc/10/60/08/493106008.db2.gz ZMRVWOGWJPPXOY-GDBMZVCRSA-N 2 1 351.495 0.323 10 0 FCAEMP [NH3+]CCCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000627214353 493109030 /nfs/dbraw/zinc/10/90/30/493109030.db2.gz JYESLYNUWZLNOP-ROUUACIJSA-N 2 1 364.490 0.534 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658926702 493112108 /nfs/dbraw/zinc/11/21/08/493112108.db2.gz GKMRZZFSAAIQDQ-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000659024482 493126787 /nfs/dbraw/zinc/12/67/87/493126787.db2.gz DUPQOAQCIHZEKP-CABCVRRESA-N 2 1 373.423 0.991 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000659024482 493126791 /nfs/dbraw/zinc/12/67/91/493126791.db2.gz DUPQOAQCIHZEKP-CABCVRRESA-N 2 1 373.423 0.991 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccccc1 ZINC000627297318 493138990 /nfs/dbraw/zinc/13/89/90/493138990.db2.gz HJWZLFIWWBVQJB-BBWFWOEESA-N 2 1 356.470 0.949 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071092 493139104 /nfs/dbraw/zinc/13/91/04/493139104.db2.gz FMSQPYCKCYLXQR-KSSFIOAISA-N 2 1 372.469 0.887 10 0 FCAEMP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659072197 493139509 /nfs/dbraw/zinc/13/95/09/493139509.db2.gz XAMDYMHZKZNPJY-QGZVFWFLSA-N 2 1 360.458 0.840 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000627303937 493143259 /nfs/dbraw/zinc/14/32/59/493143259.db2.gz HNXFFVYUKWOBIX-OAHLLOKOSA-N 2 1 362.474 0.247 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319210 493150129 /nfs/dbraw/zinc/15/01/29/493150129.db2.gz MWCYTALDHNDLSZ-LJISPDSOSA-N 2 1 354.495 0.247 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319210 493150134 /nfs/dbraw/zinc/15/01/34/493150134.db2.gz MWCYTALDHNDLSZ-LJISPDSOSA-N 2 1 354.495 0.247 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627328963 493156353 /nfs/dbraw/zinc/15/63/53/493156353.db2.gz UWRGHUIJXUSTEB-HNNXBMFYSA-N 2 1 354.495 0.095 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334496 493158740 /nfs/dbraw/zinc/15/87/40/493158740.db2.gz SJHOUNIDLPMXPS-MRXNPFEDSA-N 2 1 354.495 0.252 10 0 FCAEMP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627337024 493159481 /nfs/dbraw/zinc/15/94/81/493159481.db2.gz QOWGUBJWAMJZSP-QGZVFWFLSA-N 2 1 362.474 0.249 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CCC(F)(F)F ZINC000627336457 493159743 /nfs/dbraw/zinc/15/97/43/493159743.db2.gz AOHMPECQYUKXEL-NWDGAFQWSA-N 2 1 352.401 0.634 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CCC(F)(F)F ZINC000627336457 493159745 /nfs/dbraw/zinc/15/97/45/493159745.db2.gz AOHMPECQYUKXEL-NWDGAFQWSA-N 2 1 352.401 0.634 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627336562 493159941 /nfs/dbraw/zinc/15/99/41/493159941.db2.gz DGDAOOZSBRNERL-QGZVFWFLSA-N 2 1 374.485 0.391 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627357044 493174943 /nfs/dbraw/zinc/17/49/43/493174943.db2.gz WHBNIWATWHCOHG-CWLKWCNXSA-N 2 1 358.486 0.880 10 0 FCAEMP C[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000627357595 493175085 /nfs/dbraw/zinc/17/50/85/493175085.db2.gz KJZMGRWKHVTJEG-UHFFFAOYSA-N 2 1 354.495 0.381 10 0 FCAEMP COc1ncncc1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000647195829 493176667 /nfs/dbraw/zinc/17/66/67/493176667.db2.gz FPWIRFPKIWMSFD-KRWDZBQOSA-N 2 1 357.458 0.864 10 0 FCAEMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824687 493185430 /nfs/dbraw/zinc/18/54/30/493185430.db2.gz XKFLPTDNCXZZCI-YSIASYRMSA-N 2 1 372.513 0.643 10 0 FCAEMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824687 493185437 /nfs/dbraw/zinc/18/54/37/493185437.db2.gz XKFLPTDNCXZZCI-YSIASYRMSA-N 2 1 372.513 0.643 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828414 493186879 /nfs/dbraw/zinc/18/68/79/493186879.db2.gz NNAFYLIXQJKBAL-RSPOEFSDSA-N 2 1 372.513 0.516 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000627394108 493200509 /nfs/dbraw/zinc/20/05/09/493200509.db2.gz XMXQQTXIQHJCTM-JKSUJKDBSA-N 2 1 350.438 0.630 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659609695 493219875 /nfs/dbraw/zinc/21/98/75/493219875.db2.gz LACFOODBVCAUBL-MRXNPFEDSA-N 2 1 353.511 0.761 10 0 FCAEMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000659626074 493222017 /nfs/dbraw/zinc/22/20/17/493222017.db2.gz CRSRDJWHLYQSBP-MRXNPFEDSA-N 2 1 353.511 0.713 10 0 FCAEMP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666945953 493240474 /nfs/dbraw/zinc/24/04/74/493240474.db2.gz MLVMRYKIMOQALZ-HZPDHXFCSA-N 2 1 354.495 0.243 10 0 FCAEMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666945953 493240476 /nfs/dbraw/zinc/24/04/76/493240476.db2.gz MLVMRYKIMOQALZ-HZPDHXFCSA-N 2 1 354.495 0.243 10 0 FCAEMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000659675162 493245463 /nfs/dbraw/zinc/24/54/63/493245463.db2.gz ZWLCSRSKCQRQPP-UHFFFAOYSA-N 2 1 364.490 0.006 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCOCC1 ZINC000659685073 493252145 /nfs/dbraw/zinc/25/21/45/493252145.db2.gz MBZVRQVFXXKGPC-RCDNUKIMSA-N 2 1 366.506 0.189 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000659691774 493256223 /nfs/dbraw/zinc/25/62/23/493256223.db2.gz SNHWECHYCMUXTG-KBRIMQKVSA-N 2 1 362.449 0.447 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000659691774 493256225 /nfs/dbraw/zinc/25/62/25/493256225.db2.gz SNHWECHYCMUXTG-KBRIMQKVSA-N 2 1 362.449 0.447 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000659702285 493262795 /nfs/dbraw/zinc/26/27/95/493262795.db2.gz ODFDDSBZEPPKNN-GOEBONIOSA-N 2 1 350.507 0.824 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659704736 493263622 /nfs/dbraw/zinc/26/36/22/493263622.db2.gz SMEHGTRCXVANBP-KRWDZBQOSA-N 2 1 368.522 0.309 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672901463 493264566 /nfs/dbraw/zinc/26/45/66/493264566.db2.gz QMHRRYNYCPYQEV-ZWKOTPCHSA-N 2 1 352.523 0.774 10 0 FCAEMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672901463 493264570 /nfs/dbraw/zinc/26/45/70/493264570.db2.gz QMHRRYNYCPYQEV-ZWKOTPCHSA-N 2 1 352.523 0.774 10 0 FCAEMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000672901463 493264574 /nfs/dbraw/zinc/26/45/74/493264574.db2.gz QMHRRYNYCPYQEV-ZWKOTPCHSA-N 2 1 352.523 0.774 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[N@H+]1Cc1ccccc1 ZINC000659707584 493265423 /nfs/dbraw/zinc/26/54/23/493265423.db2.gz YINOXIQOZZLUJX-UVYBKSOCSA-N 2 1 356.470 0.715 10 0 FCAEMP [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659714353 493268572 /nfs/dbraw/zinc/26/85/72/493268572.db2.gz MBJYPYUDSJSRJQ-QDIHITRGSA-N 2 1 364.490 0.132 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]1 ZINC000659722251 493272144 /nfs/dbraw/zinc/27/21/44/493272144.db2.gz MZFYBJWPJQUVTD-KLHDSHLOSA-N 2 1 364.490 0.003 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000659727210 493274182 /nfs/dbraw/zinc/27/41/82/493274182.db2.gz IXFBQWOBEVKYIO-ITNKIWFMSA-N 2 1 362.518 0.857 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000668512066 493367732 /nfs/dbraw/zinc/36/77/32/493367732.db2.gz NJOYQRMLMJGZHW-HNNXBMFYSA-N 2 1 354.495 0.204 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000668537291 493372826 /nfs/dbraw/zinc/37/28/26/493372826.db2.gz DYBFRJUEPBYOAF-MRXNPFEDSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668549300 493374847 /nfs/dbraw/zinc/37/48/47/493374847.db2.gz WWHNONRPRUYMBK-RDJZCZTQSA-N 2 1 366.506 0.156 10 0 FCAEMP CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000668733615 493403724 /nfs/dbraw/zinc/40/37/24/493403724.db2.gz ZWBRHWJCFPTCQA-KRWDZBQOSA-N 2 1 360.506 0.965 10 0 FCAEMP CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668733615 493403729 /nfs/dbraw/zinc/40/37/29/493403729.db2.gz ZWBRHWJCFPTCQA-KRWDZBQOSA-N 2 1 360.506 0.965 10 0 FCAEMP c1cn(C[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146499 493412856 /nfs/dbraw/zinc/41/28/56/493412856.db2.gz UCLKNZIQXATEOJ-QZTJIDSGSA-N 2 1 358.494 0.994 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000668796690 493412977 /nfs/dbraw/zinc/41/29/77/493412977.db2.gz ZRWCRSPPLFSWLW-GOEBONIOSA-N 2 1 354.495 0.155 10 0 FCAEMP COC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCOCC1 ZINC000661159089 493414341 /nfs/dbraw/zinc/41/43/41/493414341.db2.gz DPZFGXGQZFRALB-QZTJIDSGSA-N 2 1 371.522 0.491 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000668826516 493416082 /nfs/dbraw/zinc/41/60/82/493416082.db2.gz DSXKLTLNKSKNDO-SJORKVTESA-N 2 1 366.506 0.156 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CCN(C)C1 ZINC000668891942 493429518 /nfs/dbraw/zinc/42/95/18/493429518.db2.gz VPAQPROPSZRRBX-BRWVUGGUSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000669144732 493468146 /nfs/dbraw/zinc/46/81/46/493468146.db2.gz UKBNPDSDDSCONM-ZBFHGGJFSA-N 2 1 368.522 0.137 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000669250345 493482562 /nfs/dbraw/zinc/48/25/62/493482562.db2.gz JEYSIIMHKVKHOG-HOTGVXAUSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000669250345 493482564 /nfs/dbraw/zinc/48/25/64/493482564.db2.gz JEYSIIMHKVKHOG-HOTGVXAUSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000669250345 493482567 /nfs/dbraw/zinc/48/25/67/493482567.db2.gz JEYSIIMHKVKHOG-HOTGVXAUSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000669289351 493490184 /nfs/dbraw/zinc/49/01/84/493490184.db2.gz ZWZAALQTMHLDSW-QGZVFWFLSA-N 2 1 368.522 0.545 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000669424720 493502926 /nfs/dbraw/zinc/50/29/26/493502926.db2.gz MJIALBIVIWDPFD-UHFFFAOYSA-N 2 1 351.499 0.592 10 0 FCAEMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000662296105 493504558 /nfs/dbraw/zinc/50/45/58/493504558.db2.gz VYAWGTAPNCLQCU-QGZVFWFLSA-N 2 1 350.507 0.827 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662450981 493516855 /nfs/dbraw/zinc/51/68/55/493516855.db2.gz XLKHWHFIDKXLTG-HOTGVXAUSA-N 2 1 360.506 0.729 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000662744994 493536522 /nfs/dbraw/zinc/53/65/22/493536522.db2.gz SMLDFZDCSVIVPQ-LJQANCHMSA-N 2 1 373.545 0.603 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000662744994 493536525 /nfs/dbraw/zinc/53/65/25/493536525.db2.gz SMLDFZDCSVIVPQ-LJQANCHMSA-N 2 1 373.545 0.603 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662753360 493538482 /nfs/dbraw/zinc/53/84/82/493538482.db2.gz YUGDHDYBBSYEMB-IRXDYDNUSA-N 2 1 360.458 0.305 10 0 FCAEMP [NH3+]CCCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000662859745 493547382 /nfs/dbraw/zinc/54/73/82/493547382.db2.gz OAEZNZNTFRANDT-MRXNPFEDSA-N 2 1 358.446 0.124 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000662926832 493554318 /nfs/dbraw/zinc/55/43/18/493554318.db2.gz SSAQCRLBHHAEDA-UHFFFAOYSA-N 2 1 362.499 0.385 10 0 FCAEMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@@H](C)O1 ZINC000662927749 493555162 /nfs/dbraw/zinc/55/51/62/493555162.db2.gz HGDSINFHBMEJFP-SVZJZCNZSA-N 2 1 364.490 0.036 10 0 FCAEMP CN(C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662930092 493555571 /nfs/dbraw/zinc/55/55/71/493555571.db2.gz MHQAAEXWMDBPEX-WMZOPIPTSA-N 2 1 362.518 0.920 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000662941197 493557588 /nfs/dbraw/zinc/55/75/88/493557588.db2.gz TZBDXKMMFPNITB-GOSISDBHSA-N 2 1 362.474 0.802 10 0 FCAEMP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013535 493566101 /nfs/dbraw/zinc/56/61/01/493566101.db2.gz DCVGBFBMHAUMJM-OCCSQVGLSA-N 2 1 350.492 0.188 10 0 FCAEMP Cc1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1 ZINC000670435906 493566695 /nfs/dbraw/zinc/56/66/95/493566695.db2.gz IFKLKHLBZOIDIS-CQSZACIVSA-N 2 1 363.462 0.226 10 0 FCAEMP O=C(NCCC[NH+]1CCOCC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000663404637 493587499 /nfs/dbraw/zinc/58/74/99/493587499.db2.gz IZAXJFUSPCKGNY-UHFFFAOYSA-N 2 1 368.522 0.899 10 0 FCAEMP CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000664051029 493632150 /nfs/dbraw/zinc/63/21/50/493632150.db2.gz ICECDGVHLNJQAW-INIZCTEOSA-N 2 1 353.511 0.665 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2cc(S(N)(=O)=O)ccc2[nH]1 ZINC000664195339 493644220 /nfs/dbraw/zinc/64/42/20/493644220.db2.gz LXTUCMYPBLHLQC-LBPRGKRZSA-N 2 1 368.507 0.894 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000664449659 493660488 /nfs/dbraw/zinc/66/04/88/493660488.db2.gz ZSGRVPKLAAAUDH-ZWKOTPCHSA-N 2 1 369.554 0.813 10 0 FCAEMP CN(CCC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1cc[nH+]cc1 ZINC000679408019 493678782 /nfs/dbraw/zinc/67/87/82/493678782.db2.gz VNBHYZGEWPDHGL-QGZVFWFLSA-N 2 1 359.474 0.849 10 0 FCAEMP CCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000665127089 493701284 /nfs/dbraw/zinc/70/12/84/493701284.db2.gz CIOVNJARTVNCOP-KRWDZBQOSA-N 2 1 367.538 0.519 10 0 FCAEMP C[NH+](C)CCCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000680360455 493714889 /nfs/dbraw/zinc/71/48/89/493714889.db2.gz CTDFCWIDPQPFDG-INIZCTEOSA-N 2 1 359.536 0.686 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000665636745 493728726 /nfs/dbraw/zinc/72/87/26/493728726.db2.gz IDOVYYPIIVLXGA-INIZCTEOSA-N 2 1 363.510 0.580 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000665636745 493728728 /nfs/dbraw/zinc/72/87/28/493728728.db2.gz IDOVYYPIIVLXGA-INIZCTEOSA-N 2 1 363.510 0.580 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000665762302 493734177 /nfs/dbraw/zinc/73/41/77/493734177.db2.gz AAAMLFVCKFIMCU-ULQDDVLXSA-N 2 1 355.527 0.373 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000665762302 493734179 /nfs/dbraw/zinc/73/41/79/493734179.db2.gz AAAMLFVCKFIMCU-ULQDDVLXSA-N 2 1 355.527 0.373 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000672103257 493735943 /nfs/dbraw/zinc/73/59/43/493735943.db2.gz CLJNKVGLOGBVIC-PRLABOORSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672103257 493735946 /nfs/dbraw/zinc/73/59/46/493735946.db2.gz CLJNKVGLOGBVIC-PRLABOORSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000665763102 493736010 /nfs/dbraw/zinc/73/60/10/493736010.db2.gz YUTFFFLVBPIIJR-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000665763102 493736011 /nfs/dbraw/zinc/73/60/11/493736011.db2.gz YUTFFFLVBPIIJR-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000665763210 493736061 /nfs/dbraw/zinc/73/60/61/493736061.db2.gz ZXLFMVJKJRRMKP-BQFCYCMXSA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000665763210 493736062 /nfs/dbraw/zinc/73/60/62/493736062.db2.gz ZXLFMVJKJRRMKP-BQFCYCMXSA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672103256 493736095 /nfs/dbraw/zinc/73/60/95/493736095.db2.gz CLJNKVGLOGBVIC-LMPOIIKSSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672103256 493736096 /nfs/dbraw/zinc/73/60/96/493736096.db2.gz CLJNKVGLOGBVIC-LMPOIIKSSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000665764134 493736553 /nfs/dbraw/zinc/73/65/53/493736553.db2.gz VVIBYFOQWPDLOQ-WNRNVDISSA-N 2 1 370.538 0.830 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000665764134 493736555 /nfs/dbraw/zinc/73/65/55/493736555.db2.gz VVIBYFOQWPDLOQ-WNRNVDISSA-N 2 1 370.538 0.830 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672165351 493739188 /nfs/dbraw/zinc/73/91/88/493739188.db2.gz IZFBSOMTSLOOSB-HZPDHXFCSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672304784 493751893 /nfs/dbraw/zinc/75/18/93/493751893.db2.gz LPCUMWZGWCAJMM-UXLLHSPISA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304784 493751895 /nfs/dbraw/zinc/75/18/95/493751895.db2.gz LPCUMWZGWCAJMM-UXLLHSPISA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304784 493751896 /nfs/dbraw/zinc/75/18/96/493751896.db2.gz LPCUMWZGWCAJMM-UXLLHSPISA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000666213626 493762186 /nfs/dbraw/zinc/76/21/86/493762186.db2.gz HTUSSSASKUOXCC-AWEZNQCLSA-N 2 1 367.498 0.365 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000666213626 493762187 /nfs/dbraw/zinc/76/21/87/493762187.db2.gz HTUSSSASKUOXCC-AWEZNQCLSA-N 2 1 367.498 0.365 10 0 FCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)[C@H](C)C1 ZINC000410731990 527819382 /nfs/dbraw/zinc/81/93/82/527819382.db2.gz RCMXOJYZZGUDLZ-NCOADZHNSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)[C@H](C)C1 ZINC000410731990 527819387 /nfs/dbraw/zinc/81/93/87/527819387.db2.gz RCMXOJYZZGUDLZ-NCOADZHNSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[C@H](C)C1 ZINC000410731990 527819395 /nfs/dbraw/zinc/81/93/95/527819395.db2.gz RCMXOJYZZGUDLZ-NCOADZHNSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)[C@H](C)C1 ZINC000410731990 527819399 /nfs/dbraw/zinc/81/93/99/527819399.db2.gz RCMXOJYZZGUDLZ-NCOADZHNSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[NH2+]CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000415363307 535463984 /nfs/dbraw/zinc/46/39/84/535463984.db2.gz DJVBBSZTMAKZBC-GJZGRUSLSA-N 2 1 362.474 0.960 10 0 FCAEMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1Br ZINC000415337022 536013293 /nfs/dbraw/zinc/01/32/93/536013293.db2.gz RYCPDAPXMNTYSF-GFCCVEGCSA-N 2 1 369.263 0.927 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419904685 536354949 /nfs/dbraw/zinc/35/49/49/536354949.db2.gz XWDODXYIYYQQNC-YESZJQIVSA-N 2 1 365.522 0.001 10 0 FCAEMP 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0.250 10 0 FCAEMP COC(=O)CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CCOCC1 ZINC000903899674 675981283 /nfs/dbraw/zinc/98/12/83/675981283.db2.gz WDPCLFZFDFNJCT-HNNXBMFYSA-N 2 1 352.479 0.890 10 0 FCAEMP CCCN(CCC)C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549366 672135874 /nfs/dbraw/zinc/13/58/74/672135874.db2.gz BKSADMRAZVFMKC-CVEARBPZSA-N 2 1 352.479 0.892 10 0 FCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C)C(C)(C)CC3)CC[C@@H]21 ZINC000867741370 672360785 /nfs/dbraw/zinc/36/07/85/672360785.db2.gz BMVQQYUFLBEXOH-HOTGVXAUSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C(C)(C)CC3)CC[C@@H]21 ZINC000867741370 672360788 /nfs/dbraw/zinc/36/07/88/672360788.db2.gz BMVQQYUFLBEXOH-HOTGVXAUSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+](C)C(C)(C)CC3)CC[C@@H]21 ZINC000867741370 672360789 /nfs/dbraw/zinc/36/07/89/672360789.db2.gz BMVQQYUFLBEXOH-HOTGVXAUSA-N 2 1 350.507 0.872 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC1(C)C ZINC000867742448 672360968 /nfs/dbraw/zinc/36/09/68/672360968.db2.gz MXTJZZXLHOUENC-MRXNPFEDSA-N 2 1 350.507 0.873 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1(C)C ZINC000868403943 672398732 /nfs/dbraw/zinc/39/87/32/672398732.db2.gz BDJKGUQAVNMQKF-HZPDHXFCSA-N 2 1 350.507 0.777 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1(C)C ZINC000868404378 672398741 /nfs/dbraw/zinc/39/87/41/672398741.db2.gz FDGIANDERDCBJI-UHFFFAOYSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000872190714 672599484 /nfs/dbraw/zinc/59/94/84/672599484.db2.gz FBILOXUJMCQEQH-AVGNSLFASA-N 2 1 364.412 0.382 10 0 FCAEMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1C(F)(F)F ZINC000872190591 672599601 /nfs/dbraw/zinc/59/96/01/672599601.db2.gz RLMFVOUQVSVQDT-WCQYABFASA-N 2 1 362.396 0.279 10 0 FCAEMP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCNS(C)(=O)=O)C2)ccn1 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CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)CC[NH+]1C ZINC001266455924 1168471151 /nfs/dbraw/zinc/47/11/51/1168471151.db2.gz NUIRIPOCQLPDHU-QLFBSQMISA-N 2 1 367.494 0.082 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266787075 1170522003 /nfs/dbraw/zinc/52/20/03/1170522003.db2.gz SSGISTHQPJBKSR-RBSFLKMASA-N 2 1 367.494 0.001 10 0 FCAEMP C[C@H]([NH2+]CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267185772 1172066586 /nfs/dbraw/zinc/06/65/86/1172066586.db2.gz SAKGFQROOGVJCL-ZMSDIMECSA-N 2 1 365.522 0.569 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897669362 1192840321 /nfs/dbraw/zinc/84/03/21/1192840321.db2.gz RWTORAWBVDLEKC-DOTOQJQBSA-N 2 1 371.485 0.719 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000897883372 1192849561 /nfs/dbraw/zinc/84/95/61/1192849561.db2.gz CITYKAVALZGWGX-CGTJXYLNSA-N 2 1 358.486 0.976 10 0 FCAEMP 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FCAEMP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)on2)cn1 ZINC000866712745 1210005044 /nfs/dbraw/zinc/00/50/44/1210005044.db2.gz WIBMARVIERVKAH-MAZHCROVSA-N 2 1 358.402 0.442 10 0 FCAEMP Cn1cc(-c2cc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)on2)cn1 ZINC000866712745 1210005048 /nfs/dbraw/zinc/00/50/48/1210005048.db2.gz WIBMARVIERVKAH-MAZHCROVSA-N 2 1 358.402 0.442 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCO1 ZINC000867639848 1210019937 /nfs/dbraw/zinc/01/99/37/1210019937.db2.gz DDPFPORSEMUVHK-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000867741621 1210026971 /nfs/dbraw/zinc/02/69/71/1210026971.db2.gz KCLJYCBEIPDWIQ-UHFFFAOYSA-N 2 1 369.554 0.271 10 0 FCAEMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867741621 1210026974 /nfs/dbraw/zinc/02/69/74/1210026974.db2.gz KCLJYCBEIPDWIQ-UHFFFAOYSA-N 2 1 369.554 0.271 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)N2CCC(OCCC[NH2+]CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001276164599 1211368963 /nfs/dbraw/zinc/36/89/63/1211368963.db2.gz NYAITZHIPQRXMI-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000926318578 1211530173 /nfs/dbraw/zinc/53/01/73/1211530173.db2.gz AVNJEYGQRMSVKR-HHARLNAUSA-N 2 1 366.506 0.140 10 0 FCAEMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926441609 1211548763 /nfs/dbraw/zinc/54/87/63/1211548763.db2.gz CVEMDGPSSNJTES-IBGZPJMESA-N 2 1 367.538 0.073 10 0 FCAEMP CN(CCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)CC[NH+](C)C ZINC000926441609 1211548765 /nfs/dbraw/zinc/54/87/65/1211548765.db2.gz CVEMDGPSSNJTES-IBGZPJMESA-N 2 1 367.538 0.073 10 0 FCAEMP CCO[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000926842803 1211557068 /nfs/dbraw/zinc/55/70/68/1211557068.db2.gz SKVLVVTYGKJGBG-ROUUACIJSA-N 2 1 369.554 0.763 10 0 FCAEMP 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CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000929169751 1211620925 /nfs/dbraw/zinc/62/09/25/1211620925.db2.gz ZEQZEABRRXRZDX-DLBZAZTESA-N 2 1 366.506 0.033 10 0 FCAEMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929244753 1211625464 /nfs/dbraw/zinc/62/54/64/1211625464.db2.gz MOSRVRJOCCNQBW-IAGOWNOFSA-N 2 1 366.506 0.036 10 0 FCAEMP C[NH+]1CCC2(CCN2C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000929397555 1211635405 /nfs/dbraw/zinc/63/54/05/1211635405.db2.gz AUJXDUAOKQNDOE-UHFFFAOYSA-N 2 1 370.497 0.858 10 0 FCAEMP C[NH+]1CCC2(CCN2C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000929397555 1211635406 /nfs/dbraw/zinc/63/54/06/1211635406.db2.gz AUJXDUAOKQNDOE-UHFFFAOYSA-N 2 1 370.497 0.858 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000929398926 1211635563 /nfs/dbraw/zinc/63/55/63/1211635563.db2.gz BZQHRZOLSBQKBG-DOTOQJQBSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000929398926 1211635567 /nfs/dbraw/zinc/63/55/67/1211635567.db2.gz BZQHRZOLSBQKBG-DOTOQJQBSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000929398926 1211635572 /nfs/dbraw/zinc/63/55/72/1211635572.db2.gz BZQHRZOLSBQKBG-DOTOQJQBSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000929570087 1211647838 /nfs/dbraw/zinc/64/78/38/1211647838.db2.gz VQJAAQRZKINGPJ-BZSNNMDCSA-N 2 1 373.501 0.934 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCCCC1 ZINC000929604177 1211649444 /nfs/dbraw/zinc/64/94/44/1211649444.db2.gz CAPSJXIXPZABFN-RDJZCZTQSA-N 2 1 366.506 0.347 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000929954185 1211675466 /nfs/dbraw/zinc/67/54/66/1211675466.db2.gz FVZPEUVBVFKDGI-DLBZAZTESA-N 2 1 366.506 0.347 10 0 FCAEMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929954185 1211675473 /nfs/dbraw/zinc/67/54/73/1211675473.db2.gz FVZPEUVBVFKDGI-DLBZAZTESA-N 2 1 366.506 0.347 10 0 FCAEMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000929954185 1211675478 /nfs/dbraw/zinc/67/54/78/1211675478.db2.gz FVZPEUVBVFKDGI-DLBZAZTESA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccnc1 ZINC000929992301 1211678818 /nfs/dbraw/zinc/67/88/18/1211678818.db2.gz PQLUSUPWOBVDGI-QZTJIDSGSA-N 2 1 373.501 0.791 10 0 FCAEMP CC(C)[C@]1(C(=O)NC[C@H]2CC[NH+](C)C2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000930361994 1211705182 /nfs/dbraw/zinc/70/51/82/1211705182.db2.gz BDOMFWSAPHTSKN-PFRQMTDMSA-N 2 1 364.534 0.785 10 0 FCAEMP CC(C)[C@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000930361994 1211705194 /nfs/dbraw/zinc/70/51/94/1211705194.db2.gz BDOMFWSAPHTSKN-PFRQMTDMSA-N 2 1 364.534 0.785 10 0 FCAEMP CC(C)[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000930361994 1211705196 /nfs/dbraw/zinc/70/51/96/1211705196.db2.gz BDOMFWSAPHTSKN-PFRQMTDMSA-N 2 1 364.534 0.785 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1)[NH+]1CC[C@@H](n2cccn2)C1 ZINC000930532612 1211713071 /nfs/dbraw/zinc/71/30/71/1211713071.db2.gz UDWNPIGWFKTBNZ-KZNAEPCWSA-N 2 1 371.489 0.778 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1)[NH+]1CC[C@@H](n2cccn2)C1 ZINC000930532612 1211713073 /nfs/dbraw/zinc/71/30/73/1211713073.db2.gz UDWNPIGWFKTBNZ-KZNAEPCWSA-N 2 1 371.489 0.778 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](n2cccn2)C1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000930532612 1211713077 /nfs/dbraw/zinc/71/30/77/1211713077.db2.gz UDWNPIGWFKTBNZ-KZNAEPCWSA-N 2 1 371.489 0.778 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](n2cccn2)C1)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000930532612 1211713079 /nfs/dbraw/zinc/71/30/79/1211713079.db2.gz UDWNPIGWFKTBNZ-KZNAEPCWSA-N 2 1 371.489 0.778 10 0 FCAEMP C[N@@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000931409102 1211754585 /nfs/dbraw/zinc/75/45/85/1211754585.db2.gz JSIRAVPXXBPMNO-IBGZPJMESA-N 2 1 360.502 0.507 10 0 FCAEMP C[N@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000931409102 1211754588 /nfs/dbraw/zinc/75/45/88/1211754588.db2.gz JSIRAVPXXBPMNO-IBGZPJMESA-N 2 1 360.502 0.507 10 0 FCAEMP [NH3+]C1(CC(=O)NCCN2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638049681 1213047293 /nfs/dbraw/zinc/04/72/93/1213047293.db2.gz YMKWUQDFCJZHSM-UHFFFAOYSA-N 2 1 360.502 0.818 10 0 FCAEMP COC[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C[NH2+]CCO1 ZINC000720810410 1214595799 /nfs/dbraw/zinc/59/57/99/1214595799.db2.gz UEKBQXRHQMPYKJ-CEWLAPEOSA-N 2 1 373.497 0.972 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000827322168 1216586856 /nfs/dbraw/zinc/58/68/56/1216586856.db2.gz UJXNXKQMPPZWFD-WBVHZDCISA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000900247653 1217974703 /nfs/dbraw/zinc/97/47/03/1217974703.db2.gz UZICVCOORNMWRZ-PXNSSMCTSA-N 2 1 374.485 0.778 10 0 FCAEMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000900247653 1217974708 /nfs/dbraw/zinc/97/47/08/1217974708.db2.gz UZICVCOORNMWRZ-PXNSSMCTSA-N 2 1 374.485 0.778 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)cc2)CC1 ZINC000900348029 1217981771 /nfs/dbraw/zinc/98/17/71/1217981771.db2.gz LNYUPXALJAYGDZ-HXUWFJFHSA-N 2 1 374.485 0.860 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)cc2)CC1 ZINC000900348029 1217981780 /nfs/dbraw/zinc/98/17/80/1217981780.db2.gz LNYUPXALJAYGDZ-HXUWFJFHSA-N 2 1 374.485 0.860 10 0 FCAEMP C[NH+](CCN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1)Cc1ccccc1 ZINC000900575680 1218007669 /nfs/dbraw/zinc/00/76/69/1218007669.db2.gz FASLNGWVPZROKX-TZIWHRDSSA-N 2 1 374.529 0.718 10 0 FCAEMP C[NH+](CCN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1)Cc1ccccc1 ZINC000900575680 1218007674 /nfs/dbraw/zinc/00/76/74/1218007674.db2.gz FASLNGWVPZROKX-TZIWHRDSSA-N 2 1 374.529 0.718 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000900902799 1218051536 /nfs/dbraw/zinc/05/15/36/1218051536.db2.gz ZUOOBWPBOAQSQY-VQTJNVASSA-N 2 1 361.486 0.586 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000900902799 1218051543 /nfs/dbraw/zinc/05/15/43/1218051543.db2.gz ZUOOBWPBOAQSQY-VQTJNVASSA-N 2 1 361.486 0.586 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000900902799 1218051549 /nfs/dbraw/zinc/05/15/49/1218051549.db2.gz ZUOOBWPBOAQSQY-VQTJNVASSA-N 2 1 361.486 0.586 10 0 FCAEMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900903394 1218052132 /nfs/dbraw/zinc/05/21/32/1218052132.db2.gz HHGHJBTWMMBYGW-ICSRJNTNSA-N 2 1 361.486 0.715 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903750875 1218515793 /nfs/dbraw/zinc/51/57/93/1218515793.db2.gz WAUCPQAMQKORRL-OWCLPIDISA-N 2 1 366.506 0.141 10 0 FCAEMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903772626 1218521930 /nfs/dbraw/zinc/52/19/30/1218521930.db2.gz SHYYWFFTBKJPKR-QZTJIDSGSA-N 2 1 372.513 0.958 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC001277178475 1225862471 /nfs/dbraw/zinc/86/24/71/1225862471.db2.gz XZPXOEROWNLHKK-IXDOHACOSA-N 2 1 356.470 0.459 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H]1c1ccc(F)cc1 ZINC001118549258 1221799633 /nfs/dbraw/zinc/79/96/33/1221799633.db2.gz XXUPQGDPHMWIIN-GGXOKCCSSA-N 2 1 360.433 0.637 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H]1c1ccc(F)cc1 ZINC001118549258 1221799636 /nfs/dbraw/zinc/79/96/36/1221799636.db2.gz XXUPQGDPHMWIIN-GGXOKCCSSA-N 2 1 360.433 0.637 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H]1c1ccc(F)cc1 ZINC001118549257 1221799919 /nfs/dbraw/zinc/79/99/19/1221799919.db2.gz XXUPQGDPHMWIIN-DBDGKTSDSA-N 2 1 360.433 0.637 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H]1c1ccc(F)cc1 ZINC001118549257 1221799921 /nfs/dbraw/zinc/79/99/21/1221799921.db2.gz XXUPQGDPHMWIIN-DBDGKTSDSA-N 2 1 360.433 0.637 10 0 FCAEMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001119659506 1221946526 /nfs/dbraw/zinc/94/65/26/1221946526.db2.gz QTMKUWCZYGTWRY-TVPLGVNVSA-N 2 1 365.518 0.935 10 0 FCAEMP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001119659505 1221946656 /nfs/dbraw/zinc/94/66/56/1221946656.db2.gz QTMKUWCZYGTWRY-FAFZWHIHSA-N 2 1 365.518 0.935 10 0 FCAEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000849092777 1245391522 /nfs/dbraw/zinc/39/15/22/1245391522.db2.gz FVGNBDNSRWEFBU-OAHLLOKOSA-N 2 1 370.444 0.952 10 0 FCAEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000849092776 1245392019 /nfs/dbraw/zinc/39/20/19/1245392019.db2.gz FVGNBDNSRWEFBU-HNNXBMFYSA-N 2 1 370.444 0.952 10 0 FCAEMP 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CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001290677538 1262492603 /nfs/dbraw/zinc/49/26/03/1262492603.db2.gz TVWXSBNSNHSRJV-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC001290826113 1262515329 /nfs/dbraw/zinc/51/53/29/1262515329.db2.gz WRTAYPREGKZZFH-QFBILLFUSA-N 2 1 361.490 0.840 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001290826053 1262515517 /nfs/dbraw/zinc/51/55/17/1262515517.db2.gz UOYFWKZWFIVIOL-QKLQHJQFSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001290837383 1262517756 /nfs/dbraw/zinc/51/77/56/1262517756.db2.gz VAPILTWQNGMWFB-FUHIMQAGSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001290837383 1262517758 /nfs/dbraw/zinc/51/77/58/1262517758.db2.gz VAPILTWQNGMWFB-FUHIMQAGSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001290837383 1262517762 /nfs/dbraw/zinc/51/77/62/1262517762.db2.gz VAPILTWQNGMWFB-FUHIMQAGSA-N 2 1 364.534 0.977 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001290919226 1262535009 /nfs/dbraw/zinc/53/50/09/1262535009.db2.gz TXDWXEPKLAXVER-ZMSDIMECSA-N 2 1 361.490 0.744 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001290919226 1262535013 /nfs/dbraw/zinc/53/50/13/1262535013.db2.gz TXDWXEPKLAXVER-ZMSDIMECSA-N 2 1 361.490 0.744 10 0 FCAEMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001290932890 1262538054 /nfs/dbraw/zinc/53/80/54/1262538054.db2.gz IPBYZMBUMJTCEK-BZUAXINKSA-N 2 1 361.490 0.895 10 0 FCAEMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001290932890 1262538061 /nfs/dbraw/zinc/53/80/61/1262538061.db2.gz IPBYZMBUMJTCEK-BZUAXINKSA-N 2 1 361.490 0.895 10 0 FCAEMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001291993538 1262627132 /nfs/dbraw/zinc/62/71/32/1262627132.db2.gz OGBZWOUIKJGWMI-YVSFHVDLSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001292223755 1262668885 /nfs/dbraw/zinc/66/88/85/1262668885.db2.gz FROZFEYKOSLWTE-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001292223755 1262668890 /nfs/dbraw/zinc/66/88/90/1262668890.db2.gz FROZFEYKOSLWTE-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001292223755 1262668898 /nfs/dbraw/zinc/66/88/98/1262668898.db2.gz FROZFEYKOSLWTE-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001292223755 1262668904 /nfs/dbraw/zinc/66/89/04/1262668904.db2.gz FROZFEYKOSLWTE-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001295251629 1262760716 /nfs/dbraw/zinc/76/07/16/1262760716.db2.gz BLIXZJNUQUSGGU-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP O=C(NCC[NH+]1CCC(O)CC1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001298012703 1262906177 /nfs/dbraw/zinc/90/61/77/1262906177.db2.gz ANTATLBDOWXAPV-HXUWFJFHSA-N 2 1 361.486 0.586 10 0 FCAEMP C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298789160 1262941694 /nfs/dbraw/zinc/94/16/94/1262941694.db2.gz IJAQTLGOACBAAL-RRFJBIMHSA-N 2 1 361.490 0.723 10 0 FCAEMP C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298789160 1262941697 /nfs/dbraw/zinc/94/16/97/1262941697.db2.gz IJAQTLGOACBAAL-RRFJBIMHSA-N 2 1 361.490 0.723 10 0 FCAEMP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1)C(=O)N(C)C ZINC001479481498 1263216462 /nfs/dbraw/zinc/21/64/62/1263216462.db2.gz IWZSIMHHZSQFDW-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001479547294 1263249159 /nfs/dbraw/zinc/24/91/59/1263249159.db2.gz QFOKGHBLVRLTSZ-ARFHVFGLSA-N 2 1 366.510 0.669 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001479546629 1263249367 /nfs/dbraw/zinc/24/93/67/1263249367.db2.gz FZCKFDOIIFKANJ-NVXWUHKLSA-N 2 1 351.495 0.713 10 0 FCAEMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001479565233 1263257640 /nfs/dbraw/zinc/25/76/40/1263257640.db2.gz VERRHXHEIZCUSH-QLFBSQMISA-N 2 1 369.489 0.607 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479672186 1263332563 /nfs/dbraw/zinc/33/25/63/1263332563.db2.gz CQPDFUIRVUGLIT-CVEARBPZSA-N 2 1 359.536 0.543 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479672186 1263332572 /nfs/dbraw/zinc/33/25/72/1263332572.db2.gz CQPDFUIRVUGLIT-CVEARBPZSA-N 2 1 359.536 0.543 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001479716644 1263383844 /nfs/dbraw/zinc/38/38/44/1263383844.db2.gz MMKDEJOQIYYJRD-PMPSAXMXSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001479716644 1263383852 /nfs/dbraw/zinc/38/38/52/1263383852.db2.gz MMKDEJOQIYYJRD-PMPSAXMXSA-N 2 1 371.547 0.732 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001479724351 1263399066 /nfs/dbraw/zinc/39/90/66/1263399066.db2.gz LONNVNHEMRENKD-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001479724351 1263399074 /nfs/dbraw/zinc/39/90/74/1263399074.db2.gz LONNVNHEMRENKD-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001479724351 1263399083 /nfs/dbraw/zinc/39/90/83/1263399083.db2.gz LONNVNHEMRENKD-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001479724351 1263399096 /nfs/dbraw/zinc/39/90/96/1263399096.db2.gz LONNVNHEMRENKD-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001479771764 1263409921 /nfs/dbraw/zinc/40/99/21/1263409921.db2.gz RKSDYNZCWPYOKF-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)C[C@H]2CCCS(=O)(=O)C2)CC[NH+]1C ZINC001479771764 1263409926 /nfs/dbraw/zinc/40/99/26/1263409926.db2.gz RKSDYNZCWPYOKF-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)C[C@H]2CCCS(=O)(=O)C2)CC[NH+]1C ZINC001479771764 1263409928 /nfs/dbraw/zinc/40/99/28/1263409928.db2.gz RKSDYNZCWPYOKF-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H](C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)OC ZINC001479931561 1263418216 /nfs/dbraw/zinc/41/82/16/1263418216.db2.gz ZKARTTRMIMPLIC-OKZBNKHCSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001480765563 1263435357 /nfs/dbraw/zinc/43/53/57/1263435357.db2.gz NTTUTCXBAWLQOW-SOUVJXGZSA-N 2 1 362.478 0.630 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC001316737741 1263445906 /nfs/dbraw/zinc/44/59/06/1263445906.db2.gz XUSCWFUESBUONB-UONOGXRCSA-N 2 1 367.494 0.238 10 0 FCAEMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)C)CC[C@@H]2C1 ZINC001316754010 1263457517 /nfs/dbraw/zinc/45/75/17/1263457517.db2.gz QBHQVUYEHUSDSG-IKGGRYGDSA-N 2 1 370.513 0.971 10 0 FCAEMP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001316756702 1263461370 /nfs/dbraw/zinc/46/13/70/1263461370.db2.gz IFQXYOMHDUWOSE-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](CC[C@@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001484273666 1263464223 /nfs/dbraw/zinc/46/42/23/1263464223.db2.gz LHCAMKFVFPBNLB-YESZJQIVSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](CC[C@@H]3CCCCO3)C2)CC[N@H+]1C ZINC001484273666 1263464228 /nfs/dbraw/zinc/46/42/28/1263464228.db2.gz LHCAMKFVFPBNLB-YESZJQIVSA-N 2 1 353.507 0.839 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCNC(=O)C1CC1 ZINC001316786779 1263476538 /nfs/dbraw/zinc/47/65/38/1263476538.db2.gz PELDFRUDYCKHNB-WBVHZDCISA-N 2 1 362.518 0.968 10 0 FCAEMP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)n1 ZINC001316796482 1263485733 /nfs/dbraw/zinc/48/57/33/1263485733.db2.gz VCPOCNMTMSZJSB-MSOLQXFVSA-N 2 1 363.506 0.801 10 0 FCAEMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCOCC3)[C@H]2C)n1 ZINC001316796482 1263485737 /nfs/dbraw/zinc/48/57/37/1263485737.db2.gz VCPOCNMTMSZJSB-MSOLQXFVSA-N 2 1 363.506 0.801 10 0 FCAEMP Cc1cc(NC(=O)C[NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001316824444 1263491130 /nfs/dbraw/zinc/49/11/30/1263491130.db2.gz RNNYRPGYJATDAA-HUUCEWRRSA-N 2 1 364.494 0.445 10 0 FCAEMP Cc1cc(NC(=O)C[NH+](C)CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001316824444 1263491141 /nfs/dbraw/zinc/49/11/41/1263491141.db2.gz RNNYRPGYJATDAA-HUUCEWRRSA-N 2 1 364.494 0.445 10 0 FCAEMP Cc1cc(NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n(C)n1 ZINC001316824444 1263491146 /nfs/dbraw/zinc/49/11/46/1263491146.db2.gz RNNYRPGYJATDAA-HUUCEWRRSA-N 2 1 364.494 0.445 10 0 FCAEMP Cc1cc(NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n(C)n1 ZINC001316824444 1263491152 /nfs/dbraw/zinc/49/11/52/1263491152.db2.gz RNNYRPGYJATDAA-HUUCEWRRSA-N 2 1 364.494 0.445 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001316893168 1263494129 /nfs/dbraw/zinc/49/41/29/1263494129.db2.gz MLPRSFPLIXHFST-SOUVJXGZSA-N 2 1 369.510 0.389 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)[C@@H](C)C(=O)NC(=O)NC)CC[NH+]1C ZINC001316893168 1263494131 /nfs/dbraw/zinc/49/41/31/1263494131.db2.gz MLPRSFPLIXHFST-SOUVJXGZSA-N 2 1 369.510 0.389 10 0 FCAEMP 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FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CC2([NH+](C)C)CCCC2)CC[N@H+]1C ZINC001572331057 1270035481 /nfs/dbraw/zinc/03/54/81/1270035481.db2.gz WTAHZPJURBDFER-OWCLPIDISA-N 2 1 368.522 0.184 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001344426613 1270177023 /nfs/dbraw/zinc/17/70/23/1270177023.db2.gz BGZFYFDQHTVEGK-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001572842117 1270239247 /nfs/dbraw/zinc/23/92/47/1270239247.db2.gz IZJXGYLXHHAXJS-HUUCEWRRSA-N 2 1 368.522 0.279 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001572892845 1270306917 /nfs/dbraw/zinc/30/69/17/1270306917.db2.gz NYNPMWPDGDZHOP-BRWVUGGUSA-N 2 1 368.522 0.258 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001572954426 1270400134 /nfs/dbraw/zinc/40/01/34/1270400134.db2.gz LREUUBZOUJHKBB-MWDXBVQZSA-N 2 1 368.522 0.399 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001572954426 1270400139 /nfs/dbraw/zinc/40/01/39/1270400139.db2.gz LREUUBZOUJHKBB-MWDXBVQZSA-N 2 1 368.522 0.399 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001572954426 1270400142 /nfs/dbraw/zinc/40/01/42/1270400142.db2.gz LREUUBZOUJHKBB-MWDXBVQZSA-N 2 1 368.522 0.399 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001572959281 1270409644 /nfs/dbraw/zinc/40/96/44/1270409644.db2.gz ROCMNKJUPBMIFA-BRWVUGGUSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001572959281 1270409651 /nfs/dbraw/zinc/40/96/51/1270409651.db2.gz ROCMNKJUPBMIFA-BRWVUGGUSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001572959281 1270409653 /nfs/dbraw/zinc/40/96/53/1270409653.db2.gz ROCMNKJUPBMIFA-BRWVUGGUSA-N 2 1 368.522 0.545 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCN(CC)C2=O)CC[N@@H+]1C ZINC001713557147 1287285415 /nfs/dbraw/zinc/28/54/15/1287285415.db2.gz JYDKRBVXMATBEC-BBWFWOEESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C2CC2)[C@H]2CCN(CC)C2=O)CC[N@H+]1C ZINC001713557147 1287285420 /nfs/dbraw/zinc/28/54/20/1287285420.db2.gz JYDKRBVXMATBEC-BBWFWOEESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCN(CC)C2=O)CC[NH+]1C ZINC001713557147 1287285426 /nfs/dbraw/zinc/28/54/26/1287285426.db2.gz JYDKRBVXMATBEC-BBWFWOEESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCN(CC)C2=O)CC[NH+]1C ZINC001713557147 1287285431 /nfs/dbraw/zinc/28/54/31/1287285431.db2.gz JYDKRBVXMATBEC-BBWFWOEESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001713593617 1287287241 /nfs/dbraw/zinc/28/72/41/1287287241.db2.gz RIGMYBJEYZMGJN-RWMBFGLXSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001714071783 1287311584 /nfs/dbraw/zinc/31/15/84/1287311584.db2.gz DOEVAAYSDJVCTO-HZSPNIEDSA-N 2 1 367.494 0.141 10 0 FCAEMP COCc1noc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n1 ZINC001714162833 1287314091 /nfs/dbraw/zinc/31/40/91/1287314091.db2.gz MUTGPESIAWPCCT-RVZJWNSFSA-N 2 1 365.478 0.931 10 0 FCAEMP COCc1noc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)n1 ZINC001714162833 1287314098 /nfs/dbraw/zinc/31/40/98/1287314098.db2.gz MUTGPESIAWPCCT-RVZJWNSFSA-N 2 1 365.478 0.931 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ncnn2CC(F)F)CC[N@@H+]1C ZINC001714234895 1287316885 /nfs/dbraw/zinc/31/68/85/1287316885.db2.gz OACBGTFYEMJATA-FRRDWIJNSA-N 2 1 358.437 0.868 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001714234895 1287316889 /nfs/dbraw/zinc/31/68/89/1287316889.db2.gz OACBGTFYEMJATA-FRRDWIJNSA-N 2 1 358.437 0.868 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCN3C(=O)CCC3=O)CCCC2)CC[N@H+]1C ZINC001715095075 1287344820 /nfs/dbraw/zinc/34/48/20/1287344820.db2.gz OFRFOFGDMFKUAM-HUUCEWRRSA-N 2 1 364.490 0.494 10 0 FCAEMP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715325968 1287350468 /nfs/dbraw/zinc/35/04/68/1287350468.db2.gz DHMHVWPLJKMHIF-BFHYXJOUSA-N 2 1 369.510 0.387 10 0 FCAEMP C[C@@H](CC[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715643385 1287359519 /nfs/dbraw/zinc/35/95/19/1287359519.db2.gz BZVYWKVOZMTWIA-SQWLQELKSA-N 2 1 354.495 0.106 10 0 FCAEMP C[C@@H](C[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715976281 1287366477 /nfs/dbraw/zinc/36/64/77/1287366477.db2.gz JYTUQAXUAHMYIE-BFHYXJOUSA-N 2 1 351.499 0.405 10 0 FCAEMP C[C@@H](C[NH2+]CC(=O)NCc1ccccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715978605 1287367851 /nfs/dbraw/zinc/36/78/51/1287367851.db2.gz YQOGKKIXLARTCA-SQWLQELKSA-N 2 1 364.465 0.876 10 0 FCAEMP COc1c(F)cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC001716087753 1287370234 /nfs/dbraw/zinc/37/02/34/1287370234.db2.gz MJSBDQKQRXYEIE-MRVWCRGKSA-N 2 1 371.428 0.880 10 0 FCAEMP CCN(CC[NH2+]CC(=O)Nc1cc(C)no1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716217935 1287374322 /nfs/dbraw/zinc/37/43/22/1287374322.db2.gz MTEYDPBDEDJVCN-ZIAGYGMSSA-N 2 1 351.451 0.700 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@H+]1C ZINC001716295425 1287375094 /nfs/dbraw/zinc/37/50/94/1287375094.db2.gz PIHGUSGSXDZRTR-RWCKICOTSA-N 2 1 363.462 0.914 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC2CCCC2)C2CC2)CC[N@H+]1C ZINC001716612151 1287384424 /nfs/dbraw/zinc/38/44/24/1287384424.db2.gz ZHRZHGXPBXOZGO-KBRIMQKVSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC[N@H+]1C ZINC001717050655 1287404640 /nfs/dbraw/zinc/40/46/40/1287404640.db2.gz CVWTUFRLHSCFST-HRCADAONSA-N 2 1 370.538 0.430 10 0 FCAEMP CCOCCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001717188217 1287411965 /nfs/dbraw/zinc/41/19/65/1287411965.db2.gz AILLLUAPZYQRLW-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001717375482 1287422295 /nfs/dbraw/zinc/42/22/95/1287422295.db2.gz ZAVPQDLEDZIBJO-KSZLIROESA-N 2 1 358.486 0.740 10 0 FCAEMP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001717375482 1287422301 /nfs/dbraw/zinc/42/23/01/1287422301.db2.gz ZAVPQDLEDZIBJO-KSZLIROESA-N 2 1 358.486 0.740 10 0 FCAEMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001717375482 1287422309 /nfs/dbraw/zinc/42/23/09/1287422309.db2.gz ZAVPQDLEDZIBJO-KSZLIROESA-N 2 1 358.486 0.740 10 0 FCAEMP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001717375482 1287422315 /nfs/dbraw/zinc/42/23/15/1287422315.db2.gz ZAVPQDLEDZIBJO-KSZLIROESA-N 2 1 358.486 0.740 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001717640627 1287431234 /nfs/dbraw/zinc/43/12/34/1287431234.db2.gz FQJCFYJHPPOOBV-MUIFIZLQSA-N 2 1 350.507 0.870 10 0 FCAEMP Cc1nn(C)c(Cl)c1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717765636 1287435620 /nfs/dbraw/zinc/43/56/20/1287435620.db2.gz BEZUCUQEFKQEPL-FRRDWIJNSA-N 2 1 357.886 0.289 10 0 FCAEMP Cc1nn(C)c(Cl)c1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717765636 1287435626 /nfs/dbraw/zinc/43/56/26/1287435626.db2.gz BEZUCUQEFKQEPL-FRRDWIJNSA-N 2 1 357.886 0.289 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2cccc(F)c2)CC[N@@H+]1C ZINC001717766930 1287435764 /nfs/dbraw/zinc/43/57/64/1287435764.db2.gz OXXIVKLYYGZCPP-DAXOMENPSA-N 2 1 366.437 0.171 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC001717766930 1287435769 /nfs/dbraw/zinc/43/57/69/1287435769.db2.gz OXXIVKLYYGZCPP-DAXOMENPSA-N 2 1 366.437 0.171 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001717916960 1287443339 /nfs/dbraw/zinc/44/33/39/1287443339.db2.gz GWJRXLLZDGHESU-DAXOMENPSA-N 2 1 350.463 0.801 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2coc(C3CC3)n2)CC[N@H+]1C ZINC001717916960 1287443344 /nfs/dbraw/zinc/44/33/44/1287443344.db2.gz GWJRXLLZDGHESU-DAXOMENPSA-N 2 1 350.463 0.801 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001717938252 1287446971 /nfs/dbraw/zinc/44/69/71/1287446971.db2.gz IJQFBMMCVUKTGF-DJIMGWMZSA-N 2 1 368.522 0.137 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001717938252 1287446977 /nfs/dbraw/zinc/44/69/77/1287446977.db2.gz IJQFBMMCVUKTGF-DJIMGWMZSA-N 2 1 368.522 0.137 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC2CCCC2)CC[NH+]1C ZINC001717938252 1287446981 /nfs/dbraw/zinc/44/69/81/1287446981.db2.gz IJQFBMMCVUKTGF-DJIMGWMZSA-N 2 1 368.522 0.137 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC2CCCC2)CC[NH+]1C ZINC001717938252 1287446990 /nfs/dbraw/zinc/44/69/90/1287446990.db2.gz IJQFBMMCVUKTGF-DJIMGWMZSA-N 2 1 368.522 0.137 10 0 FCAEMP COc1cccc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001717938401 1287447397 /nfs/dbraw/zinc/44/73/97/1287447397.db2.gz LCMYMVVQBQXYMS-HYVNUMGLSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1cccc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001717938401 1287447400 /nfs/dbraw/zinc/44/74/00/1287447400.db2.gz LCMYMVVQBQXYMS-HYVNUMGLSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1cccc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001717938401 1287447404 /nfs/dbraw/zinc/44/74/04/1287447404.db2.gz LCMYMVVQBQXYMS-HYVNUMGLSA-N 2 1 364.490 0.682 10 0 FCAEMP COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001638871860 1282731357 /nfs/dbraw/zinc/73/13/57/1282731357.db2.gz NJQCICTYWZLJRW-INIZCTEOSA-N 2 1 362.474 0.714 10 0 FCAEMP 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CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001683085923 1283860274 /nfs/dbraw/zinc/86/02/74/1283860274.db2.gz CYXDGFDVUPGHNL-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001683307653 1283938014 /nfs/dbraw/zinc/93/80/14/1283938014.db2.gz BBDKGPLSPSJIQF-ARFHVFGLSA-N 2 1 366.506 0.012 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001719096227 1287714455 /nfs/dbraw/zinc/71/44/55/1287714455.db2.gz FPHSHIPJMQIAKM-HZPDHXFCSA-N 2 1 368.522 0.137 10 0 FCAEMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001719122567 1287782922 /nfs/dbraw/zinc/78/29/22/1287782922.db2.gz FCBVMDUBOFXXQI-BRWVUGGUSA-N 2 1 368.522 0.281 10 0 FCAEMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001719122567 1287782928 /nfs/dbraw/zinc/78/29/28/1287782928.db2.gz FCBVMDUBOFXXQI-BRWVUGGUSA-N 2 1 368.522 0.281 10 0 FCAEMP 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C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)C2=O ZINC000747828527 836266880 /nfs/dbraw/zinc/26/68/80/836266880.db2.gz GOWWUHUCADGDLO-LSDHHAIUSA-N 2 1 350.463 0.709 10 0 FCAEMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001263904773 859233760 /nfs/dbraw/zinc/23/37/60/859233760.db2.gz COQCBPOAKMSGSF-UXLLHSPISA-N 2 1 350.507 0.966 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC001263926780 859244437 /nfs/dbraw/zinc/24/44/37/859244437.db2.gz FAHAPBKLGFIUFC-JENIJYKNSA-N 2 1 353.507 0.840 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001263969300 859259907 /nfs/dbraw/zinc/25/99/07/859259907.db2.gz MYPQEKGJKPAZJW-BZUAXINKSA-N 2 1 354.495 0.045 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001263975629 859263941 /nfs/dbraw/zinc/26/39/41/859263941.db2.gz KCCJMRXEWDJHHL-GDBMZVCRSA-N 2 1 353.467 0.671 10 0 FCAEMP 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CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](OCC)C1 ZINC001264537582 859378471 /nfs/dbraw/zinc/37/84/71/859378471.db2.gz PBYSATGESDKIQD-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001264568477 859387789 /nfs/dbraw/zinc/38/77/89/859387789.db2.gz YJUGUGPAXWEMDS-CVEARBPZSA-N 2 1 353.511 0.569 10 0 FCAEMP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650557 859415554 /nfs/dbraw/zinc/41/55/54/859415554.db2.gz WKQNNWGJZZHXES-JCECYMMASA-N 2 1 353.507 0.504 10 0 FCAEMP COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650557 859415558 /nfs/dbraw/zinc/41/55/58/859415558.db2.gz WKQNNWGJZZHXES-JCECYMMASA-N 2 1 353.507 0.504 10 0 FCAEMP COC[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650557 859415561 /nfs/dbraw/zinc/41/55/61/859415561.db2.gz WKQNNWGJZZHXES-JCECYMMASA-N 2 1 353.507 0.504 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001265114490 859454031 /nfs/dbraw/zinc/45/40/31/859454031.db2.gz BZTHFBIKFWZGAL-MELADBBJSA-N 2 1 355.483 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)[C@@H](C)C(=O)NC(N)=O)CC[NH+]1C ZINC001265114490 859454037 /nfs/dbraw/zinc/45/40/37/859454037.db2.gz BZTHFBIKFWZGAL-MELADBBJSA-N 2 1 355.483 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)[C@@H](C)C(=O)NC(N)=O)CC[NH+]1C ZINC001265114490 859454044 /nfs/dbraw/zinc/45/40/44/859454044.db2.gz BZTHFBIKFWZGAL-MELADBBJSA-N 2 1 355.483 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001266593181 859484611 /nfs/dbraw/zinc/48/46/11/859484611.db2.gz ADGIMKCHZMCVHK-ZDEQEGDKSA-N 2 1 364.412 0.632 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001267374734 859506097 /nfs/dbraw/zinc/50/60/97/859506097.db2.gz JPGAMDHHCPVAII-ZIAGYGMSSA-N 2 1 350.467 0.055 10 0 FCAEMP CCOCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267607763 859510691 /nfs/dbraw/zinc/51/06/91/859510691.db2.gz UCHRKWNUYIPQLX-QZTJIDSGSA-N 2 1 354.539 0.829 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](C[C@H](C)OC)CC2)CC[N@H+]1C ZINC001267607835 859510801 /nfs/dbraw/zinc/51/08/01/859510801.db2.gz WTMILKXBWQGOEU-OKZBNKHCSA-N 2 1 354.539 0.828 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(=O)c(OC)co1 ZINC001267806514 859516788 /nfs/dbraw/zinc/51/67/88/859516788.db2.gz XVEFGRRQXJJDDD-UMVBOHGHSA-N 2 1 351.447 0.973 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001268645562 859536979 /nfs/dbraw/zinc/53/69/79/859536979.db2.gz QPAYGCKZINGKFS-VNQPRFMTSA-N 2 1 354.495 0.106 10 0 FCAEMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NCC(F)(F)F ZINC001269415793 859549004 /nfs/dbraw/zinc/54/90/04/859549004.db2.gz JQYZGJXTLJWQEE-QJPTWQEYSA-N 2 1 364.412 0.632 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCOCCO)CC[N@H+]1C ZINC001272025924 860068641 /nfs/dbraw/zinc/06/86/41/860068641.db2.gz YXSHFKYEJQBSDR-MLHJIOFPSA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCOCCO)CC[NH+]1C ZINC001272025924 860068653 /nfs/dbraw/zinc/06/86/53/860068653.db2.gz YXSHFKYEJQBSDR-MLHJIOFPSA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCOCCO)CC[NH+]1C ZINC001272025924 860068664 /nfs/dbraw/zinc/06/86/64/860068664.db2.gz YXSHFKYEJQBSDR-MLHJIOFPSA-N 2 1 353.507 0.791 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001274035330 860664011 /nfs/dbraw/zinc/66/40/11/860664011.db2.gz KUYQFKSDYUYOJU-UUSXEQNQSA-N 2 1 365.503 0.708 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001274036381 860664793 /nfs/dbraw/zinc/66/47/93/860664793.db2.gz NISKXTDFRVQSBC-XAXOSQJESA-N 2 1 371.547 0.804 10 0 FCAEMP C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274759948 860815901 /nfs/dbraw/zinc/81/59/01/860815901.db2.gz ICQVCIURGSHEIE-JHJVBQTASA-N 2 1 355.483 0.045 10 0 FCAEMP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001282007408 864036775 /nfs/dbraw/zinc/03/67/75/864036775.db2.gz JYFNIJTYEQNHCJ-BZUAXINKSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cncc(F)c2)CC[N@H+]1C ZINC001284415419 864561058 /nfs/dbraw/zinc/56/10/58/864561058.db2.gz CFPJXJMRIGOUOZ-IXDOHACOSA-N 2 1 352.454 0.860 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001286435134 864693704 /nfs/dbraw/zinc/69/37/04/864693704.db2.gz KLSGBGQDJBEDAD-LUKYLMHMSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1)[NH+](C)C ZINC001290838202 865527785 /nfs/dbraw/zinc/52/77/85/865527785.db2.gz FRLRANPVIJGDMO-GJYPPUQNSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC[N@H+]1C ZINC001299389390 866173123 /nfs/dbraw/zinc/17/31/23/866173123.db2.gz SNVBPMSJQLVVEL-BBWFWOEESA-N 2 1 352.523 0.972 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001299543452 866181124 /nfs/dbraw/zinc/18/11/24/866181124.db2.gz NNLVBXMZCFNWDC-IIDMSEBBSA-N 2 1 350.507 0.776 10 0 FCAEMP C[NH+]1CC(N2CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CC2)C1 ZINC001350560803 866630099 /nfs/dbraw/zinc/63/00/99/866630099.db2.gz MXRMYXIPYJGMDR-MRXNPFEDSA-N 2 1 352.548 0.662 10 0 FCAEMP CC[NH+](CC)CC[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001352178613 867052586 /nfs/dbraw/zinc/05/25/86/867052586.db2.gz IGQWHMZEEHTOGK-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)C1CCC1 ZINC001316653199 867375029 /nfs/dbraw/zinc/37/50/29/867375029.db2.gz URTXIMWWMDMWLM-HRCADAONSA-N 2 1 371.547 0.780 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001316740580 867436845 /nfs/dbraw/zinc/43/68/45/867436845.db2.gz MAAFTXPBGLTHIV-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001316740580 867436855 /nfs/dbraw/zinc/43/68/55/867436855.db2.gz MAAFTXPBGLTHIV-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)CC1CC1 ZINC001316740580 867436864 /nfs/dbraw/zinc/43/68/64/867436864.db2.gz MAAFTXPBGLTHIV-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)CC1CC1 ZINC001316740580 867436870 /nfs/dbraw/zinc/43/68/70/867436870.db2.gz MAAFTXPBGLTHIV-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001316796596 867497796 /nfs/dbraw/zinc/49/77/96/867497796.db2.gz OUFYXFKHRPYCEC-CABCVRRESA-N 2 1 350.507 0.966 10 0 FCAEMP 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ZINC000286050256 489350282 /nfs/dbraw/zinc/35/02/82/489350282.db2.gz RZMGLUAFQLKGRL-DLBZAZTESA-N 2 1 362.474 0.242 10 0 FCAEMP COCC1(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000570618496 491253489 /nfs/dbraw/zinc/25/34/89/491253489.db2.gz SEAZPTXQEYYVPQ-QGZVFWFLSA-N 2 1 368.522 0.899 10 0 FCAEMP CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000451726009 489519845 /nfs/dbraw/zinc/51/98/45/489519845.db2.gz QBMNZUSXOTWPKH-QZTJIDSGSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1C[NH+](CC)CCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000451726009 489519847 /nfs/dbraw/zinc/51/98/47/489519847.db2.gz QBMNZUSXOTWPKH-QZTJIDSGSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1C[NH+](CC)CCN1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451726009 489519849 /nfs/dbraw/zinc/51/98/49/489519849.db2.gz QBMNZUSXOTWPKH-QZTJIDSGSA-N 2 1 354.539 0.876 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000563639401 491260662 /nfs/dbraw/zinc/26/06/62/491260662.db2.gz DOUPPLLVETVWDO-JKSUJKDBSA-N 2 1 355.527 0.109 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415628609 489538511 /nfs/dbraw/zinc/53/85/11/489538511.db2.gz UWBAVVYYQXBSRS-CRAIPNDOSA-N 2 1 374.485 0.614 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425908250 489547664 /nfs/dbraw/zinc/54/76/64/489547664.db2.gz GRAYLDXHPAMWTR-OAHLLOKOSA-N 2 1 356.511 0.402 10 0 FCAEMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000415771667 489551476 /nfs/dbraw/zinc/55/14/76/489551476.db2.gz DAWMESLGQNFZNS-SFHVURJKSA-N 2 1 350.438 0.889 10 0 FCAEMP C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000416297993 489579752 /nfs/dbraw/zinc/57/97/52/489579752.db2.gz QEHLJEBQZXSWCW-SJORKVTESA-N 2 1 353.507 0.935 10 0 FCAEMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000570794527 491265044 /nfs/dbraw/zinc/26/50/44/491265044.db2.gz WPKXWVCAQRTTJS-HXUWFJFHSA-N 2 1 362.518 0.217 10 0 FCAEMP 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ZINC000417985751 489674388 /nfs/dbraw/zinc/67/43/88/489674388.db2.gz HMZNVIWJJDKSRI-QZTJIDSGSA-N 2 1 362.474 0.936 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434414 489683380 /nfs/dbraw/zinc/68/33/80/489683380.db2.gz JMCPGHVJFCTAHV-IAGOWNOFSA-N 2 1 355.527 0.016 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)CN1CC[NH+](C)CC1 ZINC000458434414 489683383 /nfs/dbraw/zinc/68/33/83/489683383.db2.gz JMCPGHVJFCTAHV-IAGOWNOFSA-N 2 1 355.527 0.016 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)CN1CC[NH+](C)CC1 ZINC000458434414 489683385 /nfs/dbraw/zinc/68/33/85/489683385.db2.gz JMCPGHVJFCTAHV-IAGOWNOFSA-N 2 1 355.527 0.016 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000458446384 489684496 /nfs/dbraw/zinc/68/44/96/489684496.db2.gz WOZPPNWOHZYWIH-OAHLLOKOSA-N 2 1 358.446 0.721 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418827359 489742455 /nfs/dbraw/zinc/74/24/55/489742455.db2.gz GVTSUHSRDBNBRP-UHFFFAOYSA-N 2 1 366.506 0.348 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000418843978 489752213 /nfs/dbraw/zinc/75/22/13/489752213.db2.gz SSEPRBMIUSLHLD-QGZVFWFLSA-N 2 1 359.474 0.544 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000418843974 489752243 /nfs/dbraw/zinc/75/22/43/489752243.db2.gz SSEPRBMIUSLHLD-KRWDZBQOSA-N 2 1 359.474 0.544 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474383840 489759442 /nfs/dbraw/zinc/75/94/42/489759442.db2.gz LEOCYZNOUGSBHW-KLAILNCOSA-N 2 1 365.522 0.890 10 0 FCAEMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418874835 489770114 /nfs/dbraw/zinc/77/01/14/489770114.db2.gz CKYVGIDCMOLRQS-ROUUACIJSA-N 2 1 374.485 0.815 10 0 FCAEMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418874835 489770118 /nfs/dbraw/zinc/77/01/18/489770118.db2.gz CKYVGIDCMOLRQS-ROUUACIJSA-N 2 1 374.485 0.815 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418881054 489773806 /nfs/dbraw/zinc/77/38/06/489773806.db2.gz QNSNXMFZMGPJPQ-DOPJRALCSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418881054 489773808 /nfs/dbraw/zinc/77/38/08/489773808.db2.gz QNSNXMFZMGPJPQ-DOPJRALCSA-N 2 1 374.485 0.943 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418884510 489774919 /nfs/dbraw/zinc/77/49/19/489774919.db2.gz WUOLPJLBSQASMB-INIZCTEOSA-N 2 1 368.522 0.771 10 0 FCAEMP C[N@H+](CCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CC1 ZINC000418989783 489811390 /nfs/dbraw/zinc/81/13/90/489811390.db2.gz KJCGJRNJVSZCKQ-QGZVFWFLSA-N 2 1 359.474 0.545 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C1CC1 ZINC000418989783 489811394 /nfs/dbraw/zinc/81/13/94/489811394.db2.gz KJCGJRNJVSZCKQ-QGZVFWFLSA-N 2 1 359.474 0.545 10 0 FCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000419093219 489853157 /nfs/dbraw/zinc/85/31/57/489853157.db2.gz YCXMOADLZVWYKQ-QLFBSQMISA-N 2 1 354.495 0.249 10 0 FCAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000419093219 489853161 /nfs/dbraw/zinc/85/31/61/489853161.db2.gz YCXMOADLZVWYKQ-QLFBSQMISA-N 2 1 354.495 0.249 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433322401 489876485 /nfs/dbraw/zinc/87/64/85/489876485.db2.gz QKYHVKWNVIJKTD-DLBZAZTESA-N 2 1 356.511 0.897 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433322401 489876491 /nfs/dbraw/zinc/87/64/91/489876491.db2.gz QKYHVKWNVIJKTD-DLBZAZTESA-N 2 1 356.511 0.897 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433322401 489876497 /nfs/dbraw/zinc/87/64/97/489876497.db2.gz QKYHVKWNVIJKTD-DLBZAZTESA-N 2 1 356.511 0.897 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000420042817 489890999 /nfs/dbraw/zinc/89/09/99/489890999.db2.gz RBNDDSNUALIQGC-XGUBFFRZSA-N 2 1 354.495 0.404 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420110801 489915693 /nfs/dbraw/zinc/91/56/93/489915693.db2.gz FUGIUWOHVAPENJ-ZBFHGGJFSA-N 2 1 364.515 0.549 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420110798 489915974 /nfs/dbraw/zinc/91/59/74/489915974.db2.gz FUGIUWOHVAPENJ-GDBMZVCRSA-N 2 1 364.515 0.549 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420114425 489917374 /nfs/dbraw/zinc/91/73/74/489917374.db2.gz JMZRSDMHOZXXQN-OQIJWPOYSA-N 2 1 370.497 0.691 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000477676216 489984224 /nfs/dbraw/zinc/98/42/24/489984224.db2.gz KNSMYMRWTSOOAK-UHFFFAOYSA-N 2 1 364.494 0.341 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000496263114 490109405 /nfs/dbraw/zinc/10/94/05/490109405.db2.gz HYQXCBASAAFUJA-HZPDHXFCSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496263114 490109407 /nfs/dbraw/zinc/10/94/07/490109407.db2.gz HYQXCBASAAFUJA-HZPDHXFCSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496263114 490109409 /nfs/dbraw/zinc/10/94/09/490109409.db2.gz HYQXCBASAAFUJA-HZPDHXFCSA-N 2 1 367.538 0.070 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000556172514 491300670 /nfs/dbraw/zinc/30/06/70/491300670.db2.gz ZNTMSORTBMPLQX-SJORKVTESA-N 2 1 366.506 0.158 10 0 FCAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382779073 490128280 /nfs/dbraw/zinc/12/82/80/490128280.db2.gz QUMQYNDWMQYMRS-ROUUACIJSA-N 2 1 367.515 0.759 10 0 FCAEMP C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000398135439 490166451 /nfs/dbraw/zinc/16/64/51/490166451.db2.gz KTHLDYFUOOTQDB-PVAVHDDUSA-N 2 1 353.488 0.557 10 0 FCAEMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497494205 490167772 /nfs/dbraw/zinc/16/77/72/490167772.db2.gz LAPLEPGOXVUSRD-SJPCQFCGSA-N 2 1 366.506 0.251 10 0 FCAEMP COCC[C@]1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000447404087 490231965 /nfs/dbraw/zinc/23/19/65/490231965.db2.gz IFUPQDLAWFLXGF-WMZOPIPTSA-N 2 1 357.495 0.245 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422293182 490238209 /nfs/dbraw/zinc/23/82/09/490238209.db2.gz KMIGIHWIVWLLDO-HZPDHXFCSA-N 2 1 354.495 0.062 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422293182 490238216 /nfs/dbraw/zinc/23/82/16/490238216.db2.gz KMIGIHWIVWLLDO-HZPDHXFCSA-N 2 1 354.495 0.062 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422293182 490238223 /nfs/dbraw/zinc/23/82/23/490238223.db2.gz KMIGIHWIVWLLDO-HZPDHXFCSA-N 2 1 354.495 0.062 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000422300442 490242382 /nfs/dbraw/zinc/24/23/82/490242382.db2.gz UBDWJQOERRMBRN-HZPDHXFCSA-N 2 1 354.495 0.155 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000422300442 490242390 /nfs/dbraw/zinc/24/23/90/490242390.db2.gz UBDWJQOERRMBRN-HZPDHXFCSA-N 2 1 354.495 0.155 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000422300442 490242401 /nfs/dbraw/zinc/24/24/01/490242401.db2.gz UBDWJQOERRMBRN-HZPDHXFCSA-N 2 1 354.495 0.155 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000521450268 490264495 /nfs/dbraw/zinc/26/44/95/490264495.db2.gz QIGJUDNPMJVASW-GPANFISMSA-N 2 1 354.495 0.060 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000422470093 490338417 /nfs/dbraw/zinc/33/84/17/490338417.db2.gz FLYLJFISNJYUGD-INIZCTEOSA-N 2 1 371.441 0.131 10 0 FCAEMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000422476107 490345157 /nfs/dbraw/zinc/34/51/57/490345157.db2.gz UKACGUNIBURSBR-GASCZTMLSA-N 2 1 373.457 0.566 10 0 FCAEMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000509982419 490482461 /nfs/dbraw/zinc/48/24/61/490482461.db2.gz MFLVTOCWDBVZBB-KRWDZBQOSA-N 2 1 368.522 0.500 10 0 FCAEMP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000414107723 490537570 /nfs/dbraw/zinc/53/75/70/490537570.db2.gz KPFILSMBNNQDMU-SJLPKXTDSA-N 2 1 358.486 0.882 10 0 FCAEMP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000414107723 490537574 /nfs/dbraw/zinc/53/75/74/490537574.db2.gz KPFILSMBNNQDMU-SJLPKXTDSA-N 2 1 358.486 0.882 10 0 FCAEMP CC[NH+]1CC[C@H](CNC(=O)CSCC(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000536016059 490546003 /nfs/dbraw/zinc/54/60/03/490546003.db2.gz AGMIHXWGPVAHJN-HZPDHXFCSA-N 2 1 370.563 0.636 10 0 FCAEMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000571926597 491338188 /nfs/dbraw/zinc/33/81/88/491338188.db2.gz WWUPFVNZULYSPF-OWCLPIDISA-N 2 1 364.494 0.822 10 0 FCAEMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000502054019 490673340 /nfs/dbraw/zinc/67/33/40/490673340.db2.gz KLUVETOXSSOLQP-MSOLQXFVSA-N 2 1 352.523 0.583 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000526977743 490689738 /nfs/dbraw/zinc/68/97/38/490689738.db2.gz ZFCCQEHGMMOPAE-HNNXBMFYSA-N 2 1 363.462 0.643 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000528151344 490781519 /nfs/dbraw/zinc/78/15/19/490781519.db2.gz LJHRDBRVSOHIGA-CQSZACIVSA-N 2 1 371.445 0.714 10 0 FCAEMP O=C(CCOC1C[NH2+]C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000516056199 490847785 /nfs/dbraw/zinc/84/77/85/490847785.db2.gz NCNGSGSQUFPZKX-UHFFFAOYSA-N 2 1 353.385 0.478 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000516659256 490873353 /nfs/dbraw/zinc/87/33/53/490873353.db2.gz AUCKANGGTWFHTK-IAGOWNOFSA-N 2 1 369.554 0.221 10 0 FCAEMP Cc1cc(N2CC[C@H]([NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000530239685 490894999 /nfs/dbraw/zinc/89/49/99/490894999.db2.gz GZQIMEBRKJWXGV-SJORKVTESA-N 2 1 361.490 0.924 10 0 FCAEMP CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000517370530 490905976 /nfs/dbraw/zinc/90/59/76/490905976.db2.gz HXYQRCWNXGXWNZ-CABCVRRESA-N 2 1 352.479 0.304 10 0 FCAEMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517570198 490912739 /nfs/dbraw/zinc/91/27/39/490912739.db2.gz UPTPTUHDXVCSKF-IAGOWNOFSA-N 2 1 364.490 0.053 10 0 FCAEMP Cc1cccc(C[NH+]2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)c1 ZINC000518049565 490929205 /nfs/dbraw/zinc/92/92/05/490929205.db2.gz KGJDHDDLWRPYPL-SFHVURJKSA-N 2 1 358.486 0.802 10 0 FCAEMP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000518214530 490933338 /nfs/dbraw/zinc/93/33/38/490933338.db2.gz UHHKJONKSBEHIH-MRXNPFEDSA-N 2 1 350.507 0.731 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000518214530 490933340 /nfs/dbraw/zinc/93/33/40/490933340.db2.gz UHHKJONKSBEHIH-MRXNPFEDSA-N 2 1 350.507 0.731 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000557303458 491366573 /nfs/dbraw/zinc/36/65/73/491366573.db2.gz UMQFLFKQYQKUQM-UHFFFAOYSA-N 2 1 354.495 0.015 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000557495510 491378364 /nfs/dbraw/zinc/37/83/64/491378364.db2.gz XRRBVJXKKGARIP-BZUAXINKSA-N 2 1 354.495 0.202 10 0 FCAEMP C[NH+]1CCC(CNC(=O)COC2CC[NH2+]CC2)(N2CCCCC2)CC1 ZINC000573203426 491418748 /nfs/dbraw/zinc/41/87/48/491418748.db2.gz FWFJVIIOOCVXPT-UHFFFAOYSA-N 2 1 352.523 0.822 10 0 FCAEMP CN(C(=O)C(=O)NCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574025430 491469405 /nfs/dbraw/zinc/46/94/05/491469405.db2.gz PLTIEUOUZHALDK-GOSISDBHSA-N 2 1 358.486 0.835 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509905 491501594 /nfs/dbraw/zinc/50/15/94/491501594.db2.gz PWEYDONHPWTDRF-SJORKVTESA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509905 491501597 /nfs/dbraw/zinc/50/15/97/491501597.db2.gz PWEYDONHPWTDRF-SJORKVTESA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509905 491501598 /nfs/dbraw/zinc/50/15/98/491501598.db2.gz PWEYDONHPWTDRF-SJORKVTESA-N 2 1 353.507 0.839 10 0 FCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)[C@H](C)CN1CCO ZINC000574549050 491504653 /nfs/dbraw/zinc/50/46/53/491504653.db2.gz BDZWPKMTXMQLNC-BRSBDYLESA-N 2 1 368.522 0.726 10 0 FCAEMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000575119500 491540124 /nfs/dbraw/zinc/54/01/24/491540124.db2.gz SOGCIJNAGMNCOO-KRWDZBQOSA-N 2 1 360.458 0.003 10 0 FCAEMP CCN(C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 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ZINC000655552372 492455883 /nfs/dbraw/zinc/45/58/83/492455883.db2.gz XIURTFWXEOQLQR-AEFFLSMTSA-N 2 1 367.538 0.301 10 0 FCAEMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552372 492455888 /nfs/dbraw/zinc/45/58/88/492455888.db2.gz XIURTFWXEOQLQR-AEFFLSMTSA-N 2 1 367.538 0.301 10 0 FCAEMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552374 492455915 /nfs/dbraw/zinc/45/59/15/492455915.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 2 1 367.538 0.301 10 0 FCAEMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552374 492455918 /nfs/dbraw/zinc/45/59/18/492455918.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 2 1 367.538 0.301 10 0 FCAEMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552374 492455921 /nfs/dbraw/zinc/45/59/21/492455921.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 2 1 367.538 0.301 10 0 FCAEMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552374 492455925 /nfs/dbraw/zinc/45/59/25/492455925.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 2 1 367.538 0.301 10 0 FCAEMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552374 492455929 /nfs/dbraw/zinc/45/59/29/492455929.db2.gz XIURTFWXEOQLQR-FUHWJXTLSA-N 2 1 367.538 0.301 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)[C@H]1c1ccccc1 ZINC000643469969 492471614 /nfs/dbraw/zinc/47/16/14/492471614.db2.gz APAHBAQXCJGZEP-DLBZAZTESA-N 2 1 356.470 0.903 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)CC2 ZINC000643526305 492491020 /nfs/dbraw/zinc/49/10/20/492491020.db2.gz YIETWMWPPAQSSW-VQHPVUNQSA-N 2 1 350.507 0.903 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC[NH2+]1 ZINC000643526229 492491075 /nfs/dbraw/zinc/49/10/75/492491075.db2.gz VNECGDKQLLZHLE-IXDOHACOSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970922 492500381 /nfs/dbraw/zinc/50/03/81/492500381.db2.gz NAMUAABKWVYCLR-WCXIOVBPSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970922 492500385 /nfs/dbraw/zinc/50/03/85/492500385.db2.gz NAMUAABKWVYCLR-WCXIOVBPSA-N 2 1 353.511 0.173 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019545 492518896 /nfs/dbraw/zinc/51/88/96/492518896.db2.gz FUGYGCUYEJUSEO-QZTJIDSGSA-N 2 1 373.501 0.811 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656019548 492519445 /nfs/dbraw/zinc/51/94/45/492519445.db2.gz FUGYGCUYEJUSEO-ZWKOTPCHSA-N 2 1 373.501 0.811 10 0 FCAEMP CC1(OCC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[NH2+]C1 ZINC000649320971 492531899 /nfs/dbraw/zinc/53/18/99/492531899.db2.gz HEPMMJXXEUXJLF-KRWDZBQOSA-N 2 1 374.485 0.379 10 0 FCAEMP CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656259469 492566799 /nfs/dbraw/zinc/56/67/99/492566799.db2.gz IUDIBSADSDHMTF-UAGQMJEPSA-N 2 1 359.536 0.937 10 0 FCAEMP C[NH+](C)CCN1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1=O ZINC000649685002 492571166 /nfs/dbraw/zinc/57/11/66/492571166.db2.gz KLSLBJIVCFWBGR-HXUWFJFHSA-N 2 1 374.529 0.983 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692043 492641973 /nfs/dbraw/zinc/64/19/73/492641973.db2.gz YNZHVOLTTKXSBX-DLBZAZTESA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692043 492641974 /nfs/dbraw/zinc/64/19/74/492641974.db2.gz YNZHVOLTTKXSBX-DLBZAZTESA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692043 492641975 /nfs/dbraw/zinc/64/19/75/492641975.db2.gz YNZHVOLTTKXSBX-DLBZAZTESA-N 2 1 353.507 0.839 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC000629592838 492657446 /nfs/dbraw/zinc/65/74/46/492657446.db2.gz DWNFMOXNRNMDFV-CALCHBBNSA-N 2 1 366.487 0.594 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC000629592838 492657450 /nfs/dbraw/zinc/65/74/50/492657450.db2.gz DWNFMOXNRNMDFV-CALCHBBNSA-N 2 1 366.487 0.594 10 0 FCAEMP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCCC[C@H]1C ZINC000650642117 492657818 /nfs/dbraw/zinc/65/78/18/492657818.db2.gz UBBYWIQQFQLJMU-CVEARBPZSA-N 2 1 353.511 0.665 10 0 FCAEMP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000650642504 492657983 /nfs/dbraw/zinc/65/79/83/492657983.db2.gz FDGFUOYRXRLGEF-CVEARBPZSA-N 2 1 353.511 0.522 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1=O ZINC000624544880 492658215 /nfs/dbraw/zinc/65/82/15/492658215.db2.gz HNJHNBQSFPQYHW-QGZVFWFLSA-N 2 1 365.522 0.809 10 0 FCAEMP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595738 492658465 /nfs/dbraw/zinc/65/84/65/492658465.db2.gz WFKBKRAJRUNMPY-IKGGRYGDSA-N 2 1 355.504 0.179 10 0 FCAEMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595738 492658467 /nfs/dbraw/zinc/65/84/67/492658467.db2.gz WFKBKRAJRUNMPY-IKGGRYGDSA-N 2 1 355.504 0.179 10 0 FCAEMP C[NH+](C)CCn1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000631141757 492799773 /nfs/dbraw/zinc/79/97/73/492799773.db2.gz WUVWOQQBXUPPEG-SFHVURJKSA-N 2 1 362.522 0.687 10 0 FCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000658126552 492841583 /nfs/dbraw/zinc/84/15/83/492841583.db2.gz NBAXEDXKZBGJPA-ZDUSSCGKSA-N 2 1 350.467 0.372 10 0 FCAEMP CCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000658361737 492865537 /nfs/dbraw/zinc/86/55/37/492865537.db2.gz OPPISTBGMQTYOE-OAHLLOKOSA-N 2 1 362.478 0.641 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631914729 492880124 /nfs/dbraw/zinc/88/01/24/492880124.db2.gz WENOQXHXTVAOME-PVAVHDDUSA-N 2 1 353.488 0.730 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152206 492888105 /nfs/dbraw/zinc/88/81/05/492888105.db2.gz GYCCYERRSBZPAE-HLLBOEOZSA-N 2 1 353.511 0.160 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152206 492888108 /nfs/dbraw/zinc/88/81/08/492888108.db2.gz GYCCYERRSBZPAE-HLLBOEOZSA-N 2 1 353.511 0.160 10 0 FCAEMP C[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000645310175 492891657 /nfs/dbraw/zinc/89/16/57/492891657.db2.gz UGQKHHPFASFAAX-MRXNPFEDSA-N 2 1 354.495 0.461 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCOCCC[NH3+])c1 ZINC000625852625 492894720 /nfs/dbraw/zinc/89/47/20/492894720.db2.gz OXAFPDLZAXIHCQ-INIZCTEOSA-N 2 1 363.462 0.623 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCOCCC[NH3+])c1 ZINC000625852625 492894722 /nfs/dbraw/zinc/89/47/22/492894722.db2.gz OXAFPDLZAXIHCQ-INIZCTEOSA-N 2 1 363.462 0.623 10 0 FCAEMP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000652224557 492896963 /nfs/dbraw/zinc/89/69/63/492896963.db2.gz BPSWTWFHPYPYQY-MRXNPFEDSA-N 2 1 353.511 0.570 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000652224557 492896969 /nfs/dbraw/zinc/89/69/69/492896969.db2.gz BPSWTWFHPYPYQY-MRXNPFEDSA-N 2 1 353.511 0.570 10 0 FCAEMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631950869 492896965 /nfs/dbraw/zinc/89/69/65/492896965.db2.gz SMZMPKOSTRJIKJ-ROUUACIJSA-N 2 1 367.515 0.553 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658488086 492911406 /nfs/dbraw/zinc/91/14/06/492911406.db2.gz YWVKKYIZVXFJBE-DLBZAZTESA-N 2 1 368.522 0.356 10 0 FCAEMP COCCCS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363075 492916295 /nfs/dbraw/zinc/91/62/95/492916295.db2.gz XHWRGAILEWEIMJ-BZUAXINKSA-N 2 1 363.524 0.303 10 0 FCAEMP CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632104586 492930424 /nfs/dbraw/zinc/93/04/24/492930424.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 1 367.515 0.853 10 0 FCAEMP CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632104586 492930426 /nfs/dbraw/zinc/93/04/26/492930426.db2.gz JUFGBTRKJYOBNO-ZWKOTPCHSA-N 2 1 367.515 0.853 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[C@H]1C[NH3+] ZINC000652635762 492974046 /nfs/dbraw/zinc/97/40/46/492974046.db2.gz GFSLZVSMRDBXTO-TZMCWYRMSA-N 2 1 358.402 0.028 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652666908 492982345 /nfs/dbraw/zinc/98/23/45/492982345.db2.gz WZKFLNBSBOPVMS-KZNAEPCWSA-N 2 1 374.485 0.199 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652671086 492984183 /nfs/dbraw/zinc/98/41/83/492984183.db2.gz PUHRUXMUFBCEGY-IAGOWNOFSA-N 2 1 362.474 0.057 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658624382 492985132 /nfs/dbraw/zinc/98/51/32/492985132.db2.gz NBIRMVLUNBHUGG-ZACQAIPSSA-N 2 1 368.522 0.497 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000652712113 492997519 /nfs/dbraw/zinc/99/75/19/492997519.db2.gz JBDGILLMICBVDX-UHFFFAOYSA-N 2 1 358.486 0.619 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728455 493006784 /nfs/dbraw/zinc/00/67/84/493006784.db2.gz LRAPSTHNLYRXIR-HUUCEWRRSA-N 2 1 354.495 0.141 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH3+] ZINC000652730071 493008261 /nfs/dbraw/zinc/00/82/61/493008261.db2.gz HLJZCJXFIAVMAQ-BZUAXINKSA-N 2 1 354.495 0.141 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000646119999 493017246 /nfs/dbraw/zinc/01/72/46/493017246.db2.gz TWNINICORBQZBB-FQEVSTJZSA-N 2 1 371.529 0.948 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000626794385 493019567 /nfs/dbraw/zinc/01/95/67/493019567.db2.gz IZFTYEOAZDUUKT-JKSUJKDBSA-N 2 1 358.442 0.850 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000658802462 493060316 /nfs/dbraw/zinc/06/03/16/493060316.db2.gz KIJQWRHKICMKDT-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCOC ZINC000658802462 493060320 /nfs/dbraw/zinc/06/03/20/493060320.db2.gz KIJQWRHKICMKDT-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCOC ZINC000658802462 493060325 /nfs/dbraw/zinc/06/03/25/493060325.db2.gz KIJQWRHKICMKDT-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000658802462 493060326 /nfs/dbraw/zinc/06/03/26/493060326.db2.gz KIJQWRHKICMKDT-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658805369 493062983 /nfs/dbraw/zinc/06/29/83/493062983.db2.gz WXSAPIZGXCWSAZ-DLBZAZTESA-N 2 1 366.506 0.110 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658808167 493064434 /nfs/dbraw/zinc/06/44/34/493064434.db2.gz UULPDFRVRMEKFE-KRWDZBQOSA-N 2 1 350.507 0.873 10 0 FCAEMP CC(C)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CC[NH+](C)CC1 ZINC000626930140 493065828 /nfs/dbraw/zinc/06/58/28/493065828.db2.gz XMDSGCRCQXURIO-QRQLOZEOSA-N 2 1 351.539 0.899 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826701 493073563 /nfs/dbraw/zinc/07/35/63/493073563.db2.gz RKODSVDHKVWIOB-SJORKVTESA-N 2 1 350.507 0.873 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000626980945 493073541 /nfs/dbraw/zinc/07/35/41/493073541.db2.gz WUZZHKINBLIPIL-QRQLOZEOSA-N 2 1 365.522 0.034 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658827192 493073878 /nfs/dbraw/zinc/07/38/78/493073878.db2.gz TVZFHPZZUOWFLA-IAGOWNOFSA-N 2 1 366.506 0.110 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658827192 493073884 /nfs/dbraw/zinc/07/38/84/493073884.db2.gz TVZFHPZZUOWFLA-IAGOWNOFSA-N 2 1 366.506 0.110 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985393 493074729 /nfs/dbraw/zinc/07/47/29/493074729.db2.gz GHJPPOJLLUDGHL-SJLPKXTDSA-N 2 1 364.490 0.811 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985393 493074734 /nfs/dbraw/zinc/07/47/34/493074734.db2.gz GHJPPOJLLUDGHL-SJLPKXTDSA-N 2 1 364.490 0.811 10 0 FCAEMP CN(CCOCC[NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000626989565 493075991 /nfs/dbraw/zinc/07/59/91/493075991.db2.gz ZYCHVSBBYHUVOY-UHFFFAOYSA-N 2 1 355.527 0.553 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627019859 493082007 /nfs/dbraw/zinc/08/20/07/493082007.db2.gz SPSBPRRWLXYMBQ-GOSISDBHSA-N 2 1 364.490 0.942 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH2+]1 ZINC000627035024 493083302 /nfs/dbraw/zinc/08/33/02/493083302.db2.gz SUADAJGRZUKVGM-FVPDABNVSA-N 2 1 351.495 0.510 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153195 493097406 /nfs/dbraw/zinc/09/74/06/493097406.db2.gz RPBMFBPNDDYLDX-MRXNPFEDSA-N 2 1 353.511 0.306 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)[N@H+]1C ZINC000658927665 493111905 /nfs/dbraw/zinc/11/19/05/493111905.db2.gz VEEPAHUQBRDIAX-OWCLPIDISA-N 2 1 354.495 0.107 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)[N@@H+]1C ZINC000658927665 493111908 /nfs/dbraw/zinc/11/19/08/493111908.db2.gz VEEPAHUQBRDIAX-OWCLPIDISA-N 2 1 354.495 0.107 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000627238553 493115583 /nfs/dbraw/zinc/11/55/83/493115583.db2.gz ISHAYNVEJRZMQB-DOTOQJQBSA-N 2 1 365.522 0.713 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633077884 493116932 /nfs/dbraw/zinc/11/69/32/493116932.db2.gz FTTVMIQCADUXHA-KBAYOESNSA-N 2 1 358.486 0.773 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000633096747 493123484 /nfs/dbraw/zinc/12/34/84/493123484.db2.gz AMMAIUXWFZGXKQ-IRXDYDNUSA-N 2 1 350.507 0.907 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633097850 493124187 /nfs/dbraw/zinc/12/41/87/493124187.db2.gz UVJAJTXEOYFCFA-KBAYOESNSA-N 2 1 358.486 0.773 10 0 FCAEMP CC(CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646918152 493126664 /nfs/dbraw/zinc/12/66/64/493126664.db2.gz OEWLUHMIHQQTDF-BDXSIMOUSA-N 2 1 362.518 0.728 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296689 493139138 /nfs/dbraw/zinc/13/91/38/493139138.db2.gz PACXENOOVAYXDH-CABCVRRESA-N 2 1 352.479 0.004 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659072274 493139903 /nfs/dbraw/zinc/13/99/03/493139903.db2.gz DPEWELAPRXVGBQ-KRWDZBQOSA-N 2 1 360.458 0.840 10 0 FCAEMP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000659080808 493144091 /nfs/dbraw/zinc/14/40/91/493144091.db2.gz SXJKTVGUMJYLDP-SFHVURJKSA-N 2 1 372.469 0.983 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311575 493145900 /nfs/dbraw/zinc/14/59/00/493145900.db2.gz CALOIFNAUDXOPH-STEAMIEHSA-N 2 1 350.507 0.681 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@@H+](C)C1 ZINC000647025807 493148088 /nfs/dbraw/zinc/14/80/88/493148088.db2.gz SBCRLFMHRURQIE-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000647025807 493148093 /nfs/dbraw/zinc/14/80/93/493148093.db2.gz SBCRLFMHRURQIE-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000647025807 493148096 /nfs/dbraw/zinc/14/80/96/493148096.db2.gz SBCRLFMHRURQIE-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC)[NH+]1CCOCC1 ZINC000627324521 493153680 /nfs/dbraw/zinc/15/36/80/493153680.db2.gz 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DZVZVVODHXWFMU-WBVHZDCISA-N 2 1 354.495 0.507 10 0 FCAEMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000921668731 667216038 /nfs/dbraw/zinc/21/60/38/667216038.db2.gz WLWGIVZCCAAQJD-SJORKVTESA-N 2 1 369.579 0.891 10 0 FCAEMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000923279011 667821612 /nfs/dbraw/zinc/82/16/12/667821612.db2.gz AFYCELOHXZBSPH-CABCVRRESA-N 2 1 361.552 0.919 10 0 FCAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000923279011 667821617 /nfs/dbraw/zinc/82/16/17/667821617.db2.gz AFYCELOHXZBSPH-CABCVRRESA-N 2 1 361.552 0.919 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)COc1ccccc1F)C2 ZINC000923428543 667833594 /nfs/dbraw/zinc/83/35/94/667833594.db2.gz IWNPDEXJCNPEGL-AHXJXLJNSA-N 2 1 352.406 0.778 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000923462875 667838282 /nfs/dbraw/zinc/83/82/82/667838282.db2.gz COMVCXJBCVMRTM-UHFFFAOYSA-N 2 1 360.380 0.696 10 0 FCAEMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)S(C)(=O)=O ZINC000923498899 667841675 /nfs/dbraw/zinc/84/16/75/667841675.db2.gz QRKKSHGTQBBOIA-CABCVRRESA-N 2 1 362.540 0.079 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923501633 667842254 /nfs/dbraw/zinc/84/22/54/667842254.db2.gz UTWHUUAJTUFMLY-VXGBXAGGSA-N 2 1 354.401 0.936 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1C[NH3+] ZINC000923507856 667842273 /nfs/dbraw/zinc/84/22/73/667842273.db2.gz KVTFJXKGMIRLJQ-ZIAGYGMSSA-N 2 1 368.503 0.792 10 0 FCAEMP Cc1cc(NC[C@H](O)CN2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000819491594 669006606 /nfs/dbraw/zinc/00/66/06/669006606.db2.gz LHPAMOVNWOIZOY-SFHVURJKSA-N 2 1 350.507 0.956 10 0 FCAEMP CCN(OC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000828160320 669621394 /nfs/dbraw/zinc/62/13/94/669621394.db2.gz XOCBPGNCPJIUPR-HNNXBMFYSA-N 2 1 357.499 0.454 10 0 FCAEMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000842671442 670709397 /nfs/dbraw/zinc/70/93/97/670709397.db2.gz UHAHAACWVNKVPS-UHFFFAOYSA-N 2 1 372.510 0.980 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849499841 671351823 /nfs/dbraw/zinc/35/18/23/671351823.db2.gz NPUULNXDEAUQEN-IAGOWNOFSA-N 2 1 351.495 0.540 10 0 FCAEMP COCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849499841 671351827 /nfs/dbraw/zinc/35/18/27/671351827.db2.gz NPUULNXDEAUQEN-IAGOWNOFSA-N 2 1 351.495 0.540 10 0 FCAEMP COCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849499841 671351831 /nfs/dbraw/zinc/35/18/31/671351831.db2.gz NPUULNXDEAUQEN-IAGOWNOFSA-N 2 1 351.495 0.540 10 0 FCAEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000852761772 671524535 /nfs/dbraw/zinc/52/45/35/671524535.db2.gz ZXDHFXUEJQZGOP-MRXNPFEDSA-N 2 1 355.504 0.919 10 0 FCAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000852761772 671524538 /nfs/dbraw/zinc/52/45/38/671524538.db2.gz ZXDHFXUEJQZGOP-MRXNPFEDSA-N 2 1 355.504 0.919 10 0 FCAEMP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc(Cl)n1 ZINC000852914270 671531706 /nfs/dbraw/zinc/53/17/06/671531706.db2.gz RIYROAUACAWPNF-HUUCEWRRSA-N 2 1 351.882 0.939 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000855345874 671637806 /nfs/dbraw/zinc/63/78/06/671637806.db2.gz JKVGHOLOVMEYFC-LBPRGKRZSA-N 2 1 374.482 0.475 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000855345874 671637809 /nfs/dbraw/zinc/63/78/09/671637809.db2.gz JKVGHOLOVMEYFC-LBPRGKRZSA-N 2 1 374.482 0.475 10 0 FCAEMP NS(=O)(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)co1 ZINC000903505845 675935263 /nfs/dbraw/zinc/93/52/63/675935263.db2.gz JACAJIOBZWUAMD-GASCZTMLSA-N 2 1 354.476 0.328 10 0 FCAEMP C[Si](C)(CC[NH+]1CCC(CO)(CO)C1)CC[N@H+]1CCC(CO)(CO)C1 ZINC000859357092 671819241 /nfs/dbraw/zinc/81/92/41/671819241.db2.gz IBIIVADMENHZTM-UHFFFAOYSA-N 2 1 374.598 0.048 10 0 FCAEMP 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Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](CCCF)CC2)cn1 ZINC000862115045 672028699 /nfs/dbraw/zinc/02/86/99/672028699.db2.gz ROZPYZJYGLRZRN-IRXDYDNUSA-N 2 1 351.470 0.959 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](CCCF)CC2)cn1 ZINC000862115045 672028703 /nfs/dbraw/zinc/02/87/03/672028703.db2.gz ROZPYZJYGLRZRN-IRXDYDNUSA-N 2 1 351.470 0.959 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903787018 675973260 /nfs/dbraw/zinc/97/32/60/675973260.db2.gz HHURNJIPNBXYNR-JMSVASOKSA-N 2 1 362.396 0.279 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cnn1C ZINC000903884036 675980598 /nfs/dbraw/zinc/98/05/98/675980598.db2.gz PTESSOFZTZUQCD-GOEBONIOSA-N 2 1 357.524 0.250 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cnn1C ZINC000903884036 675980599 /nfs/dbraw/zinc/98/05/99/675980599.db2.gz PTESSOFZTZUQCD-GOEBONIOSA-N 2 1 357.524 0.250 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cnn1C ZINC000903892074 675980835 /nfs/dbraw/zinc/98/08/35/675980835.db2.gz GQXITXZSXDLBOM-GXTWGEPZSA-N 2 1 361.412 0.941 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cnn1C ZINC000903892074 675980837 /nfs/dbraw/zinc/98/08/37/675980837.db2.gz GQXITXZSXDLBOM-GXTWGEPZSA-N 2 1 361.412 0.941 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000864413682 672195179 /nfs/dbraw/zinc/19/51/79/672195179.db2.gz CGZHMAJYBGCXKS-AWEZNQCLSA-N 2 1 358.483 0.280 10 0 FCAEMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707775 672290271 /nfs/dbraw/zinc/29/02/71/672290271.db2.gz JTJLUDGZRFKZJO-QCODTGAPSA-N 2 1 350.463 0.358 10 0 FCAEMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707775 672290274 /nfs/dbraw/zinc/29/02/74/672290274.db2.gz JTJLUDGZRFKZJO-QCODTGAPSA-N 2 1 350.463 0.358 10 0 FCAEMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709624 672290631 /nfs/dbraw/zinc/29/06/31/672290631.db2.gz SUWMAPZJTKJXAO-CWVYHPPDSA-N 2 1 350.463 0.548 10 0 FCAEMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709624 672290634 /nfs/dbraw/zinc/29/06/34/672290634.db2.gz SUWMAPZJTKJXAO-CWVYHPPDSA-N 2 1 350.463 0.548 10 0 FCAEMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866711984 672291264 /nfs/dbraw/zinc/29/12/64/672291264.db2.gz PLNGBMWRNSAODW-UHTWSYAYSA-N 2 1 351.428 0.902 10 0 FCAEMP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866711984 672291266 /nfs/dbraw/zinc/29/12/66/672291266.db2.gz PLNGBMWRNSAODW-UHTWSYAYSA-N 2 1 351.428 0.902 10 0 FCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000867542016 672334531 /nfs/dbraw/zinc/33/45/31/672334531.db2.gz ZLWVTWZMUZCGDJ-BBWFWOEESA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000867542016 672334535 /nfs/dbraw/zinc/33/45/35/672334535.db2.gz ZLWVTWZMUZCGDJ-BBWFWOEESA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000867542016 672334539 /nfs/dbraw/zinc/33/45/39/672334539.db2.gz ZLWVTWZMUZCGDJ-BBWFWOEESA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@H]1CC[N@@H+](C)C1 ZINC000867629208 672350320 /nfs/dbraw/zinc/35/03/20/672350320.db2.gz CCMMYBVPOIUBOU-INIZCTEOSA-N 2 1 350.507 0.873 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)CC[C@H]21 ZINC000868409312 672399182 /nfs/dbraw/zinc/39/91/82/672399182.db2.gz BNHWTHNPDJOURI-CLCXKQKWSA-N 2 1 350.507 0.763 10 0 FCAEMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872187116 672597232 /nfs/dbraw/zinc/59/72/32/672597232.db2.gz DBISXERXZDFONE-QWHCGFSZSA-N 2 1 364.412 0.525 10 0 FCAEMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1C(F)(F)F ZINC000872188682 672597990 /nfs/dbraw/zinc/59/79/90/672597990.db2.gz YWSGOCGPGIQTQD-QWHCGFSZSA-N 2 1 362.396 0.136 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872194106 672601874 /nfs/dbraw/zinc/60/18/74/672601874.db2.gz FLKMIKLHKPMNSD-SDDRHHMPSA-N 2 1 350.385 0.135 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C2)C1 ZINC000872194716 672602873 /nfs/dbraw/zinc/60/28/73/672602873.db2.gz KEMRUHSVQVCFEK-XUJVJEKNSA-N 2 1 362.396 0.136 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC[N@H+]1C ZINC000872252870 672608174 /nfs/dbraw/zinc/60/81/74/672608174.db2.gz WNAXZDHFICBASJ-JJXSEGSLSA-N 2 1 350.463 0.500 10 0 FCAEMP COC1CC[NH+](CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925155650 673778370 /nfs/dbraw/zinc/77/83/70/673778370.db2.gz XDBIUIXTXPBXSE-HOTGVXAUSA-N 2 1 356.536 0.976 10 0 FCAEMP 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368.522 0.402 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1OC ZINC001489535879 1208897315 /nfs/dbraw/zinc/89/73/15/1208897315.db2.gz ZSXBGRKYDODGMS-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1OC ZINC001489535879 1208897316 /nfs/dbraw/zinc/89/73/16/1208897316.db2.gz ZSXBGRKYDODGMS-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]1O ZINC001489588671 1209008084 /nfs/dbraw/zinc/00/80/84/1209008084.db2.gz DJJKVKUXCAPFTC-OAGGEKHMSA-N 2 1 368.522 0.279 10 0 FCAEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1O ZINC001489588671 1209008087 /nfs/dbraw/zinc/00/80/87/1209008087.db2.gz DJJKVKUXCAPFTC-OAGGEKHMSA-N 2 1 368.522 0.279 10 0 FCAEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1O ZINC001489588671 1209008091 /nfs/dbraw/zinc/00/80/91/1209008091.db2.gz DJJKVKUXCAPFTC-OAGGEKHMSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001490039719 1209221279 /nfs/dbraw/zinc/22/12/79/1209221279.db2.gz DZLBCEXIEGXASX-IKGGRYGDSA-N 2 1 350.507 0.587 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]3C2)C1 ZINC001490050553 1209228332 /nfs/dbraw/zinc/22/83/32/1209228332.db2.gz BFNGZKKCQAEYHQ-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001490110885 1209237161 /nfs/dbraw/zinc/23/71/61/1209237161.db2.gz IPAAPAYKKKQFHU-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001490300354 1209301733 /nfs/dbraw/zinc/30/17/33/1209301733.db2.gz AQXLHMWVRGMCAY-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001490300354 1209301739 /nfs/dbraw/zinc/30/17/39/1209301739.db2.gz AQXLHMWVRGMCAY-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001490300354 1209301743 /nfs/dbraw/zinc/30/17/43/1209301743.db2.gz AQXLHMWVRGMCAY-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001490321308 1209316674 /nfs/dbraw/zinc/31/66/74/1209316674.db2.gz XYMGSHKYZDVOIF-GDBMZVCRSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001490321308 1209316679 /nfs/dbraw/zinc/31/66/79/1209316679.db2.gz XYMGSHKYZDVOIF-GDBMZVCRSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001490341509 1209325997 /nfs/dbraw/zinc/32/59/97/1209325997.db2.gz PFWDRHVORNHVPW-DTZQCDIJSA-N 2 1 361.490 0.812 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001490482984 1209357570 /nfs/dbraw/zinc/35/75/70/1209357570.db2.gz DFLCZRKLYDVGCH-FRQCXROJSA-N 2 1 350.507 0.920 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2CC2)CC[N@H+]1C ZINC001490665776 1209397741 /nfs/dbraw/zinc/39/77/41/1209397741.db2.gz TZYFSRONBNYEEO-BMFZPTHFSA-N 2 1 367.538 0.909 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851678926 1209509620 /nfs/dbraw/zinc/50/96/20/1209509620.db2.gz OFPSDOVWBIUABO-QYZOEREBSA-N 2 1 357.502 0.806 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000851678926 1209509626 /nfs/dbraw/zinc/50/96/26/1209509626.db2.gz OFPSDOVWBIUABO-QYZOEREBSA-N 2 1 357.502 0.806 10 0 FCAEMP [NH3+]C[C@H]1CC(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)=NO1 ZINC000852873314 1209571860 /nfs/dbraw/zinc/57/18/60/1209571860.db2.gz RKDZIMSWCITKOI-QGZVFWFLSA-N 2 1 359.474 0.414 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000855346300 1209666535 /nfs/dbraw/zinc/66/65/35/1209666535.db2.gz VQRVEPVRLKXXPK-AWEZNQCLSA-N 2 1 359.474 0.935 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000855346300 1209666540 /nfs/dbraw/zinc/66/65/40/1209666540.db2.gz VQRVEPVRLKXXPK-AWEZNQCLSA-N 2 1 359.474 0.935 10 0 FCAEMP CNC(=O)NC(=O)CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597127 1209716791 /nfs/dbraw/zinc/71/67/91/1209716791.db2.gz DUGGCWZOZZKCTG-INIZCTEOSA-N 2 1 363.462 0.831 10 0 FCAEMP O=C1OC[C@@H]2C[N@@H+](Cc3cncc(C[NH+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860168367 1209842018 /nfs/dbraw/zinc/84/20/18/1209842018.db2.gz UUMTZSWZEVUXHA-WNKDZCFJSA-N 2 1 357.410 0.291 10 0 FCAEMP O=C1OC[C@@H]2C[NH+](Cc3cncc(C[N@@H+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860168367 1209842021 /nfs/dbraw/zinc/84/20/21/1209842021.db2.gz UUMTZSWZEVUXHA-WNKDZCFJSA-N 2 1 357.410 0.291 10 0 FCAEMP O=C1OC[C@@H]2C[NH+](Cc3cncc(C[N@H+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860168367 1209842022 /nfs/dbraw/zinc/84/20/22/1209842022.db2.gz UUMTZSWZEVUXHA-WNKDZCFJSA-N 2 1 357.410 0.291 10 0 FCAEMP 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Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2=O)cc1 ZINC000866714840 1210005189 /nfs/dbraw/zinc/00/51/89/1210005189.db2.gz YQQFNVBAUPVJCO-TVFCKZIOSA-N 2 1 370.453 0.967 10 0 FCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000867525444 1210010909 /nfs/dbraw/zinc/01/09/09/1210010909.db2.gz TYBFWKXPMUESCW-ILXRZTDVSA-N 2 1 372.510 0.355 10 0 FCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000867525444 1210010910 /nfs/dbraw/zinc/01/09/10/1210010910.db2.gz TYBFWKXPMUESCW-ILXRZTDVSA-N 2 1 372.510 0.355 10 0 FCAEMP CCN(C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H]1CC[N@H+](C)C1 ZINC000867629790 1210019054 /nfs/dbraw/zinc/01/90/54/1210019054.db2.gz GAHOTEJISGQRGU-INIZCTEOSA-N 2 1 366.506 0.110 10 0 FCAEMP CCN(C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H]1CC[N@@H+](C)C1 ZINC000867629790 1210019057 /nfs/dbraw/zinc/01/90/57/1210019057.db2.gz GAHOTEJISGQRGU-INIZCTEOSA-N 2 1 366.506 0.110 10 0 FCAEMP 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C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC[C@@H]1C[NH3+] ZINC000926348601 1211537276 /nfs/dbraw/zinc/53/72/76/1211537276.db2.gz SSXFISJLBBFVBE-OWCLPIDISA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC000926416459 1211547249 /nfs/dbraw/zinc/54/72/49/1211547249.db2.gz PYDUHIFONHXNLE-BHIYHBOVSA-N 2 1 372.513 0.815 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC000926416459 1211547251 /nfs/dbraw/zinc/54/72/51/1211547251.db2.gz PYDUHIFONHXNLE-BHIYHBOVSA-N 2 1 372.513 0.815 10 0 FCAEMP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000927816985 1211583355 /nfs/dbraw/zinc/58/33/55/1211583355.db2.gz XVKLVPPHOYHGKO-VYDXJSESSA-N 2 1 374.485 0.990 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nn1C ZINC000927836662 1211584337 /nfs/dbraw/zinc/58/43/37/1211584337.db2.gz VZSNJRMHVNGESA-GASCZTMLSA-N 2 1 360.462 0.094 10 0 FCAEMP 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C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC000929169551 1211620834 /nfs/dbraw/zinc/62/08/34/1211620834.db2.gz YWTGXMUYVWASCE-QINHECLXSA-N 2 1 374.485 0.943 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCCCC1 ZINC000929604575 1211649914 /nfs/dbraw/zinc/64/99/14/1211649914.db2.gz DVYZPCWTQLKXHX-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CCC3(O)CCC3)CC2)CC1 ZINC000929971765 1211677027 /nfs/dbraw/zinc/67/70/27/1211677027.db2.gz MJPCPSHBUUWQEP-SFHVURJKSA-N 2 1 367.534 0.919 10 0 FCAEMP CC(C)[C@]1(C(=O)NC[C@@H]2CC[NH+](C)C2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000930361991 1211705575 /nfs/dbraw/zinc/70/55/75/1211705575.db2.gz BDOMFWSAPHTSKN-NHAYFPRASA-N 2 1 364.534 0.785 10 0 FCAEMP CC(C)[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000930361991 1211705578 /nfs/dbraw/zinc/70/55/78/1211705578.db2.gz BDOMFWSAPHTSKN-NHAYFPRASA-N 2 1 364.534 0.785 10 0 FCAEMP CC(C)[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000930361991 1211705580 /nfs/dbraw/zinc/70/55/80/1211705580.db2.gz BDOMFWSAPHTSKN-NHAYFPRASA-N 2 1 364.534 0.785 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000930804932 1211722798 /nfs/dbraw/zinc/72/27/98/1211722798.db2.gz CTHSVFWPOYQSFJ-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000930804932 1211722801 /nfs/dbraw/zinc/72/28/01/1211722801.db2.gz CTHSVFWPOYQSFJ-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000930804932 1211722806 /nfs/dbraw/zinc/72/28/06/1211722806.db2.gz CTHSVFWPOYQSFJ-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930818527 1211723551 /nfs/dbraw/zinc/72/35/51/1211723551.db2.gz IMSYJFYONHYYHP-IRXDYDNUSA-N 2 1 371.441 0.008 10 0 FCAEMP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000931001642 1211734005 /nfs/dbraw/zinc/73/40/05/1211734005.db2.gz XYKZFSKPRVCBAP-WBVHZDCISA-N 2 1 368.522 0.593 10 0 FCAEMP Cc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@@H+](C)[C@@H](CO)C3)CC2)cc1 ZINC000931403370 1211752801 /nfs/dbraw/zinc/75/28/01/1211752801.db2.gz KZMHTTFDSABWQG-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccc(C[NH+]2CCCN(C(=O)CN3CC[N@H+](C)[C@@H](CO)C3)CC2)cc1 ZINC000931403370 1211752804 /nfs/dbraw/zinc/75/28/04/1211752804.db2.gz KZMHTTFDSABWQG-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C)[C@@H](CO)C3)CC2)cc1 ZINC000931403370 1211752807 /nfs/dbraw/zinc/75/28/07/1211752807.db2.gz KZMHTTFDSABWQG-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C)[C@@H](CO)C3)CC2)cc1 ZINC000931403370 1211752816 /nfs/dbraw/zinc/75/28/16/1211752816.db2.gz KZMHTTFDSABWQG-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000931614687 1211764258 /nfs/dbraw/zinc/76/42/58/1211764258.db2.gz BDWQUUAPIFQTDZ-KRWDZBQOSA-N 2 1 359.474 0.897 10 0 FCAEMP COc1ccc(CNC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000779649182 1212804064 /nfs/dbraw/zinc/80/40/64/1212804064.db2.gz IVNNUDUWGYZONH-MRXNPFEDSA-N 2 1 364.446 0.919 10 0 FCAEMP COc1ccc(CNC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000779649182 1212804068 /nfs/dbraw/zinc/80/40/68/1212804068.db2.gz IVNNUDUWGYZONH-MRXNPFEDSA-N 2 1 364.446 0.919 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000779651704 1212805917 /nfs/dbraw/zinc/80/59/17/1212805917.db2.gz JPYNUPWQCJOGLC-MRXNPFEDSA-N 3 1 367.494 0.337 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000779651704 1212805919 /nfs/dbraw/zinc/80/59/19/1212805919.db2.gz JPYNUPWQCJOGLC-MRXNPFEDSA-N 3 1 367.494 0.337 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](C[C@@H](O)COC)C[C@]3(C)C2)CC[N@H+]1C ZINC001276901416 1225716764 /nfs/dbraw/zinc/71/67/64/1225716764.db2.gz NDPKGQRTSNZYMY-DSJDWBEOSA-N 2 1 367.534 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+](C[C@@H](O)COC)C[C@]3(C)C2)CC[NH+]1C ZINC001276901416 1225716768 /nfs/dbraw/zinc/71/67/68/1225716768.db2.gz NDPKGQRTSNZYMY-DSJDWBEOSA-N 2 1 367.534 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](C[C@@H](O)COC)C[C@]3(C)C2)CC[NH+]1C ZINC001276901416 1225716771 /nfs/dbraw/zinc/71/67/71/1225716771.db2.gz NDPKGQRTSNZYMY-DSJDWBEOSA-N 2 1 367.534 0.894 10 0 FCAEMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000900176661 1217967173 /nfs/dbraw/zinc/96/71/73/1217967173.db2.gz CYKXMJVISBSFRD-IBGZPJMESA-N 2 1 362.474 0.763 10 0 FCAEMP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000900257086 1217974248 /nfs/dbraw/zinc/97/42/48/1217974248.db2.gz WADQMNUYMMQABC-HXUWFJFHSA-N 2 1 361.486 0.982 10 0 FCAEMP 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C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001119776141 1221969349 /nfs/dbraw/zinc/96/93/49/1221969349.db2.gz HQCXXWSPIRVHPD-HZMVEIRTSA-N 2 1 366.506 0.033 10 0 FCAEMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)[C@@H]2C1 ZINC001123650755 1222347342 /nfs/dbraw/zinc/34/73/42/1222347342.db2.gz XZJONERPMJSDII-BBWFWOEESA-N 2 1 365.522 0.618 10 0 FCAEMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[NH+](C(C)C)C2)CC1=O ZINC001141738821 1222764117 /nfs/dbraw/zinc/76/41/17/1222764117.db2.gz BOACVOCDYXUDJM-SJORKVTESA-N 2 1 368.522 0.402 10 0 FCAEMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001141738821 1222764121 /nfs/dbraw/zinc/76/41/21/1222764121.db2.gz BOACVOCDYXUDJM-SJORKVTESA-N 2 1 368.522 0.402 10 0 FCAEMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001141738821 1222764125 /nfs/dbraw/zinc/76/41/25/1222764125.db2.gz BOACVOCDYXUDJM-SJORKVTESA-N 2 1 368.522 0.402 10 0 FCAEMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306528 1245364442 /nfs/dbraw/zinc/36/44/42/1245364442.db2.gz GVQGFATZJOVHLY-RRFJBIMHSA-N 2 1 370.494 0.109 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306529 1245364596 /nfs/dbraw/zinc/36/45/96/1245364596.db2.gz GVQGFATZJOVHLY-ZNMIVQPWSA-N 2 1 370.494 0.109 10 0 FCAEMP C[C@H]1CN(C(=[NH2+])NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000849094623 1245392528 /nfs/dbraw/zinc/39/25/28/1245392528.db2.gz MOCOGNBYHIETQP-HNNXBMFYSA-N 2 1 359.474 0.819 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550094 1245400056 /nfs/dbraw/zinc/40/00/56/1245400056.db2.gz BVISJZROCRDFCS-BPQIPLTHSA-N 2 1 363.506 0.540 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550094 1245400059 /nfs/dbraw/zinc/40/00/59/1245400059.db2.gz BVISJZROCRDFCS-BPQIPLTHSA-N 2 1 363.506 0.540 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001492809604 1263673058 /nfs/dbraw/zinc/67/30/58/1263673058.db2.gz LEYFPLMUZAINHE-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001492850366 1263676988 /nfs/dbraw/zinc/67/69/88/1263676988.db2.gz SYRZPHWHMAQMND-ARFHVFGLSA-N 2 1 361.490 0.973 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CC[N@H+]1C ZINC001493552026 1263727041 /nfs/dbraw/zinc/72/70/41/1263727041.db2.gz WNFLAZBLZXKNDO-DJIMGWMZSA-N 2 1 366.506 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2nnn(C)n2)CC[N@H+]1C ZINC001319748925 1263727937 /nfs/dbraw/zinc/72/79/37/1263727937.db2.gz BBUCLSFCXPZKRT-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2nnn(C)n2)CC[N@@H+]1C ZINC001319748925 1263727942 /nfs/dbraw/zinc/72/79/42/1263727942.db2.gz BBUCLSFCXPZKRT-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2nnn(C)n2)CC[N@H+]1C ZINC001319748925 1263727949 /nfs/dbraw/zinc/72/79/49/1263727949.db2.gz BBUCLSFCXPZKRT-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP COCc1noc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001494021851 1263748661 /nfs/dbraw/zinc/74/86/61/1263748661.db2.gz SFUVACAHSQVZBI-RBSFLKMASA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[N@H+]2CC[C@@H](CCNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001494021851 1263748668 /nfs/dbraw/zinc/74/86/68/1263748668.db2.gz SFUVACAHSQVZBI-RBSFLKMASA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001494021851 1263748675 /nfs/dbraw/zinc/74/86/75/1263748675.db2.gz SFUVACAHSQVZBI-RBSFLKMASA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[NH+]2CC[C@@H](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001494021851 1263748680 /nfs/dbraw/zinc/74/86/80/1263748680.db2.gz SFUVACAHSQVZBI-RBSFLKMASA-N 2 1 365.478 0.884 10 0 FCAEMP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001494773196 1263784973 /nfs/dbraw/zinc/78/49/73/1263784973.db2.gz GVKWDDAZJSRKNF-MKXGPGLRSA-N 2 1 361.486 0.530 10 0 FCAEMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494773196 1263784980 /nfs/dbraw/zinc/78/49/80/1263784980.db2.gz GVKWDDAZJSRKNF-MKXGPGLRSA-N 2 1 361.486 0.530 10 0 FCAEMP COC[C@H](O)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494773196 1263784985 /nfs/dbraw/zinc/78/49/85/1263784985.db2.gz GVKWDDAZJSRKNF-MKXGPGLRSA-N 2 1 361.486 0.530 10 0 FCAEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC(F)(F)F ZINC001494983980 1263793863 /nfs/dbraw/zinc/79/38/63/1263793863.db2.gz ZSKCMYYINGWWTC-FRRDWIJNSA-N 2 1 366.428 0.880 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCCS(C)(=O)=O)C2CC2)CC[N@H+]1C ZINC001495249939 1263807205 /nfs/dbraw/zinc/80/72/05/1263807205.db2.gz RBNRDKZESNDTIP-UNEWFSDZSA-N 2 1 359.536 0.636 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]CCS(C)(=O)=O)cc2)CC[N@H+]1C ZINC001495489971 1263823666 /nfs/dbraw/zinc/82/36/66/1263823666.db2.gz UXNVTWOMHXNOSK-RHSMWYFYSA-N 2 1 367.515 0.777 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001497196347 1263919800 /nfs/dbraw/zinc/91/98/00/1263919800.db2.gz WCIXPTSXJRDHBJ-SOUVJXGZSA-N 2 1 362.478 0.630 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001497585937 1263941483 /nfs/dbraw/zinc/94/14/83/1263941483.db2.gz OLMGTBDUZJIURJ-ZZFUDSBHSA-N 2 1 357.520 0.413 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC[C@@H]3CCC[NH+]3C)C2)CC[N@H+]1C ZINC001498599262 1263979302 /nfs/dbraw/zinc/97/93/02/1263979302.db2.gz UTBJYASDSNXCIS-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001498599262 1263979312 /nfs/dbraw/zinc/97/93/12/1263979312.db2.gz UTBJYASDSNXCIS-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC[NH+]1C ZINC001498599262 1263979322 /nfs/dbraw/zinc/97/93/22/1263979322.db2.gz UTBJYASDSNXCIS-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP CCN(C(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1)C1CC1 ZINC001498757350 1263986702 /nfs/dbraw/zinc/98/67/02/1263986702.db2.gz AGFZOVKRWVHTLJ-XYPHTWIQSA-N 2 1 350.507 0.822 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001499645071 1264040148 /nfs/dbraw/zinc/04/01/48/1264040148.db2.gz WASLLBMWQMTBAH-NRXGSXMXSA-N 2 1 361.490 0.933 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001499645071 1264040155 /nfs/dbraw/zinc/04/01/55/1264040155.db2.gz WASLLBMWQMTBAH-NRXGSXMXSA-N 2 1 361.490 0.933 10 0 FCAEMP Cc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC001501257918 1264114739 /nfs/dbraw/zinc/11/47/39/1264114739.db2.gz JUHQZMIWXLCJJO-CRAIPNDOSA-N 2 1 363.506 0.993 10 0 FCAEMP 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COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001322414139 1264191798 /nfs/dbraw/zinc/19/17/98/1264191798.db2.gz BCGGOUZJRHZEAV-RDJZCZTQSA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@H](CCC[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506921007 1264345284 /nfs/dbraw/zinc/34/52/84/1264345284.db2.gz DCSYHXWLAKNLIO-JHJVBQTASA-N 2 1 368.507 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CC[N@H+]1C ZINC001507198376 1264355569 /nfs/dbraw/zinc/35/55/69/1264355569.db2.gz UUDJQXZLQDHSHD-YESZJQIVSA-N 2 1 362.474 0.083 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(C)n(C)n2)CC[N@H+]1C ZINC001507479089 1264364288 /nfs/dbraw/zinc/36/42/88/1264364288.db2.gz QDXMSOSBCDHUTD-IXDOHACOSA-N 2 1 351.495 0.368 10 0 FCAEMP C[C@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nncn1C ZINC001508175296 1264398652 /nfs/dbraw/zinc/39/86/52/1264398652.db2.gz ZWLYAWTXRFKWPR-RRFJBIMHSA-N 2 1 352.483 0.281 10 0 FCAEMP C[C@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nncn1C ZINC001508175296 1264398658 /nfs/dbraw/zinc/39/86/58/1264398658.db2.gz ZWLYAWTXRFKWPR-RRFJBIMHSA-N 2 1 352.483 0.281 10 0 FCAEMP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001513579432 1265225901 /nfs/dbraw/zinc/22/59/01/1265225901.db2.gz CHLUDCKRNQGGAH-CVEARBPZSA-N 2 1 370.538 0.384 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001514318198 1265339412 /nfs/dbraw/zinc/33/94/12/1265339412.db2.gz LGFVJBIGUPEQPN-OAGGEKHMSA-N 2 1 366.506 0.202 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001514318198 1265339421 /nfs/dbraw/zinc/33/94/21/1265339421.db2.gz LGFVJBIGUPEQPN-OAGGEKHMSA-N 2 1 366.506 0.202 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCNC(=O)C3CC3)CCOCC2)CC[N@H+]1C ZINC001327634355 1265381083 /nfs/dbraw/zinc/38/10/83/1265381083.db2.gz FQFUIKQIKRXCSC-GDBMZVCRSA-N 2 1 366.506 0.108 10 0 FCAEMP 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CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001343371683 1269883036 /nfs/dbraw/zinc/88/30/36/1269883036.db2.gz PRFMSVAVQFYSDO-ZACQAIPSSA-N 2 1 368.522 0.281 10 0 FCAEMP COCCCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570531163 1269900511 /nfs/dbraw/zinc/90/05/11/1269900511.db2.gz ZKVVDARLUZPZMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCCCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570531163 1269900516 /nfs/dbraw/zinc/90/05/16/1269900516.db2.gz ZKVVDARLUZPZMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCCCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570531163 1269900519 /nfs/dbraw/zinc/90/05/19/1269900519.db2.gz ZKVVDARLUZPZMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCCCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570531163 1269900521 /nfs/dbraw/zinc/90/05/21/1269900521.db2.gz ZKVVDARLUZPZMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C2CCCCC2)CC[N@H+]1C ZINC001571429592 1269933041 /nfs/dbraw/zinc/93/30/41/1269933041.db2.gz GYJUOGVFRVCQBF-HLLBOEOZSA-N 2 1 368.522 0.184 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001571601203 1269942937 /nfs/dbraw/zinc/94/29/37/1269942937.db2.gz GSGMFMVXILZDLW-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001571601203 1269942943 /nfs/dbraw/zinc/94/29/43/1269942943.db2.gz GSGMFMVXILZDLW-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571601203 1269942948 /nfs/dbraw/zinc/94/29/48/1269942948.db2.gz GSGMFMVXILZDLW-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571601203 1269942952 /nfs/dbraw/zinc/94/29/52/1269942952.db2.gz GSGMFMVXILZDLW-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001571601202 1269944013 /nfs/dbraw/zinc/94/40/13/1269944013.db2.gz GSGMFMVXILZDLW-BZUAXINKSA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001571601202 1269944018 /nfs/dbraw/zinc/94/40/18/1269944018.db2.gz GSGMFMVXILZDLW-BZUAXINKSA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571601202 1269944020 /nfs/dbraw/zinc/94/40/20/1269944020.db2.gz GSGMFMVXILZDLW-BZUAXINKSA-N 2 1 370.538 0.383 10 0 FCAEMP CCC(C)(C)NC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571601202 1269944025 /nfs/dbraw/zinc/94/40/25/1269944025.db2.gz GSGMFMVXILZDLW-BZUAXINKSA-N 2 1 370.538 0.383 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343606384 1269961054 /nfs/dbraw/zinc/96/10/54/1269961054.db2.gz WHXRICBYZZNHQE-NXOAAHMSSA-N 2 1 368.522 0.137 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343606384 1269961064 /nfs/dbraw/zinc/96/10/64/1269961064.db2.gz WHXRICBYZZNHQE-NXOAAHMSSA-N 2 1 368.522 0.137 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343606384 1269961067 /nfs/dbraw/zinc/96/10/67/1269961067.db2.gz WHXRICBYZZNHQE-NXOAAHMSSA-N 2 1 368.522 0.137 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+](C)C(C)C)C1 ZINC001344114929 1270099786 /nfs/dbraw/zinc/09/97/86/1270099786.db2.gz WIWKXHYEHUVATP-BRWVUGGUSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+](C)C(C)C)C1 ZINC001344114929 1270099796 /nfs/dbraw/zinc/09/97/96/1270099796.db2.gz WIWKXHYEHUVATP-BRWVUGGUSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)C1 ZINC001344114929 1270099807 /nfs/dbraw/zinc/09/98/07/1270099807.db2.gz WIWKXHYEHUVATP-BRWVUGGUSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001344114929 1270099819 /nfs/dbraw/zinc/09/98/19/1270099819.db2.gz WIWKXHYEHUVATP-BRWVUGGUSA-N 2 1 368.522 0.591 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001572777862 1270130006 /nfs/dbraw/zinc/13/00/06/1270130006.db2.gz QCEIZWGBUWWCQG-GVDBMIGSSA-N 2 1 350.507 0.870 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001344381476 1270165122 /nfs/dbraw/zinc/16/51/22/1270165122.db2.gz YFCWVUHJBGKHIB-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001572950924 1270392255 /nfs/dbraw/zinc/39/22/55/1270392255.db2.gz HWGMLKXMIZCVTC-HUUCEWRRSA-N 2 1 365.478 0.264 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001572950924 1270392262 /nfs/dbraw/zinc/39/22/62/1270392262.db2.gz HWGMLKXMIZCVTC-HUUCEWRRSA-N 2 1 365.478 0.264 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)CC[N@H+]1C ZINC001572954230 1270399219 /nfs/dbraw/zinc/39/92/19/1270399219.db2.gz FVQMQNJFCAZVRC-YLFCFFPRSA-N 2 1 368.522 0.399 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)CC[NH+]1C ZINC001572954230 1270399224 /nfs/dbraw/zinc/39/92/24/1270399224.db2.gz FVQMQNJFCAZVRC-YLFCFFPRSA-N 2 1 368.522 0.399 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)CC[NH+]1C ZINC001572954230 1270399231 /nfs/dbraw/zinc/39/92/31/1270399231.db2.gz FVQMQNJFCAZVRC-YLFCFFPRSA-N 2 1 368.522 0.399 10 0 FCAEMP CO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001572954770 1270401445 /nfs/dbraw/zinc/40/14/45/1270401445.db2.gz ZHNHWGFSYPNNRF-IAGOWNOFSA-N 2 1 368.522 0.545 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001572968403 1270425527 /nfs/dbraw/zinc/42/55/27/1270425527.db2.gz ZKKANOPOGDQDDQ-IXDOHACOSA-N 2 1 368.522 0.543 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001573176381 1270634709 /nfs/dbraw/zinc/63/47/09/1270634709.db2.gz BZFPIPIEDYJVEL-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001573176381 1270634714 /nfs/dbraw/zinc/63/47/14/1270634714.db2.gz BZFPIPIEDYJVEL-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001573211652 1270674321 /nfs/dbraw/zinc/67/43/21/1270674321.db2.gz SZDLLKTZMJCSGL-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001573211652 1270674325 /nfs/dbraw/zinc/67/43/25/1270674325.db2.gz SZDLLKTZMJCSGL-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001573211652 1270674329 /nfs/dbraw/zinc/67/43/29/1270674329.db2.gz SZDLLKTZMJCSGL-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001573765894 1270873073 /nfs/dbraw/zinc/87/30/73/1270873073.db2.gz AWRMGKJQNCJTOD-APWZRJJASA-N 2 1 352.523 0.977 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)Nc2cnccn2)C2CC2)CC[N@H+]1C ZINC001713110824 1287266485 /nfs/dbraw/zinc/26/64/85/1287266485.db2.gz JEBSJTUKHVVNGG-YUELXQCFSA-N 2 1 360.462 0.240 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCOCCO)C2)CC[N@H+]1C ZINC001713130385 1287266906 /nfs/dbraw/zinc/26/69/06/1287266906.db2.gz IADKWNHOZONYNS-FGTMMUONSA-N 2 1 355.523 0.896 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CCOCCO)C2)CC[NH+]1C ZINC001713130385 1287266907 /nfs/dbraw/zinc/26/69/07/1287266907.db2.gz IADKWNHOZONYNS-FGTMMUONSA-N 2 1 355.523 0.896 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCOCCO)C2)CC[NH+]1C ZINC001713130385 1287266909 /nfs/dbraw/zinc/26/69/09/1287266909.db2.gz IADKWNHOZONYNS-FGTMMUONSA-N 2 1 355.523 0.896 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCn2cnc3ccccc3c2=O)CC[N@H+]1C ZINC001713593175 1287287028 /nfs/dbraw/zinc/28/70/28/1287287028.db2.gz ZPRFVTQSAPFHNF-HZPDHXFCSA-N 2 1 371.485 0.785 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001713593486 1287287973 /nfs/dbraw/zinc/28/79/73/1287287973.db2.gz MWTFWWKNJXNOOC-GVDBMIGSSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001713752425 1287295872 /nfs/dbraw/zinc/29/58/72/1287295872.db2.gz OVLGVUWTVDOIAL-OWCLPIDISA-N 2 1 364.490 0.256 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001713752425 1287295877 /nfs/dbraw/zinc/29/58/77/1287295877.db2.gz OVLGVUWTVDOIAL-OWCLPIDISA-N 2 1 364.490 0.256 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001713752425 1287295879 /nfs/dbraw/zinc/29/58/79/1287295879.db2.gz OVLGVUWTVDOIAL-OWCLPIDISA-N 2 1 364.490 0.256 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC[NH+](CCCS(C)(=O)=O)CC3)CC[N@H+]1C ZINC001713844788 1287303980 /nfs/dbraw/zinc/30/39/80/1287303980.db2.gz MKQTZCHNIVBSOY-OAGGEKHMSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CCCCC2)CC[N@H+]1C ZINC001714981643 1287341308 /nfs/dbraw/zinc/34/13/08/1287341308.db2.gz YSTMLWSFBILZFK-YUELXQCFSA-N 2 1 367.494 0.176 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCn2nc(C)nc2C)CC[N@H+]1C ZINC001715226845 1287346920 /nfs/dbraw/zinc/34/69/20/1287346920.db2.gz DWSOCNASOOEBEQ-XOKHGSTOSA-N 2 1 350.511 0.967 10 0 FCAEMP C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715330471 1287350282 /nfs/dbraw/zinc/35/02/82/1287350282.db2.gz LYZNIAPQGMKLFQ-YNEHKIRRSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001715815202 1287361247 /nfs/dbraw/zinc/36/12/47/1287361247.db2.gz DHJQPFMWSMGJHM-CDJBXZAQSA-N 2 1 351.476 0.684 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001715817013 1287361738 /nfs/dbraw/zinc/36/17/38/1287361738.db2.gz KBVTZPOJHPAVGD-BWCQMHGCSA-N 2 1 350.507 0.895 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001716218001 1287374317 /nfs/dbraw/zinc/37/43/17/1287374317.db2.gz PEYPTJABFNALSO-LSDHHAIUSA-N 2 1 362.478 0.584 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2ncnn2CC(F)F)CC[N@H+]1C ZINC001716542234 1287383275 /nfs/dbraw/zinc/38/32/75/1287383275.db2.gz XTDAZSPCZSCHPS-CHWSQXEVSA-N 2 1 358.437 0.822 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)N3CCCC3)CCOCC2)CC[N@H+]1C ZINC001716905091 1287393097 /nfs/dbraw/zinc/39/30/97/1287393097.db2.gz ZYJXVEUAPOQYIA-HZPDHXFCSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001717032274 1287405424 /nfs/dbraw/zinc/40/54/24/1287405424.db2.gz NJQWHJPNWSMYSI-WCXIOVBPSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001717032274 1287405428 /nfs/dbraw/zinc/40/54/28/1287405428.db2.gz NJQWHJPNWSMYSI-WCXIOVBPSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001717032274 1287405432 /nfs/dbraw/zinc/40/54/32/1287405432.db2.gz NJQWHJPNWSMYSI-WCXIOVBPSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001717032274 1287405435 /nfs/dbraw/zinc/40/54/35/1287405435.db2.gz NJQWHJPNWSMYSI-WCXIOVBPSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC(=O)N3CCCC3)CCOCC2)CC[N@H+]1C ZINC001717262349 1287415748 /nfs/dbraw/zinc/41/57/48/1287415748.db2.gz GLKUVYJYNQVBCL-HZPDHXFCSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](Cc3cncs3)CC2)CC[N@@H+]1C ZINC001717350520 1287419532 /nfs/dbraw/zinc/41/95/32/1287419532.db2.gz GWIDDKLQWOCYBU-UKRRQHHQSA-N 2 1 352.504 0.926 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](Cc3cncs3)CC2)CC[N@H+]1C ZINC001717350520 1287419538 /nfs/dbraw/zinc/41/95/38/1287419538.db2.gz GWIDDKLQWOCYBU-UKRRQHHQSA-N 2 1 352.504 0.926 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCNC(=O)C2CC2)CC[N@H+]1C ZINC001717364820 1287420306 /nfs/dbraw/zinc/42/03/06/1287420306.db2.gz CZKPSVPUNZEJHX-DJIMGWMZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CCNC(=O)C2CC2)CC[NH+]1C ZINC001717364820 1287420313 /nfs/dbraw/zinc/42/03/13/1287420313.db2.gz CZKPSVPUNZEJHX-DJIMGWMZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CCNC(=O)C2CC2)CC[NH+]1C ZINC001717364820 1287420319 /nfs/dbraw/zinc/42/03/19/1287420319.db2.gz CZKPSVPUNZEJHX-DJIMGWMZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CCCS(=O)(=O)N(C)C ZINC001717473569 1287423765 /nfs/dbraw/zinc/42/37/65/1287423765.db2.gz TYCJUYPOLXVXLQ-RBSFLKMASA-N 2 1 362.540 0.045 10 0 FCAEMP 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C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001725509043 1288469891 /nfs/dbraw/zinc/46/98/91/1288469891.db2.gz ZZQXGZRHHPVXTQ-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccncc2Cl)CC[N@H+]1C ZINC001725696478 1288472364 /nfs/dbraw/zinc/47/23/64/1288472364.db2.gz VDRXREMYTGWGKI-BPLDGKMQSA-N 2 1 354.882 0.984 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)Nc2ccccc2)CC[N@H+]1C ZINC001725695883 1288472563 /nfs/dbraw/zinc/47/25/63/1288472563.db2.gz QOXYXYZTACWRHM-HYVNUMGLSA-N 2 1 362.474 0.374 10 0 FCAEMP CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001725695202 1288472864 /nfs/dbraw/zinc/47/28/64/1288472864.db2.gz MDYKLDDXIKDNSP-HZSPNIEDSA-N 2 1 352.483 0.177 10 0 FCAEMP CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001725695202 1288472867 /nfs/dbraw/zinc/47/28/67/1288472867.db2.gz MDYKLDDXIKDNSP-HZSPNIEDSA-N 2 1 352.483 0.177 10 0 FCAEMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001731309746 1288552007 /nfs/dbraw/zinc/55/20/07/1288552007.db2.gz SWXIHLDGXILPBB-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001731309746 1288552011 /nfs/dbraw/zinc/55/20/11/1288552011.db2.gz SWXIHLDGXILPBB-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCO[C@H](C)C1 ZINC001731309746 1288552015 /nfs/dbraw/zinc/55/20/15/1288552015.db2.gz SWXIHLDGXILPBB-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731443639 1288556129 /nfs/dbraw/zinc/55/61/29/1288556129.db2.gz AELCWWHMFQBNEJ-OXGONZEZSA-N 2 1 354.495 0.105 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731504748 1288558563 /nfs/dbraw/zinc/55/85/63/1288558563.db2.gz RGOPPLMCIASWAW-BPQIPLTHSA-N 2 1 368.522 0.308 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731504748 1288558568 /nfs/dbraw/zinc/55/85/68/1288558568.db2.gz RGOPPLMCIASWAW-BPQIPLTHSA-N 2 1 368.522 0.308 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731504748 1288558570 /nfs/dbraw/zinc/55/85/70/1288558570.db2.gz RGOPPLMCIASWAW-BPQIPLTHSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[N@H+]1C ZINC001731563441 1288559752 /nfs/dbraw/zinc/55/97/52/1288559752.db2.gz GQOAAOAMEGOHRE-SUMCQTLJSA-N 2 1 351.491 0.569 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[NH+]1C ZINC001731563441 1288559757 /nfs/dbraw/zinc/55/97/57/1288559757.db2.gz GQOAAOAMEGOHRE-SUMCQTLJSA-N 2 1 351.491 0.569 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[NH+]1C ZINC001731563441 1288559762 /nfs/dbraw/zinc/55/97/62/1288559762.db2.gz GQOAAOAMEGOHRE-SUMCQTLJSA-N 2 1 351.491 0.569 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CCCCC2)CC[N@@H+]1C ZINC001732472430 1288584797 /nfs/dbraw/zinc/58/47/97/1288584797.db2.gz GYTSFSRUNUTFAZ-FVQBIDKESA-N 2 1 363.510 0.705 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CCCCC2)CC[N@H+]1C ZINC001732472430 1288584799 /nfs/dbraw/zinc/58/47/99/1288584799.db2.gz GYTSFSRUNUTFAZ-FVQBIDKESA-N 2 1 363.510 0.705 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001732693782 1288592442 /nfs/dbraw/zinc/59/24/42/1288592442.db2.gz ADSWJYWNEIVZTH-SOUVJXGZSA-N 2 1 364.494 0.523 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001732847654 1288595675 /nfs/dbraw/zinc/59/56/75/1288595675.db2.gz GVAKBSBAHNOPHU-RAQZUPNJSA-N 2 1 357.520 0.413 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001733012190 1288598994 /nfs/dbraw/zinc/59/89/94/1288598994.db2.gz FASYUICXCWATNL-IMJJTQAJSA-N 2 1 357.462 0.150 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001733012190 1288598996 /nfs/dbraw/zinc/59/89/96/1288598996.db2.gz FASYUICXCWATNL-IMJJTQAJSA-N 2 1 357.462 0.150 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCOCC3CCC3)C2)CC[N@H+]1C ZINC001733738180 1288626205 /nfs/dbraw/zinc/62/62/05/1288626205.db2.gz PLGNSFQFUBMJSW-BPQIPLTHSA-N 2 1 353.507 0.960 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001733930235 1288636868 /nfs/dbraw/zinc/63/68/68/1288636868.db2.gz MSSNIIRGUGSQAO-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001733930235 1288636870 /nfs/dbraw/zinc/63/68/70/1288636870.db2.gz MSSNIIRGUGSQAO-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)NC(=O)NC)CC[NH+]1C ZINC001733930235 1288636872 /nfs/dbraw/zinc/63/68/72/1288636872.db2.gz MSSNIIRGUGSQAO-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)NC(=O)NC)CC[NH+]1C ZINC001733930235 1288636873 /nfs/dbraw/zinc/63/68/73/1288636873.db2.gz MSSNIIRGUGSQAO-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001735745602 1288835403 /nfs/dbraw/zinc/83/54/03/1288835403.db2.gz OZXQSYJTUPXMNI-IXDOHACOSA-N 2 1 368.522 0.279 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001735745602 1288835416 /nfs/dbraw/zinc/83/54/16/1288835416.db2.gz OZXQSYJTUPXMNI-IXDOHACOSA-N 2 1 368.522 0.279 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001735745602 1288835425 /nfs/dbraw/zinc/83/54/25/1288835425.db2.gz OZXQSYJTUPXMNI-IXDOHACOSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001736205338 1289199748 /nfs/dbraw/zinc/19/97/48/1289199748.db2.gz RTPAFLVNYWJEFY-JKSUJKDBSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001736357122 1289277598 /nfs/dbraw/zinc/27/75/98/1289277598.db2.gz UPERBEZIIMQKNU-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001736357122 1289277604 /nfs/dbraw/zinc/27/76/04/1289277604.db2.gz UPERBEZIIMQKNU-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001736357122 1289277606 /nfs/dbraw/zinc/27/76/06/1289277606.db2.gz UPERBEZIIMQKNU-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001736357122 1289277611 /nfs/dbraw/zinc/27/76/11/1289277611.db2.gz UPERBEZIIMQKNU-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001736503354 1289401184 /nfs/dbraw/zinc/40/11/84/1289401184.db2.gz RPMRZBUSSXMKOZ-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001738520903 1289694534 /nfs/dbraw/zinc/69/45/34/1289694534.db2.gz LFGXOEZNBYHPHI-SKACODALSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001738520903 1289694542 /nfs/dbraw/zinc/69/45/42/1289694542.db2.gz LFGXOEZNBYHPHI-SKACODALSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738520903 1289694551 /nfs/dbraw/zinc/69/45/51/1289694551.db2.gz LFGXOEZNBYHPHI-SKACODALSA-N 2 1 350.507 0.990 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCNC(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001738670306 1289714665 /nfs/dbraw/zinc/71/46/65/1289714665.db2.gz YVPZKCMTRZFLLQ-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)C1 ZINC001702179000 1289791055 /nfs/dbraw/zinc/79/10/55/1289791055.db2.gz AHKYLDVEMVCRNB-GVDBMIGSSA-N 2 1 368.522 0.138 10 0 FCAEMP CCOCC[NH+]1CCN(c2nnc(CC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001617230450 1289825279 /nfs/dbraw/zinc/82/52/79/1289825279.db2.gz YXZBUBQOCRLJNT-GOSISDBHSA-N 2 1 366.510 0.066 10 0 FCAEMP CCOCC[NH+]1CCN(c2nnc(CC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001617230450 1289825287 /nfs/dbraw/zinc/82/52/87/1289825287.db2.gz YXZBUBQOCRLJNT-GOSISDBHSA-N 2 1 366.510 0.066 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001739591856 1290209434 /nfs/dbraw/zinc/20/94/34/1290209434.db2.gz XJRBDTLSRVZJBK-GVDBMIGSSA-N 2 1 368.522 0.258 10 0 FCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001626361325 1290393138 /nfs/dbraw/zinc/39/31/38/1290393138.db2.gz MXUNQNSCEOWFNT-ZDUSSCGKSA-N 2 1 372.560 0.864 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001626361325 1290393149 /nfs/dbraw/zinc/39/31/49/1290393149.db2.gz MXUNQNSCEOWFNT-ZDUSSCGKSA-N 2 1 372.560 0.864 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001739886911 1290422948 /nfs/dbraw/zinc/42/29/48/1290422948.db2.gz HVEAYABIWOYXHW-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001739886911 1290422950 /nfs/dbraw/zinc/42/29/50/1290422950.db2.gz HVEAYABIWOYXHW-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001739886911 1290422956 /nfs/dbraw/zinc/42/29/56/1290422956.db2.gz HVEAYABIWOYXHW-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001739886909 1290423629 /nfs/dbraw/zinc/42/36/29/1290423629.db2.gz HVEAYABIWOYXHW-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001739886909 1290423633 /nfs/dbraw/zinc/42/36/33/1290423633.db2.gz HVEAYABIWOYXHW-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001739886909 1290423639 /nfs/dbraw/zinc/42/36/39/1290423639.db2.gz HVEAYABIWOYXHW-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP COC(=O)c1cccn(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1=O ZINC001645256860 1291013927 /nfs/dbraw/zinc/01/39/27/1291013927.db2.gz QKHUYEXFJPMSFQ-AWEZNQCLSA-N 2 1 366.462 0.023 10 0 FCAEMP COC(=O)c1cccn(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1=O ZINC001645256860 1291013934 /nfs/dbraw/zinc/01/39/34/1291013934.db2.gz QKHUYEXFJPMSFQ-AWEZNQCLSA-N 2 1 366.462 0.023 10 0 FCAEMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC001653531908 1291351835 /nfs/dbraw/zinc/35/18/35/1291351835.db2.gz AGBVAVVDIBKWBD-DLBZAZTESA-N 2 1 369.506 0.973 10 0 FCAEMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001656369715 1291516731 /nfs/dbraw/zinc/51/67/31/1291516731.db2.gz OHAAPRIVHMCJMN-SOUVJXGZSA-N 2 1 365.478 0.932 10 0 FCAEMP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001656369715 1291516736 /nfs/dbraw/zinc/51/67/36/1291516736.db2.gz OHAAPRIVHMCJMN-SOUVJXGZSA-N 2 1 365.478 0.932 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001656949168 1291577187 /nfs/dbraw/zinc/57/71/87/1291577187.db2.gz OAANMQCLYGHDTO-NJAFHUGGSA-N 2 1 368.522 0.591 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001656949168 1291577190 /nfs/dbraw/zinc/57/71/90/1291577190.db2.gz OAANMQCLYGHDTO-NJAFHUGGSA-N 2 1 368.522 0.591 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001656949168 1291577195 /nfs/dbraw/zinc/57/71/95/1291577195.db2.gz OAANMQCLYGHDTO-NJAFHUGGSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001661602189 1291701645 /nfs/dbraw/zinc/70/16/45/1291701645.db2.gz UXEKCFPCOJFDNS-LJISPDSOSA-N 2 1 360.462 0.382 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001662918557 1291739253 /nfs/dbraw/zinc/73/92/53/1291739253.db2.gz DXRIGZRZVRXMJM-FRRDWIJNSA-N 2 1 366.428 0.880 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@H+]1C ZINC001663067327 1291744085 /nfs/dbraw/zinc/74/40/85/1291744085.db2.gz SJSHAYNZODCESR-BRWVUGGUSA-N 2 1 365.522 0.713 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001663067327 1291744088 /nfs/dbraw/zinc/74/40/88/1291744088.db2.gz SJSHAYNZODCESR-BRWVUGGUSA-N 2 1 365.522 0.713 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)CC[NH+]1C ZINC001663067327 1291744092 /nfs/dbraw/zinc/74/40/92/1291744092.db2.gz SJSHAYNZODCESR-BRWVUGGUSA-N 2 1 365.522 0.713 10 0 FCAEMP C[C@@H](CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668066802 1291954639 /nfs/dbraw/zinc/95/46/39/1291954639.db2.gz YVKYQJZETWDIFO-BFHYXJOUSA-N 2 1 367.494 0.141 10 0 FCAEMP Cc1nocc1C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001673670426 1292118867 /nfs/dbraw/zinc/11/88/67/1292118867.db2.gz ATSPOCYGFCDGCB-QGPMSJSTSA-N 2 1 350.463 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001677357167 1292232900 /nfs/dbraw/zinc/23/29/00/1292232900.db2.gz DVCRSVFHHUHQKQ-AEGPPILISA-N 2 1 367.494 0.128 10 0 FCAEMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001684804460 1292338318 /nfs/dbraw/zinc/33/83/18/1292338318.db2.gz AGDMBGYJOITJQX-QZTJIDSGSA-N 3 1 370.586 0.536 10 0 FCAEMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CN(C)CCN1C ZINC001684804460 1292338320 /nfs/dbraw/zinc/33/83/20/1292338320.db2.gz AGDMBGYJOITJQX-QZTJIDSGSA-N 2 1 370.586 0.536 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001685278421 1292479882 /nfs/dbraw/zinc/47/98/82/1292479882.db2.gz HLZHTKOXMQMALK-OLMNPRSZSA-N 2 1 362.518 0.918 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)CC1 ZINC001685536114 1292550119 /nfs/dbraw/zinc/55/01/19/1292550119.db2.gz OBVCSSYXXTYRCA-JTDSTZFVSA-N 2 1 362.518 0.587 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1 ZINC001686083809 1292760802 /nfs/dbraw/zinc/76/08/02/1292760802.db2.gz NYOCWADMHAHQEC-YVSFHVDLSA-N 2 1 362.518 0.918 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001686099791 1292767320 /nfs/dbraw/zinc/76/73/20/1292767320.db2.gz NAQNMMBIBSOHIF-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001686099791 1292767326 /nfs/dbraw/zinc/76/73/26/1292767326.db2.gz NAQNMMBIBSOHIF-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001686099791 1292767332 /nfs/dbraw/zinc/76/73/32/1292767332.db2.gz NAQNMMBIBSOHIF-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC001687030265 1292974605 /nfs/dbraw/zinc/97/46/05/1292974605.db2.gz LIEXJWBBLBVKHB-YESZJQIVSA-N 2 1 350.507 0.681 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001123581722 848608468 /nfs/dbraw/zinc/60/84/68/848608468.db2.gz WZLAYZDRHKCBGZ-UHFFFAOYSA-N 2 1 353.511 0.713 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001123601371 848611353 /nfs/dbraw/zinc/61/13/53/848611353.db2.gz WALFKJCXDUFGKD-LISAXSMJSA-N 2 1 354.495 0.384 10 0 FCAEMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001123601372 848611390 /nfs/dbraw/zinc/61/13/90/848611390.db2.gz WALFKJCXDUFGKD-NBOOPKSLSA-N 2 1 354.495 0.384 10 0 FCAEMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001123650765 848619785 /nfs/dbraw/zinc/61/97/85/848619785.db2.gz DIHUYXQQHATSNW-SOLBZPMBSA-N 2 1 356.511 0.632 10 0 FCAEMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123650765 848619792 /nfs/dbraw/zinc/61/97/92/848619792.db2.gz DIHUYXQQHATSNW-SOLBZPMBSA-N 2 1 356.511 0.632 10 0 FCAEMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001123650765 848619795 /nfs/dbraw/zinc/61/97/95/848619795.db2.gz DIHUYXQQHATSNW-SOLBZPMBSA-N 2 1 356.511 0.632 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCOCCO)CC3)CC[N@H+]1C ZINC001278453813 862332274 /nfs/dbraw/zinc/33/22/74/862332274.db2.gz YRYDLNBKHHDISX-DODZYUBVSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCOCCO)CC3)CC[NH+]1C ZINC001278453813 862332293 /nfs/dbraw/zinc/33/22/93/862332293.db2.gz YRYDLNBKHHDISX-DODZYUBVSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)CC[NH+]1C ZINC001278453813 862332310 /nfs/dbraw/zinc/33/23/10/862332310.db2.gz YRYDLNBKHHDISX-DODZYUBVSA-N 2 1 353.507 0.839 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001261377734 858533114 /nfs/dbraw/zinc/53/31/14/858533114.db2.gz DCOVHMNCJXVYLI-CVEARBPZSA-N 2 1 350.438 0.755 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001261377734 858533119 /nfs/dbraw/zinc/53/31/19/858533119.db2.gz DCOVHMNCJXVYLI-CVEARBPZSA-N 2 1 350.438 0.755 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H]1C[NH+](C)C ZINC001263782258 859211949 /nfs/dbraw/zinc/21/19/49/859211949.db2.gz BSFFWRCCWDHZKG-YYWYGQEZSA-N 3 1 351.539 0.707 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001263973707 859263402 /nfs/dbraw/zinc/26/34/02/859263402.db2.gz DCSOKKSDRFCANO-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC001264731022 859444630 /nfs/dbraw/zinc/44/46/30/859444630.db2.gz ADSKWRDVHUQORK-NUJGCVRESA-N 2 1 353.507 0.960 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001265285755 859457525 /nfs/dbraw/zinc/45/75/25/859457525.db2.gz GWWJLZZXOIVSDC-YESZJQIVSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCOCCNC(C)=O)C2)CC[NH+]1C ZINC001265285755 859457531 /nfs/dbraw/zinc/45/75/31/859457531.db2.gz GWWJLZZXOIVSDC-YESZJQIVSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCCNC(C)=O)C2)CC[NH+]1C ZINC001265285755 859457538 /nfs/dbraw/zinc/45/75/38/859457538.db2.gz GWWJLZZXOIVSDC-YESZJQIVSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001265735600 859464230 /nfs/dbraw/zinc/46/42/30/859464230.db2.gz XHMSWPRTQUOUON-LHUBUQBQSA-N 2 1 350.507 0.870 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2ncnn2CCF)C2CC2)CC[N@@H+]1C ZINC001266409868 859480274 /nfs/dbraw/zinc/48/02/74/859480274.db2.gz SKGKVGJZCOTILY-BPLDGKMQSA-N 2 1 352.458 0.572 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2ncnn2CCF)C2CC2)CC[N@H+]1C ZINC001266409868 859480277 /nfs/dbraw/zinc/48/02/77/859480277.db2.gz SKGKVGJZCOTILY-BPLDGKMQSA-N 2 1 352.458 0.572 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001266706107 859488350 /nfs/dbraw/zinc/48/83/50/859488350.db2.gz CVOOTGIZXROFFN-LSDHHAIUSA-N 2 1 355.527 0.862 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001267653768 859513604 /nfs/dbraw/zinc/51/36/04/859513604.db2.gz YPGSDNYGVBUUMV-YESZJQIVSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001267653768 859513610 /nfs/dbraw/zinc/51/36/10/859513610.db2.gz YPGSDNYGVBUUMV-YESZJQIVSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001267653768 859513617 /nfs/dbraw/zinc/51/36/17/859513617.db2.gz YPGSDNYGVBUUMV-YESZJQIVSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)CC2CC2)C2CC2)CC[N@H+]1C ZINC001269071840 859543747 /nfs/dbraw/zinc/54/37/47/859543747.db2.gz RVYRLWNQFJMLMR-KBRIMQKVSA-N 2 1 350.507 0.679 10 0 FCAEMP 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Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@](C)(O)CC[NH+](C)C)cn1 ZINC001330142230 872488747 /nfs/dbraw/zinc/48/87/47/872488747.db2.gz SDCRZLMWNULLCD-JZXOWHBKSA-N 2 1 351.495 0.274 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)[NH+]1CCN(C)CC1 ZINC001348434589 872698073 /nfs/dbraw/zinc/69/80/73/872698073.db2.gz PRNKAQDQFZKLAS-TVFCKZIOSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)N1CC[NH+](C)CC1 ZINC001348434589 872698079 /nfs/dbraw/zinc/69/80/79/872698079.db2.gz PRNKAQDQFZKLAS-TVFCKZIOSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)N1CC[NH+](C)CC1 ZINC001348434589 872698083 /nfs/dbraw/zinc/69/80/83/872698083.db2.gz PRNKAQDQFZKLAS-TVFCKZIOSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001348747093 872782717 /nfs/dbraw/zinc/78/27/17/872782717.db2.gz KOTUGPGYHQMBPT-BMGDILEWSA-N 2 1 357.470 0.541 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001348747093 872782723 /nfs/dbraw/zinc/78/27/23/872782723.db2.gz KOTUGPGYHQMBPT-BMGDILEWSA-N 2 1 357.470 0.541 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001348747093 872782730 /nfs/dbraw/zinc/78/27/30/872782730.db2.gz KOTUGPGYHQMBPT-BMGDILEWSA-N 2 1 357.470 0.541 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001348747093 872782736 /nfs/dbraw/zinc/78/27/36/872782736.db2.gz KOTUGPGYHQMBPT-BMGDILEWSA-N 2 1 357.470 0.541 10 0 FCAEMP COCCNC(=O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001332013816 873334547 /nfs/dbraw/zinc/33/45/47/873334547.db2.gz QMPLRODFKPDDLD-HNNXBMFYSA-N 2 1 350.467 0.177 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(OC)ns2)CC[N@H+]1C ZINC001332519127 873541694 /nfs/dbraw/zinc/54/16/94/873541694.db2.gz YYPPDFNGDMZMJF-VHDGCEQUSA-N 2 1 370.519 0.791 10 0 FCAEMP COc1cc(CN(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001332631305 873589075 /nfs/dbraw/zinc/58/90/75/873589075.db2.gz GLCWHHZBNGPVBA-VNHYZAJKSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)sn1 ZINC001332631305 873589094 /nfs/dbraw/zinc/58/90/94/873589094.db2.gz GLCWHHZBNGPVBA-VNHYZAJKSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)sn1 ZINC001332631305 873589103 /nfs/dbraw/zinc/58/91/03/873589103.db2.gz GLCWHHZBNGPVBA-VNHYZAJKSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001332631305 873589112 /nfs/dbraw/zinc/58/91/12/873589112.db2.gz GLCWHHZBNGPVBA-VNHYZAJKSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001332631305 873589124 /nfs/dbraw/zinc/58/91/24/873589124.db2.gz GLCWHHZBNGPVBA-VNHYZAJKSA-N 2 1 370.519 0.743 10 0 FCAEMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000930490178 674031780 /nfs/dbraw/zinc/03/17/80/674031780.db2.gz BVCPKJSYLVQLDR-DMRZNYOFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000930490178 674031782 /nfs/dbraw/zinc/03/17/82/674031782.db2.gz BVCPKJSYLVQLDR-DMRZNYOFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930490178 674031785 /nfs/dbraw/zinc/03/17/85/674031785.db2.gz BVCPKJSYLVQLDR-DMRZNYOFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930490178 674031787 /nfs/dbraw/zinc/03/17/87/674031787.db2.gz BVCPKJSYLVQLDR-DMRZNYOFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H](CNC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000930580546 674041425 /nfs/dbraw/zinc/04/14/25/674041425.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 1 353.555 0.540 10 0 FCAEMP C[C@@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000930580546 674041429 /nfs/dbraw/zinc/04/14/29/674041429.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 1 353.555 0.540 10 0 FCAEMP C[C@@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000930580546 674041431 /nfs/dbraw/zinc/04/14/31/674041431.db2.gz VBGSTCCJCIUIDY-IECFSIQFSA-N 2 1 353.555 0.540 10 0 FCAEMP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)ncn1 ZINC000333400108 215275202 /nfs/dbraw/zinc/27/52/02/215275202.db2.gz PXKYALPJYIEHEA-CXAGYDPISA-N 2 1 365.457 0.830 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000333754199 215316538 /nfs/dbraw/zinc/31/65/38/215316538.db2.gz ZMWKGGVRZVKBJE-KZNAEPCWSA-N 2 1 367.538 0.421 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000360524299 215363264 /nfs/dbraw/zinc/36/32/64/215363264.db2.gz XOKLTXPRLGYCEO-QGZVFWFLSA-N 2 1 365.522 0.857 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285371961 213331509 /nfs/dbraw/zinc/33/15/09/213331509.db2.gz ZJQRWSDOXVIROJ-QGZVFWFLSA-N 2 1 357.458 0.597 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1=O ZINC000261682527 209466311 /nfs/dbraw/zinc/46/63/11/209466311.db2.gz DLNGZDDQJLNBLN-XDNAFOTISA-N 2 1 362.518 0.777 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH2+]CCOC)cc2F)CC1 ZINC000236894330 209343942 /nfs/dbraw/zinc/34/39/42/209343942.db2.gz UVDXVIMXPRCXHP-UHFFFAOYSA-N 2 1 352.454 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000226580146 209339084 /nfs/dbraw/zinc/33/90/84/209339084.db2.gz ACCYPSSDMJJYIS-KZNAEPCWSA-N 2 1 352.523 0.724 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193421746 209313644 /nfs/dbraw/zinc/31/36/44/209313644.db2.gz KTHHAFNTJAQBFJ-UHFFFAOYSA-N 2 1 365.522 0.668 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@@H+]3CCCOCC3)CC2)CC1 ZINC000931290988 674107432 /nfs/dbraw/zinc/10/74/32/674107432.db2.gz JWOGWVOKCDHFND-KRWDZBQOSA-N 2 1 352.523 0.726 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC000931290988 674107435 /nfs/dbraw/zinc/10/74/35/674107435.db2.gz JWOGWVOKCDHFND-KRWDZBQOSA-N 2 1 352.523 0.726 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000415260120 245371896 /nfs/dbraw/zinc/37/18/96/245371896.db2.gz WFTSTXMJXVSRLR-MRXNPFEDSA-N 2 1 362.474 0.698 10 0 FCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000374778430 217171639 /nfs/dbraw/zinc/17/16/39/217171639.db2.gz OTDWYOYRLPDGSK-UHFFFAOYSA-N 2 1 372.579 0.902 10 0 FCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000181790990 209122293 /nfs/dbraw/zinc/12/22/93/209122293.db2.gz PNHVYNCFWXADAE-SJLPKXTDSA-N 2 1 368.522 0.585 10 0 FCAEMP CN1C[C@@H]2[C@@H](CCC[NH+]2C/C=C/C[N@@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)C1=O ZINC000375530139 217280776 /nfs/dbraw/zinc/28/07/76/217280776.db2.gz QVNFJSSBFCYPEO-ZJINIEKISA-N 2 1 360.502 0.648 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962887 245659369 /nfs/dbraw/zinc/65/93/69/245659369.db2.gz YTLDDVWWJNJEIC-HOTGVXAUSA-N 2 1 361.494 0.286 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000419139064 246010802 /nfs/dbraw/zinc/01/08/02/246010802.db2.gz RWFRUZQXEMRYSL-ZACQAIPSSA-N 2 1 359.474 0.544 10 0 FCAEMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419330686 246101046 /nfs/dbraw/zinc/10/10/46/246101046.db2.gz IGDSIQLSXKYANH-RLALBYLRSA-N 2 1 374.529 0.855 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419413258 246147170 /nfs/dbraw/zinc/14/71/70/246147170.db2.gz DKEKWEJOPFRUHY-YJBOKZPZSA-N 2 1 358.486 0.665 10 0 FCAEMP [NH3+][C@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000419395791 246131590 /nfs/dbraw/zinc/13/15/90/246131590.db2.gz RFXGMRAZAZIERF-LJQANCHMSA-N 2 1 366.465 0.977 10 0 FCAEMP [NH3+][C@H](CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000419395791 246131596 /nfs/dbraw/zinc/13/15/96/246131596.db2.gz RFXGMRAZAZIERF-LJQANCHMSA-N 2 1 366.465 0.977 10 0 FCAEMP CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409200 246143192 /nfs/dbraw/zinc/14/31/92/246143192.db2.gz DVXWDWDQTNMGEM-IAGOWNOFSA-N 2 1 362.474 0.247 10 0 FCAEMP CC[C@@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409200 246143196 /nfs/dbraw/zinc/14/31/96/246143196.db2.gz DVXWDWDQTNMGEM-IAGOWNOFSA-N 2 1 362.474 0.247 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000419424833 246156587 /nfs/dbraw/zinc/15/65/87/246156587.db2.gz OTRXKAWPGBAMQX-WNKDZCFJSA-N 2 1 350.507 0.824 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419523133 246189965 /nfs/dbraw/zinc/18/99/65/246189965.db2.gz AEBBSPKZGUIKCH-OKZBNKHCSA-N 2 1 374.485 0.167 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419594239 246213725 /nfs/dbraw/zinc/21/37/25/246213725.db2.gz URIQMWDFAYUDKN-PBHICJAKSA-N 2 1 374.485 0.767 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419594239 246213730 /nfs/dbraw/zinc/21/37/30/246213730.db2.gz URIQMWDFAYUDKN-PBHICJAKSA-N 2 1 374.485 0.767 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419538693 246197902 /nfs/dbraw/zinc/19/79/02/246197902.db2.gz XJPSKBJHMKSCIY-NJAFHUGGSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419538690 246198130 /nfs/dbraw/zinc/19/81/30/246198130.db2.gz XJPSKBJHMKSCIY-KBAYOESNSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000419539600 246198320 /nfs/dbraw/zinc/19/83/20/246198320.db2.gz GLENOQRRXGCZLN-GDBMZVCRSA-N 2 1 361.490 0.647 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419547152 246200212 /nfs/dbraw/zinc/20/02/12/246200212.db2.gz QZKVPGOBACNEQH-YOEHRIQHSA-N 2 1 362.474 0.550 10 0 FCAEMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419558611 246201595 /nfs/dbraw/zinc/20/15/95/246201595.db2.gz NAIPYXYXPKKJDM-IPYPFGDCSA-N 2 1 352.504 0.958 10 0 FCAEMP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419556671 246202369 /nfs/dbraw/zinc/20/23/69/246202369.db2.gz JIJFOKRXJROFQC-HIFRSBDPSA-N 2 1 352.504 0.973 10 0 FCAEMP CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1nccn1CC(F)(F)F ZINC000419663733 246235253 /nfs/dbraw/zinc/23/52/53/246235253.db2.gz QJRMEKRAXZCCCK-LLVKDONJSA-N 2 1 361.368 0.662 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000419594242 246214688 /nfs/dbraw/zinc/21/46/88/246214688.db2.gz URIQMWDFAYUDKN-YOEHRIQHSA-N 2 1 374.485 0.767 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 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GKZOWFCZZSXRAW-DLBZAZTESA-N 2 1 374.489 0.523 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000654476136 492308794 /nfs/dbraw/zinc/30/87/94/492308794.db2.gz GKZOWFCZZSXRAW-DLBZAZTESA-N 2 1 374.489 0.523 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[NH2+]1 ZINC000627476963 492314992 /nfs/dbraw/zinc/31/49/92/492314992.db2.gz OKMOARADLDZTOB-OVYGPGRDSA-N 2 1 366.506 0.343 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000627481720 492316772 /nfs/dbraw/zinc/31/67/72/492316772.db2.gz HLRADJNSJPYHEC-YSHGAJCASA-N 2 1 370.497 0.834 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000647594865 492331086 /nfs/dbraw/zinc/33/10/86/492331086.db2.gz URNRXLXQDBHBJZ-QAPCUYQASA-N 2 1 374.485 0.156 10 0 FCAEMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000647595055 492331103 /nfs/dbraw/zinc/33/11/03/492331103.db2.gz JPPRLJMWPARGFQ-WMZOPIPTSA-N 2 1 356.470 0.672 10 0 FCAEMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000647595178 492331407 /nfs/dbraw/zinc/33/14/07/492331407.db2.gz RGAWZZCUWPXSKZ-KBXCAEBGSA-N 2 1 356.470 0.672 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000634258816 492331433 /nfs/dbraw/zinc/33/14/33/492331433.db2.gz GMUUTGKODXGQTN-KRWDZBQOSA-N 2 1 365.522 0.714 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000654660646 492336418 /nfs/dbraw/zinc/33/64/18/492336418.db2.gz AROSNLBHAGJDIY-XHSDSOJGSA-N 2 1 351.495 0.275 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634746004 492366743 /nfs/dbraw/zinc/36/67/43/492366743.db2.gz BJSHXWJJWUFQJX-CPLUKWAASA-N 2 1 362.518 0.777 10 0 FCAEMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976974 492390718 /nfs/dbraw/zinc/39/07/18/492390718.db2.gz WNQYGUWHSWTPKO-BZUAXINKSA-N 2 1 350.507 0.824 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000642785822 492391802 /nfs/dbraw/zinc/39/18/02/492391802.db2.gz MJRHHBKLEHKLTJ-IAGOWNOFSA-N 2 1 357.458 0.155 10 0 FCAEMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000642785822 492391805 /nfs/dbraw/zinc/39/18/05/492391805.db2.gz MJRHHBKLEHKLTJ-IAGOWNOFSA-N 2 1 357.458 0.155 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000642786039 492391837 /nfs/dbraw/zinc/39/18/37/492391837.db2.gz YGUAMIFUHIWWLU-RSQNZQOJSA-N 2 1 374.529 0.857 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(N2CCOCC2)n1 ZINC000628051527 492452279 /nfs/dbraw/zinc/45/22/79/492452279.db2.gz IJHZTTLNQFKRKW-HNNXBMFYSA-N 2 1 364.494 0.315 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccnc(N2CCOCC2)n1 ZINC000628051527 492452282 /nfs/dbraw/zinc/45/22/82/492452282.db2.gz IJHZTTLNQFKRKW-HNNXBMFYSA-N 2 1 364.494 0.315 10 0 FCAEMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[NH+]3CCO)C2)CC1 ZINC000655552378 492456210 /nfs/dbraw/zinc/45/62/10/492456210.db2.gz XIURTFWXEOQLQR-WMZOPIPTSA-N 2 1 367.538 0.301 10 0 FCAEMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552378 492456213 /nfs/dbraw/zinc/45/62/13/492456213.db2.gz XIURTFWXEOQLQR-WMZOPIPTSA-N 2 1 367.538 0.301 10 0 FCAEMP CN1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552378 492456217 /nfs/dbraw/zinc/45/62/17/492456217.db2.gz XIURTFWXEOQLQR-WMZOPIPTSA-N 2 1 367.538 0.301 10 0 FCAEMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)C2)CC1 ZINC000655552378 492456218 /nfs/dbraw/zinc/45/62/18/492456218.db2.gz XIURTFWXEOQLQR-WMZOPIPTSA-N 2 1 367.538 0.301 10 0 FCAEMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552378 492456221 /nfs/dbraw/zinc/45/62/21/492456221.db2.gz XIURTFWXEOQLQR-WMZOPIPTSA-N 2 1 367.538 0.301 10 0 FCAEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917318 492488819 /nfs/dbraw/zinc/48/88/19/492488819.db2.gz PHVRUNYLRMBNLO-QWHCGFSZSA-N 2 1 374.411 0.781 10 0 FCAEMP [NH3+]C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000655922671 492489680 /nfs/dbraw/zinc/48/96/80/492489680.db2.gz RKCLDQZLXKDNRH-UONOGXRCSA-N 2 1 360.380 0.942 10 0 FCAEMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000643526149 492490989 /nfs/dbraw/zinc/49/09/89/492490989.db2.gz QUQIQOGRYXCFSA-BBWFWOEESA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)CC2 ZINC000643526303 492491424 /nfs/dbraw/zinc/49/14/24/492491424.db2.gz YIETWMWPPAQSSW-NXOAAHMSSA-N 2 1 350.507 0.903 10 0 FCAEMP C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970919 492500050 /nfs/dbraw/zinc/50/00/50/492500050.db2.gz NAMUAABKWVYCLR-MWDXBVQZSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970919 492500051 /nfs/dbraw/zinc/50/00/51/492500051.db2.gz NAMUAABKWVYCLR-MWDXBVQZSA-N 2 1 353.511 0.173 10 0 FCAEMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000643590003 492500994 /nfs/dbraw/zinc/50/09/94/492500994.db2.gz LLUJBNJOQSSWOG-IAGOWNOFSA-N 2 1 359.474 0.544 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656029400 492522307 /nfs/dbraw/zinc/52/23/07/492522307.db2.gz ZHPMBZROYNMWTE-IRXDYDNUSA-N 2 1 366.506 0.347 10 0 FCAEMP CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041967 492523674 /nfs/dbraw/zinc/52/36/74/492523674.db2.gz SFJIWFIRRVZSRX-WCVJEAGWSA-N 2 1 354.495 0.201 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000656082853 492543264 /nfs/dbraw/zinc/54/32/64/492543264.db2.gz VGGRMRMDUHYWFL-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1CCOC ZINC000656082853 492543268 /nfs/dbraw/zinc/54/32/68/492543268.db2.gz VGGRMRMDUHYWFL-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000649408967 492551574 /nfs/dbraw/zinc/55/15/74/492551574.db2.gz OZAKJJHVXGDMMJ-GOSISDBHSA-N 2 1 352.523 0.676 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000656284182 492568839 /nfs/dbraw/zinc/56/88/39/492568839.db2.gz OFNVIHOCJGRKOA-XHSDSOJGSA-N 2 1 362.474 0.989 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1cncc(C[N@H+]2C[C@H](O)C[C@H]2COC)c1 ZINC000649744620 492578802 /nfs/dbraw/zinc/57/88/02/492578802.db2.gz HHBHMJHNKGRDLL-INDMIFKZSA-N 2 1 365.474 0.245 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1cncc(C[N@@H+]2C[C@H](O)C[C@H]2COC)c1 ZINC000649744620 492578808 /nfs/dbraw/zinc/57/88/08/492578808.db2.gz HHBHMJHNKGRDLL-INDMIFKZSA-N 2 1 365.474 0.245 10 0 FCAEMP C[NH+]1CCN(C(=O)CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000649749490 492578985 /nfs/dbraw/zinc/57/89/85/492578985.db2.gz SNZCEZJHKCKLBS-UXHICEINSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH+]1CCN(C(=O)CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000649749490 492578989 /nfs/dbraw/zinc/57/89/89/492578989.db2.gz SNZCEZJHKCKLBS-UXHICEINSA-N 2 1 372.513 0.736 10 0 FCAEMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000629579336 492655771 /nfs/dbraw/zinc/65/57/71/492655771.db2.gz SAYAQLQFKAXFLO-UHFFFAOYSA-N 2 1 362.474 0.315 10 0 FCAEMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000629579336 492655776 /nfs/dbraw/zinc/65/57/76/492655776.db2.gz SAYAQLQFKAXFLO-UHFFFAOYSA-N 2 1 362.474 0.315 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000650995727 492692942 /nfs/dbraw/zinc/69/29/42/492692942.db2.gz NWRYVXJFTRJIEJ-HKUYNNGSSA-N 2 1 373.501 0.847 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2F)CC1 ZINC000629912798 492703626 /nfs/dbraw/zinc/70/36/26/492703626.db2.gz MXJVDXVUWSRQSR-INIZCTEOSA-N 2 1 364.465 0.764 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)cc2F)CC1 ZINC000629912798 492703631 /nfs/dbraw/zinc/70/36/31/492703631.db2.gz MXJVDXVUWSRQSR-INIZCTEOSA-N 2 1 364.465 0.764 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(C)(N3CCOCC3)CC2)C1=O ZINC000630381099 492744551 /nfs/dbraw/zinc/74/45/51/492744551.db2.gz AJVSOOPQDKRCJW-INIZCTEOSA-N 2 1 366.506 0.252 10 0 FCAEMP Cn1c2cc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccc2oc1=O ZINC000631820967 492858607 /nfs/dbraw/zinc/85/86/07/492858607.db2.gz LMMCYMZEYKXAOT-HNNXBMFYSA-N 2 1 358.442 0.775 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000631840223 492859879 /nfs/dbraw/zinc/85/98/79/492859879.db2.gz AYMABFHIKJNALV-CRAIPNDOSA-N 2 1 374.485 0.302 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000631840223 492859882 /nfs/dbraw/zinc/85/98/82/492859882.db2.gz AYMABFHIKJNALV-CRAIPNDOSA-N 2 1 374.485 0.302 10 0 FCAEMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631917526 492883019 /nfs/dbraw/zinc/88/30/19/492883019.db2.gz QMGSNGFEWVSFBD-CABCVRRESA-N 2 1 373.544 0.868 10 0 FCAEMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000631916841 492883082 /nfs/dbraw/zinc/88/30/82/492883082.db2.gz ASJXDGGXYMEOJI-ROUUACIJSA-N 2 1 367.515 0.459 10 0 FCAEMP Cc1ccc([C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000631917820 492883528 /nfs/dbraw/zinc/88/35/28/492883528.db2.gz WQTADUUZXHRAGL-CABCVRRESA-N 2 1 357.476 0.633 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924429 492887320 /nfs/dbraw/zinc/88/73/20/492887320.db2.gz VAZQMDXIPANUOC-IRXDYDNUSA-N 2 1 353.488 0.511 10 0 FCAEMP C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631928257 492888910 /nfs/dbraw/zinc/88/89/10/492888910.db2.gz VSHXXJFOJYIGEF-PBHICJAKSA-N 2 1 368.503 0.515 10 0 FCAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)NCCCN2CCCC2=O)C1 ZINC000652360363 492916419 /nfs/dbraw/zinc/91/64/19/492916419.db2.gz GBUHKYMNKGZCGX-IKGGRYGDSA-N 2 1 366.506 0.476 10 0 FCAEMP [NH3+]C1(CC(=O)N2CCN(CCO)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638227313 492923674 /nfs/dbraw/zinc/92/36/74/492923674.db2.gz PXZOPEOJRAVYII-UHFFFAOYSA-N 2 1 360.502 0.507 10 0 FCAEMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658523014 492926644 /nfs/dbraw/zinc/92/66/44/492926644.db2.gz SITKMGQIJGTKER-HOTGVXAUSA-N 2 1 368.522 0.545 10 0 FCAEMP CN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000658542502 492939717 /nfs/dbraw/zinc/93/97/17/492939717.db2.gz VHWYDSISMCXJFV-IAGOWNOFSA-N 2 1 366.506 0.251 10 0 FCAEMP CN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000658542501 492939812 /nfs/dbraw/zinc/93/98/12/492939812.db2.gz VHWYDSISMCXJFV-DLBZAZTESA-N 2 1 366.506 0.251 10 0 FCAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000645621058 492943597 /nfs/dbraw/zinc/94/35/97/492943597.db2.gz FQAYVLPKWJYIAX-BBRMVZONSA-N 2 1 373.457 0.288 10 0 FCAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000645621058 492943601 /nfs/dbraw/zinc/94/36/01/492943601.db2.gz FQAYVLPKWJYIAX-BBRMVZONSA-N 2 1 373.457 0.288 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652666907 492982453 /nfs/dbraw/zinc/98/24/53/492982453.db2.gz WZKFLNBSBOPVMS-FGTMMUONSA-N 2 1 374.485 0.199 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000658624381 492985489 /nfs/dbraw/zinc/98/54/89/492985489.db2.gz NBIRMVLUNBHUGG-IXDOHACOSA-N 2 1 368.522 0.497 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000652679612 492987232 /nfs/dbraw/zinc/98/72/32/492987232.db2.gz JTVHMYFQAYFZEU-CYBMUJFWSA-N 2 1 364.515 0.856 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000652679612 492987237 /nfs/dbraw/zinc/98/72/37/492987237.db2.gz JTVHMYFQAYFZEU-CYBMUJFWSA-N 2 1 364.515 0.856 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652683017 492988968 /nfs/dbraw/zinc/98/89/68/492988968.db2.gz AYIXIQWYTIYDMT-BRWVUGGUSA-N 2 1 368.522 0.437 10 0 FCAEMP O=C1CC[C@H]([NH+]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)CCN1 ZINC000632424775 492995141 /nfs/dbraw/zinc/99/51/41/492995141.db2.gz WTLSKMAPHKPILW-INIZCTEOSA-N 2 1 372.535 0.088 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000652719805 493001796 /nfs/dbraw/zinc/00/17/96/493001796.db2.gz NCUYWBPSZIQJOR-QZTJIDSGSA-N 2 1 358.486 0.965 10 0 FCAEMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000658751983 493041524 /nfs/dbraw/zinc/04/15/24/493041524.db2.gz SVHYGBDEXGVYLE-SJORKVTESA-N 2 1 368.522 0.497 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000626889670 493052415 /nfs/dbraw/zinc/05/24/15/493052415.db2.gz YZPFCQLDTDCKQE-QAPCUYQASA-N 2 1 374.485 0.757 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658802448 493060591 /nfs/dbraw/zinc/06/05/91/493060591.db2.gz NPPQHEMOVMZOEQ-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820407 493068552 /nfs/dbraw/zinc/06/85/52/493068552.db2.gz DGOUVZHWZKUVAV-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826695 493074064 /nfs/dbraw/zinc/07/40/64/493074064.db2.gz RKODSVDHKVWIOB-IAGOWNOFSA-N 2 1 350.507 0.873 10 0 FCAEMP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000653124836 493076632 /nfs/dbraw/zinc/07/66/32/493076632.db2.gz INSZIKNFDTYEKW-ZWOKBUDYSA-N 2 1 358.486 0.549 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000632725000 493078243 /nfs/dbraw/zinc/07/82/43/493078243.db2.gz ZCZMWMOOXQIAAL-UHFFFAOYSA-N 2 1 368.522 0.234 10 0 FCAEMP [NH3+]CC1(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000627011501 493079936 /nfs/dbraw/zinc/07/99/36/493079936.db2.gz BWULBQXKTQCJQL-KRWDZBQOSA-N 2 1 362.474 0.560 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646917887 493127090 /nfs/dbraw/zinc/12/70/90/493127090.db2.gz JKSYSRWTCNUDMI-WJWMFLMHSA-N 2 1 362.518 0.584 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646917887 493127095 /nfs/dbraw/zinc/12/70/95/493127095.db2.gz JKSYSRWTCNUDMI-WJWMFLMHSA-N 2 1 362.518 0.584 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646917887 493127098 /nfs/dbraw/zinc/12/70/98/493127098.db2.gz JKSYSRWTCNUDMI-WJWMFLMHSA-N 2 1 362.518 0.584 10 0 FCAEMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627292488 493136354 /nfs/dbraw/zinc/13/63/54/493136354.db2.gz VZKAGOUEFZZNBP-DLBZAZTESA-N 2 1 356.470 0.778 10 0 FCAEMP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659071955 493138749 /nfs/dbraw/zinc/13/87/49/493138749.db2.gz UPXMAWUCMPDFBA-QGZVFWFLSA-N 2 1 360.458 0.839 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000627301656 493141435 /nfs/dbraw/zinc/14/14/35/493141435.db2.gz KUGANYWNWGKTJK-QAPCUYQASA-N 2 1 374.485 0.392 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659078136 493141773 /nfs/dbraw/zinc/14/17/73/493141773.db2.gz GXVWOPBBZIPSOR-QGZVFWFLSA-N 2 1 360.458 0.887 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@H+]1C ZINC000659077942 493142044 /nfs/dbraw/zinc/14/20/44/493142044.db2.gz GBFXDOLQWDPWRJ-KBRIMQKVSA-N 2 1 360.458 0.885 10 0 FCAEMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@H]2C1 ZINC000659082464 493144735 /nfs/dbraw/zinc/14/47/35/493144735.db2.gz GXGOCNNTACZFCE-UXLLHSPISA-N 2 1 358.442 0.306 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000627311849 493145698 /nfs/dbraw/zinc/14/56/98/493145698.db2.gz JEEAVEDSMURKBO-HNNXBMFYSA-N 2 1 356.511 0.308 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000627319956 493151306 /nfs/dbraw/zinc/15/13/06/493151306.db2.gz LVFJHSIMDDPBMK-RLFYNMQTSA-N 2 1 374.485 0.390 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000627319956 493151309 /nfs/dbraw/zinc/15/13/09/493151309.db2.gz LVFJHSIMDDPBMK-RLFYNMQTSA-N 2 1 374.485 0.390 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627329491 493156198 /nfs/dbraw/zinc/15/61/98/493156198.db2.gz LUAYNNHEGIETPY-CGTJXYLNSA-N 2 1 374.485 0.260 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)CCC(F)(F)F ZINC000627337042 493159442 /nfs/dbraw/zinc/15/94/42/493159442.db2.gz QYSNRVSRORVVDD-UHFFFAOYSA-N 2 1 368.400 0.001 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)CCC(F)(F)F 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/nfs/dbraw/zinc/18/49/67/493184967.db2.gz RPPNSMWLDWYSPP-VQTJNVASSA-N 2 1 372.513 0.390 10 0 FCAEMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000653825080 493184973 /nfs/dbraw/zinc/18/49/73/493184973.db2.gz RPPNSMWLDWYSPP-VQTJNVASSA-N 2 1 372.513 0.390 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659553518 493211676 /nfs/dbraw/zinc/21/16/76/493211676.db2.gz IXJBARKHHSUJLD-QZTJIDSGSA-N 2 1 361.490 0.090 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659553518 493211678 /nfs/dbraw/zinc/21/16/78/493211678.db2.gz IXJBARKHHSUJLD-QZTJIDSGSA-N 2 1 361.490 0.090 10 0 FCAEMP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659611968 493221029 /nfs/dbraw/zinc/22/10/29/493221029.db2.gz UTLRTDWPUCGORY-KLHDSHLOSA-N 2 1 352.479 0.387 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659626196 493221792 /nfs/dbraw/zinc/22/17/92/493221792.db2.gz GIRRQOXKKOXFIG-QZTJIDSGSA-N 2 1 361.490 0.172 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659626196 493221794 /nfs/dbraw/zinc/22/17/94/493221794.db2.gz GIRRQOXKKOXFIG-QZTJIDSGSA-N 2 1 361.490 0.172 10 0 FCAEMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000659681329 493248848 /nfs/dbraw/zinc/24/88/48/493248848.db2.gz ZYKNNBCKJAPLQF-UHFFFAOYSA-N 2 1 362.474 0.331 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659689414 493254432 /nfs/dbraw/zinc/25/44/32/493254432.db2.gz CMZHEJWMALEJBX-OHTSDLOESA-N 2 1 356.470 0.717 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000659691961 493256055 /nfs/dbraw/zinc/25/60/55/493256055.db2.gz UZPUBSXOSRSSHH-BQTBQCLESA-N 2 1 356.470 0.499 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@H+]1CCc2ccccc2C1 ZINC000659691961 493256057 /nfs/dbraw/zinc/25/60/57/493256057.db2.gz UZPUBSXOSRSSHH-BQTBQCLESA-N 2 1 356.470 0.499 10 0 FCAEMP 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CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000673869651 493369570 /nfs/dbraw/zinc/36/95/70/493369570.db2.gz BMEVQDLMTYJULC-INIZCTEOSA-N 2 1 352.483 0.923 10 0 FCAEMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648766 493369678 /nfs/dbraw/zinc/36/96/78/493369678.db2.gz WZVGTUKSTTXHHO-IIWUUDQXSA-N 2 1 364.534 0.352 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000668544854 493373312 /nfs/dbraw/zinc/37/33/12/493373312.db2.gz LKADDSZOFQUSBW-GVDBMIGSSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C/C=C\CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000660826116 493382564 /nfs/dbraw/zinc/38/25/64/493382564.db2.gz ZFUCPCILDCMBAC-DTGBZTBESA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C/C=C\CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000660826116 493382565 /nfs/dbraw/zinc/38/25/65/493382565.db2.gz ZFUCPCILDCMBAC-DTGBZTBESA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C/C=C\CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000660826116 493382567 /nfs/dbraw/zinc/38/25/67/493382567.db2.gz ZFUCPCILDCMBAC-DTGBZTBESA-N 2 1 368.566 0.316 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660865727 493389121 /nfs/dbraw/zinc/38/91/21/493389121.db2.gz UFGDQXNPERDNJS-IAGOWNOFSA-N 2 1 367.538 0.565 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660865727 493389124 /nfs/dbraw/zinc/38/91/24/493389124.db2.gz UFGDQXNPERDNJS-IAGOWNOFSA-N 2 1 367.538 0.565 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660865727 493389127 /nfs/dbraw/zinc/38/91/27/493389127.db2.gz UFGDQXNPERDNJS-IAGOWNOFSA-N 2 1 367.538 0.565 10 0 FCAEMP C[C@H](CC[N@H+]1CC[C@H](Cn2ccnn2)C1)[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146162 493411449 /nfs/dbraw/zinc/41/14/49/493411449.db2.gz RXFGWNBBVQGNCU-SQNIBIBYSA-N 2 1 358.494 0.992 10 0 FCAEMP C[C@H](CC[NH+]1CC[C@H](Cn2ccnn2)C1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146162 493411450 /nfs/dbraw/zinc/41/14/50/493411450.db2.gz RXFGWNBBVQGNCU-SQNIBIBYSA-N 2 1 358.494 0.992 10 0 FCAEMP C[C@H](CC[NH+]1CC[C@H](Cn2ccnn2)C1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146162 493411452 /nfs/dbraw/zinc/41/14/52/493411452.db2.gz RXFGWNBBVQGNCU-SQNIBIBYSA-N 2 1 358.494 0.992 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605944 493450840 /nfs/dbraw/zinc/45/08/40/493450840.db2.gz SRWXVXRCBVYXFX-BBWFWOEESA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605944 493450842 /nfs/dbraw/zinc/45/08/42/493450842.db2.gz SRWXVXRCBVYXFX-BBWFWOEESA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605944 493450845 /nfs/dbraw/zinc/45/08/45/493450845.db2.gz SRWXVXRCBVYXFX-BBWFWOEESA-N 2 1 366.506 0.060 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000669250347 493482736 /nfs/dbraw/zinc/48/27/36/493482736.db2.gz JEYSIIMHKVKHOG-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000669250347 493482740 /nfs/dbraw/zinc/48/27/40/493482740.db2.gz JEYSIIMHKVKHOG-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000669250347 493482746 /nfs/dbraw/zinc/48/27/46/493482746.db2.gz JEYSIIMHKVKHOG-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662015669 493485183 /nfs/dbraw/zinc/48/51/83/493485183.db2.gz YTNRDCFLPKLKFU-MRXNPFEDSA-N 2 1 353.511 0.663 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662015669 493485184 /nfs/dbraw/zinc/48/51/84/493485184.db2.gz YTNRDCFLPKLKFU-MRXNPFEDSA-N 2 1 353.511 0.663 10 0 FCAEMP O=C1[C@@H](N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CCN1c1ccccc1 ZINC000662255535 493500415 /nfs/dbraw/zinc/50/04/15/493500415.db2.gz QSMYAEXFZOPDTN-MOPGFXCFSA-N 2 1 370.497 0.931 10 0 FCAEMP O=c1[nH]c(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)nc2ccccc21 ZINC000662261213 493500673 /nfs/dbraw/zinc/50/06/73/493500673.db2.gz UXUVHWSKYGFQJN-HNNXBMFYSA-N 2 1 369.469 0.974 10 0 FCAEMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279876 493502482 /nfs/dbraw/zinc/50/24/82/493502482.db2.gz MYOXHHWCVBOMEY-HOTGVXAUSA-N 2 1 357.520 0.834 10 0 FCAEMP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279876 493502484 /nfs/dbraw/zinc/50/24/84/493502484.db2.gz MYOXHHWCVBOMEY-HOTGVXAUSA-N 2 1 357.520 0.834 10 0 FCAEMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000662296103 493504659 /nfs/dbraw/zinc/50/46/59/493504659.db2.gz VYAWGTAPNCLQCU-KRWDZBQOSA-N 2 1 350.507 0.827 10 0 FCAEMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662298397 493504898 /nfs/dbraw/zinc/50/48/98/493504898.db2.gz VXQVXMDUXWXHQR-MRXNPFEDSA-N 2 1 374.551 0.096 10 0 FCAEMP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336503 493507811 /nfs/dbraw/zinc/50/78/11/493507811.db2.gz DMKNBVRJZOINIO-MRXNPFEDSA-N 2 1 360.506 0.867 10 0 FCAEMP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336503 493507813 /nfs/dbraw/zinc/50/78/13/493507813.db2.gz DMKNBVRJZOINIO-MRXNPFEDSA-N 2 1 360.506 0.867 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662437611 493515336 /nfs/dbraw/zinc/51/53/36/493515336.db2.gz GEQBJYRLZZOHBG-AWEZNQCLSA-N 2 1 363.462 0.459 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676089415 493522382 /nfs/dbraw/zinc/52/23/82/493522382.db2.gz FUYJSZAVBOCSCG-AWEZNQCLSA-N 2 1 350.467 0.231 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676089430 493522664 /nfs/dbraw/zinc/52/26/64/493522664.db2.gz FUYJSZAVBOCSCG-CQSZACIVSA-N 2 1 350.467 0.231 10 0 FCAEMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000676089269 493522929 /nfs/dbraw/zinc/52/29/29/493522929.db2.gz DOIFOLOMOYQJIK-LSDHHAIUSA-N 2 1 364.494 0.762 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)cn1 ZINC000676099907 493525224 /nfs/dbraw/zinc/52/52/24/493525224.db2.gz JWDAANUUQHHGRR-UHFFFAOYSA-N 2 1 356.430 0.967 10 0 FCAEMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662857418 493547244 /nfs/dbraw/zinc/54/72/44/493547244.db2.gz ARHVJKNVMCFGMS-XVLXNVKGSA-N 2 1 371.481 0.684 10 0 FCAEMP CN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900190 493550117 /nfs/dbraw/zinc/55/01/17/493550117.db2.gz KFNHKXHQUHDSHO-NXYGQSRBSA-N 2 1 352.523 0.900 10 0 FCAEMP CN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900190 493550118 /nfs/dbraw/zinc/55/01/18/493550118.db2.gz KFNHKXHQUHDSHO-NXYGQSRBSA-N 2 1 352.523 0.900 10 0 FCAEMP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662924358 493554328 /nfs/dbraw/zinc/55/43/28/493554328.db2.gz XZIWEONDFOATGD-GNZRSQJKSA-N 2 1 356.470 0.669 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484172 493573335 /nfs/dbraw/zinc/57/33/35/493573335.db2.gz OKXXXKFCLBVBMT-GOSISDBHSA-N 2 1 358.486 0.978 10 0 FCAEMP CCN(C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000663914906 493625289 /nfs/dbraw/zinc/62/52/89/493625289.db2.gz BONIKSLPBDIUIU-HZPDHXFCSA-N 2 1 353.511 0.665 10 0 FCAEMP CCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH+](C)C1 ZINC000663914906 493625291 /nfs/dbraw/zinc/62/52/91/493625291.db2.gz BONIKSLPBDIUIU-HZPDHXFCSA-N 2 1 353.511 0.665 10 0 FCAEMP CCN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH+](C)C1 ZINC000663914906 493625294 /nfs/dbraw/zinc/62/52/94/493625294.db2.gz BONIKSLPBDIUIU-HZPDHXFCSA-N 2 1 353.511 0.665 10 0 FCAEMP CCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664176773 493641683 /nfs/dbraw/zinc/64/16/83/493641683.db2.gz WZRKRCLKQXTWNA-HOTGVXAUSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](CC)C1 ZINC000664176773 493641686 /nfs/dbraw/zinc/64/16/86/493641686.db2.gz WZRKRCLKQXTWNA-HOTGVXAUSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](CC)C1 ZINC000664176773 493641688 /nfs/dbraw/zinc/64/16/88/493641688.db2.gz WZRKRCLKQXTWNA-HOTGVXAUSA-N 2 1 353.511 0.700 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000664312709 493652538 /nfs/dbraw/zinc/65/25/38/493652538.db2.gz ZONLHTRQXBLUJF-RDJZCZTQSA-N 3 1 359.584 0.995 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000664312709 493652541 /nfs/dbraw/zinc/65/25/41/493652541.db2.gz ZONLHTRQXBLUJF-RDJZCZTQSA-N 3 1 359.584 0.995 10 0 FCAEMP CN(CCC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1cc[nH+]cc1 ZINC000679408018 493678611 /nfs/dbraw/zinc/67/86/11/493678611.db2.gz VNBHYZGEWPDHGL-KRWDZBQOSA-N 2 1 359.474 0.849 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000665759991 493733044 /nfs/dbraw/zinc/73/30/44/493733044.db2.gz WAXYAYVCKCRRRZ-GVDBMIGSSA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000665759991 493733045 /nfs/dbraw/zinc/73/30/45/493733045.db2.gz WAXYAYVCKCRRRZ-GVDBMIGSSA-N 2 1 356.511 0.848 10 0 FCAEMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665759357 493733368 /nfs/dbraw/zinc/73/33/68/493733368.db2.gz DHASJDIMXMAROQ-KRWDZBQOSA-N 3 1 371.570 0.793 10 0 FCAEMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665759357 493733370 /nfs/dbraw/zinc/73/33/70/493733370.db2.gz DHASJDIMXMAROQ-KRWDZBQOSA-N 3 1 371.570 0.793 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000665759873 493733375 /nfs/dbraw/zinc/73/33/75/493733375.db2.gz SBIPOKFSRAYQNS-JSGCOSHPSA-N 2 1 354.417 0.967 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000665759873 493733378 /nfs/dbraw/zinc/73/33/78/493733378.db2.gz SBIPOKFSRAYQNS-JSGCOSHPSA-N 2 1 354.417 0.967 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000672118175 493737167 /nfs/dbraw/zinc/73/71/67/493737167.db2.gz QNQITMVNCIDMQI-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000672118175 493737169 /nfs/dbraw/zinc/73/71/69/493737169.db2.gz QNQITMVNCIDMQI-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000672118175 493737171 /nfs/dbraw/zinc/73/71/71/493737171.db2.gz QNQITMVNCIDMQI-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1CCOC ZINC000423528595 535425277 /nfs/dbraw/zinc/42/52/77/535425277.db2.gz ORGLYAWGDPLVCA-GVDBMIGSSA-N 2 1 366.506 0.156 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1CCOC ZINC000423528595 535425283 /nfs/dbraw/zinc/42/52/83/535425283.db2.gz ORGLYAWGDPLVCA-GVDBMIGSSA-N 2 1 366.506 0.156 10 0 FCAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000453823732 536034832 /nfs/dbraw/zinc/03/48/32/536034832.db2.gz SEMLTMTWXXVJIM-KRWDZBQOSA-N 2 1 362.474 0.650 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475470 546528353 /nfs/dbraw/zinc/52/83/53/546528353.db2.gz AQCKIQUXPOUFTP-HRCADAONSA-N 2 1 354.495 0.045 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475470 546528354 /nfs/dbraw/zinc/52/83/54/546528354.db2.gz AQCKIQUXPOUFTP-HRCADAONSA-N 2 1 354.495 0.045 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475470 546528356 /nfs/dbraw/zinc/52/83/56/546528356.db2.gz AQCKIQUXPOUFTP-HRCADAONSA-N 2 1 354.495 0.045 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127032470 546557410 /nfs/dbraw/zinc/55/74/10/546557410.db2.gz ZEXOLLXMKRBUAD-HNNXBMFYSA-N 2 1 350.467 0.374 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127600763 546561935 /nfs/dbraw/zinc/56/19/35/546561935.db2.gz XVLFSCUDFKMEDC-CQSZACIVSA-N 2 1 350.467 0.183 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)CCCO1 ZINC000458713403 546928442 /nfs/dbraw/zinc/92/84/42/546928442.db2.gz HMJPSFIFOWMKOX-SJORKVTESA-N 2 1 356.511 0.633 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCCO1 ZINC000458713403 546928446 /nfs/dbraw/zinc/92/84/46/546928446.db2.gz HMJPSFIFOWMKOX-SJORKVTESA-N 2 1 356.511 0.633 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CCCO1 ZINC000458713403 546928448 /nfs/dbraw/zinc/92/84/48/546928448.db2.gz HMJPSFIFOWMKOX-SJORKVTESA-N 2 1 356.511 0.633 10 0 FCAEMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248608242 674536938 /nfs/dbraw/zinc/53/69/38/674536938.db2.gz WWZVWKAABUVJCL-ARFHVFGLSA-N 2 1 350.507 0.953 10 0 FCAEMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248608242 674536941 /nfs/dbraw/zinc/53/69/41/674536941.db2.gz WWZVWKAABUVJCL-ARFHVFGLSA-N 2 1 350.507 0.953 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000897692126 665764158 /nfs/dbraw/zinc/76/41/58/665764158.db2.gz VAONTDCAPFHWNM-CQSZACIVSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000897692126 665764160 /nfs/dbraw/zinc/76/41/60/665764160.db2.gz VAONTDCAPFHWNM-CQSZACIVSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000897949535 665786922 /nfs/dbraw/zinc/78/69/22/665786922.db2.gz IMAACNVTMZRSCS-INIZCTEOSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000897949535 665786925 /nfs/dbraw/zinc/78/69/25/665786925.db2.gz IMAACNVTMZRSCS-INIZCTEOSA-N 2 1 354.495 0.202 10 0 FCAEMP Cn1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc(Br)c1=O ZINC000926064315 663302885 /nfs/dbraw/zinc/30/28/85/663302885.db2.gz IQVVBIUITGXZTP-UHFFFAOYSA-N 2 1 372.267 0.692 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896043432 665068454 /nfs/dbraw/zinc/06/84/54/665068454.db2.gz OZHFSQRXWNQPCL-ROUUACIJSA-N 3 1 352.523 0.582 10 0 FCAEMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000896043432 665068456 /nfs/dbraw/zinc/06/84/56/665068456.db2.gz OZHFSQRXWNQPCL-ROUUACIJSA-N 2 1 352.523 0.582 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000896043432 665068459 /nfs/dbraw/zinc/06/84/59/665068459.db2.gz OZHFSQRXWNQPCL-ROUUACIJSA-N 2 1 352.523 0.582 10 0 FCAEMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896795845 665106206 /nfs/dbraw/zinc/10/62/06/665106206.db2.gz DZZSDSMSAJXYJM-AWEZNQCLSA-N 2 1 353.463 0.193 10 0 FCAEMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@@H]21 ZINC000905026879 666003576 /nfs/dbraw/zinc/00/35/76/666003576.db2.gz KAYRIAWYKLAXPB-ORIJERBGSA-N 2 1 351.447 0.197 10 0 FCAEMP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@@H]21 ZINC000905026879 666003578 /nfs/dbraw/zinc/00/35/78/666003578.db2.gz KAYRIAWYKLAXPB-ORIJERBGSA-N 2 1 351.447 0.197 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906488031 666054396 /nfs/dbraw/zinc/05/43/96/666054396.db2.gz KEAHWTLLWCYCMR-GOSISDBHSA-N 3 1 353.555 0.354 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906488031 666054397 /nfs/dbraw/zinc/05/43/97/666054397.db2.gz KEAHWTLLWCYCMR-GOSISDBHSA-N 3 1 353.555 0.354 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906488031 666054398 /nfs/dbraw/zinc/05/43/98/666054398.db2.gz KEAHWTLLWCYCMR-GOSISDBHSA-N 3 1 353.555 0.354 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC(=O)NCC[NH+]2CCCCC2)C1 ZINC000909314137 666231117 /nfs/dbraw/zinc/23/11/17/666231117.db2.gz DBTYTHOIKYVPED-SFHVURJKSA-N 2 1 356.486 0.917 10 0 FCAEMP O[C@]1(C[NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C[NH2+]CCOC1 ZINC000077386041 666456473 /nfs/dbraw/zinc/45/64/73/666456473.db2.gz DGDVUMKRFJFBEC-SFHVURJKSA-N 2 1 355.429 0.870 10 0 FCAEMP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000912688401 666467780 /nfs/dbraw/zinc/46/77/80/666467780.db2.gz SWFYWFDQZFPOSI-JFIYKMOQSA-N 2 1 351.491 0.593 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000912688401 666467782 /nfs/dbraw/zinc/46/77/82/666467782.db2.gz SWFYWFDQZFPOSI-JFIYKMOQSA-N 2 1 351.491 0.593 10 0 FCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069034781 666494264 /nfs/dbraw/zinc/49/42/64/666494264.db2.gz RFQUFMJUQPGPHZ-HNNXBMFYSA-N 2 1 374.551 0.669 10 0 FCAEMP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000919500270 667180733 /nfs/dbraw/zinc/18/07/33/667180733.db2.gz ARSQFLSSZUPAQG-IAGOWNOFSA-N 2 1 369.579 0.893 10 0 FCAEMP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369091 667828292 /nfs/dbraw/zinc/82/82/92/667828292.db2.gz HGSRQLQKQUMRDI-HNNXBMFYSA-N 2 1 353.463 0.098 10 0 FCAEMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369091 667828296 /nfs/dbraw/zinc/82/82/96/667828296.db2.gz HGSRQLQKQUMRDI-HNNXBMFYSA-N 2 1 353.463 0.098 10 0 FCAEMP C[C@@H]1CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000923375475 667829148 /nfs/dbraw/zinc/82/91/48/667829148.db2.gz MSLSWLKKOPTRFK-QLFBSQMISA-N 2 1 361.552 0.905 10 0 FCAEMP C(CN1CCNCC[N@H+](CCC2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC000923394134 667830601 /nfs/dbraw/zinc/83/06/01/667830601.db2.gz CLDYIERXSUOPQD-UHFFFAOYSA-N 3 1 351.583 0.973 10 0 FCAEMP C(CN1CCNCC[N@@H+](CCC2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC000923394134 667830604 /nfs/dbraw/zinc/83/06/04/667830604.db2.gz CLDYIERXSUOPQD-UHFFFAOYSA-N 3 1 351.583 0.973 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923413360 667833308 /nfs/dbraw/zinc/83/33/08/667833308.db2.gz DCSAXSFSWYEENC-MPESAESLSA-N 2 1 353.369 0.865 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923413360 667833313 /nfs/dbraw/zinc/83/33/13/667833313.db2.gz DCSAXSFSWYEENC-MPESAESLSA-N 2 1 353.369 0.865 10 0 FCAEMP COc1ccc(CN(C)C(=O)[C@H](C)N2CC[NH2+]CC[NH2+]CC2)cc1F ZINC000923465000 667837740 /nfs/dbraw/zinc/83/77/40/667837740.db2.gz UDCXEXJWGYEDHP-AWEZNQCLSA-N 2 1 352.454 0.676 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000923461680 667837888 /nfs/dbraw/zinc/83/78/88/667837888.db2.gz RZZPQGYYOCGYQM-KRWDZBQOSA-N 2 1 350.438 0.220 10 0 FCAEMP C[C@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923500995 667841615 /nfs/dbraw/zinc/84/16/15/667841615.db2.gz QLVWEFJNBWTGDX-UONOGXRCSA-N 2 1 350.438 0.951 10 0 FCAEMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)S(C)(=O)=O ZINC000923498902 667841770 /nfs/dbraw/zinc/84/17/70/667841770.db2.gz QRKKSHGTQBBOIA-HUUCEWRRSA-N 2 1 362.540 0.079 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1C[NH3+] ZINC000923507848 667842185 /nfs/dbraw/zinc/84/21/85/667842185.db2.gz KVTFJXKGMIRLJQ-KGLIPLIRSA-N 2 1 368.503 0.792 10 0 FCAEMP COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]([C@@H]2CCCO2)C1 ZINC000923555770 667848528 /nfs/dbraw/zinc/84/85/28/667848528.db2.gz VNVIMOJLFLOYDS-PMPSAXMXSA-N 2 1 353.463 0.241 10 0 FCAEMP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000842006129 670624781 /nfs/dbraw/zinc/62/47/81/670624781.db2.gz VNGWZFGHHGGIHD-HUUCEWRRSA-N 2 1 359.465 0.794 10 0 FCAEMP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000842006129 670624782 /nfs/dbraw/zinc/62/47/82/670624782.db2.gz VNGWZFGHHGGIHD-HUUCEWRRSA-N 2 1 359.465 0.794 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223000 670910863 /nfs/dbraw/zinc/91/08/63/670910863.db2.gz QHSGZQGGORKPST-KRWDZBQOSA-N 3 1 352.523 0.535 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223000 670910866 /nfs/dbraw/zinc/91/08/66/670910866.db2.gz QHSGZQGGORKPST-KRWDZBQOSA-N 3 1 352.523 0.535 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223000 670910868 /nfs/dbraw/zinc/91/08/68/670910868.db2.gz QHSGZQGGORKPST-KRWDZBQOSA-N 3 1 352.523 0.535 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223000 670910869 /nfs/dbraw/zinc/91/08/69/670910869.db2.gz QHSGZQGGORKPST-KRWDZBQOSA-N 2 1 352.523 0.535 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223000 670910872 /nfs/dbraw/zinc/91/08/72/670910872.db2.gz QHSGZQGGORKPST-KRWDZBQOSA-N 2 1 352.523 0.535 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000846732085 671143413 /nfs/dbraw/zinc/14/34/13/671143413.db2.gz ATAPVVZOZZKJAH-JKSUJKDBSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846732085 671143417 /nfs/dbraw/zinc/14/34/17/671143417.db2.gz ATAPVVZOZZKJAH-JKSUJKDBSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846732085 671143418 /nfs/dbraw/zinc/14/34/18/671143418.db2.gz ATAPVVZOZZKJAH-JKSUJKDBSA-N 2 1 354.495 0.060 10 0 FCAEMP CCON(C)C(=O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848244844 671262811 /nfs/dbraw/zinc/26/28/11/671262811.db2.gz PIQOYBPCLXVMNW-UHFFFAOYSA-N 2 1 354.495 0.709 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849593631 671353383 /nfs/dbraw/zinc/35/33/83/671353383.db2.gz QPCCMWKTWSWPDC-ULQDDVLXSA-N 2 1 351.495 0.273 10 0 FCAEMP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)=NO1 ZINC000852824200 671526834 /nfs/dbraw/zinc/52/68/34/671526834.db2.gz RNINICSNGGFDFT-LLVKDONJSA-N 2 1 352.357 0.203 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000855347119 671638078 /nfs/dbraw/zinc/63/80/78/671638078.db2.gz UJJDHSSYSHVNRD-STQMWFEESA-N 2 1 366.428 0.928 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000855347119 671638079 /nfs/dbraw/zinc/63/80/79/671638079.db2.gz UJJDHSSYSHVNRD-STQMWFEESA-N 2 1 366.428 0.928 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856591245 671692976 /nfs/dbraw/zinc/69/29/76/671692976.db2.gz LDUAKRPMVOCRQI-MRXNPFEDSA-N 2 1 356.492 0.536 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856591245 671692979 /nfs/dbraw/zinc/69/29/79/671692979.db2.gz LDUAKRPMVOCRQI-MRXNPFEDSA-N 2 1 356.492 0.536 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856591245 671692980 /nfs/dbraw/zinc/69/29/80/671692980.db2.gz LDUAKRPMVOCRQI-MRXNPFEDSA-N 2 1 356.492 0.536 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856591245 671692982 /nfs/dbraw/zinc/69/29/82/671692982.db2.gz LDUAKRPMVOCRQI-MRXNPFEDSA-N 2 1 356.492 0.536 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N1CCc3sccc3C1)C2 ZINC000903491803 675933276 /nfs/dbraw/zinc/93/32/76/675933276.db2.gz BDVRIYMMXCCPAA-IYOUNJFTSA-N 2 1 363.483 0.845 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH3+] ZINC000903496354 675933694 /nfs/dbraw/zinc/93/36/94/675933694.db2.gz LGMNBMCMUSBMOB-INMHGKMJSA-N 2 1 371.547 0.861 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH3+] ZINC000903496354 675933695 /nfs/dbraw/zinc/93/36/95/675933695.db2.gz LGMNBMCMUSBMOB-INMHGKMJSA-N 2 1 371.547 0.861 10 0 FCAEMP CO[C@@H](CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C1CC1 ZINC000903561021 675944436 /nfs/dbraw/zinc/94/44/36/675944436.db2.gz CIXXDPLRGSUBIT-BBWFWOEESA-N 2 1 357.520 0.642 10 0 FCAEMP CO[C@@H](CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C1CC1 ZINC000903561021 675944437 /nfs/dbraw/zinc/94/44/37/675944437.db2.gz CIXXDPLRGSUBIT-BBWFWOEESA-N 2 1 357.520 0.642 10 0 FCAEMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903715268 675962925 /nfs/dbraw/zinc/96/29/25/675962925.db2.gz FVVQZZOFXKDHEA-VXGBXAGGSA-N 2 1 350.385 0.135 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](CCCF)CC2)cn1 ZINC000862115046 672028650 /nfs/dbraw/zinc/02/86/50/672028650.db2.gz ROZPYZJYGLRZRN-SJORKVTESA-N 2 1 351.470 0.959 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](CCCF)CC2)cn1 ZINC000862115046 672028654 /nfs/dbraw/zinc/02/86/54/672028654.db2.gz ROZPYZJYGLRZRN-SJORKVTESA-N 2 1 351.470 0.959 10 0 FCAEMP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884194 675980692 /nfs/dbraw/zinc/98/06/92/675980692.db2.gz UMWRPAODOJVWKE-LSDHHAIUSA-N 2 1 370.523 0.496 10 0 FCAEMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884194 675980695 /nfs/dbraw/zinc/98/06/95/675980695.db2.gz UMWRPAODOJVWKE-LSDHHAIUSA-N 2 1 370.523 0.496 10 0 FCAEMP COC(=O)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000903895433 675981274 /nfs/dbraw/zinc/98/12/74/675981274.db2.gz NSDQMAURYBQKRU-HOCLYGCPSA-N 2 1 351.451 0.747 10 0 FCAEMP COC(=O)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000903895433 675981276 /nfs/dbraw/zinc/98/12/76/675981276.db2.gz NSDQMAURYBQKRU-HOCLYGCPSA-N 2 1 351.451 0.747 10 0 FCAEMP CCN(C1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1)S(C)(=O)=O ZINC000903904264 675981487 /nfs/dbraw/zinc/98/14/87/675981487.db2.gz SVKCPUGDCLBSRX-OAHLLOKOSA-N 2 1 371.551 0.592 10 0 FCAEMP C[NH+]1CCN(c2ncc(CN3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cn2)CC1 ZINC000903983017 675985693 /nfs/dbraw/zinc/98/56/93/675985693.db2.gz ASNPVADPRRYPKX-KGLIPLIRSA-N 2 1 358.412 0.940 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cnn1C ZINC000903929857 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365.522 0.880 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000545858985 1211424485 /nfs/dbraw/zinc/42/44/85/1211424485.db2.gz MMGDLWDRTXZATG-QGZVFWFLSA-N 2 1 365.522 0.880 10 0 FCAEMP C[C@H]1[C@H](NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925327113 1211495864 /nfs/dbraw/zinc/49/58/64/1211495864.db2.gz FMLUXGXBWCQRJW-DOTOQJQBSA-N 2 1 365.522 0.665 10 0 FCAEMP C[C@H]1[C@H](NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925327113 1211495865 /nfs/dbraw/zinc/49/58/65/1211495865.db2.gz FMLUXGXBWCQRJW-DOTOQJQBSA-N 2 1 365.522 0.665 10 0 FCAEMP O=C(CNC(=O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000925842433 1211508878 /nfs/dbraw/zinc/50/88/78/1211508878.db2.gz WZQOPWQDZAMMIU-OKZBNKHCSA-N 2 1 374.485 0.166 10 0 FCAEMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926284779 1211525868 /nfs/dbraw/zinc/52/58/68/1211525868.db2.gz GQWOADBYJSTTDT-INIZCTEOSA-N 2 1 366.506 0.143 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000926318584 1211530670 /nfs/dbraw/zinc/53/06/70/1211530670.db2.gz AVNJEYGQRMSVKR-UUAJXVIYSA-N 2 1 366.506 0.140 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000926318584 1211530677 /nfs/dbraw/zinc/53/06/77/1211530677.db2.gz AVNJEYGQRMSVKR-UUAJXVIYSA-N 2 1 366.506 0.140 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@@H+]1CCOC ZINC000926359975 1211539165 /nfs/dbraw/zinc/53/91/65/1211539165.db2.gz FILAZZTXVIJEAD-BRWVUGGUSA-N 2 1 368.522 0.389 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC[N@H+]1CCOC ZINC000926359975 1211539171 /nfs/dbraw/zinc/53/91/71/1211539171.db2.gz FILAZZTXVIJEAD-BRWVUGGUSA-N 2 1 368.522 0.389 10 0 FCAEMP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927631838 1211576506 /nfs/dbraw/zinc/57/65/06/1211576506.db2.gz WAKWSNACMWGWKL-HDICACEKSA-N 2 1 366.506 0.792 10 0 FCAEMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631838 1211576511 /nfs/dbraw/zinc/57/65/11/1211576511.db2.gz WAKWSNACMWGWKL-HDICACEKSA-N 2 1 366.506 0.792 10 0 FCAEMP O=C(NC[C@H]1CC[NH+]1C1CCOCC1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927631838 1211576513 /nfs/dbraw/zinc/57/65/13/1211576513.db2.gz WAKWSNACMWGWKL-HDICACEKSA-N 2 1 366.506 0.792 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCO1 ZINC000927633094 1211577754 /nfs/dbraw/zinc/57/77/54/1211577754.db2.gz LPPQREQPTOUVCB-MSOLQXFVSA-N 2 1 368.522 0.992 10 0 FCAEMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927639497 1211578937 /nfs/dbraw/zinc/57/89/37/1211578937.db2.gz DEVVIWVOPMUOOH-WMZOPIPTSA-N 2 1 367.538 0.565 10 0 FCAEMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639497 1211578940 /nfs/dbraw/zinc/57/89/40/1211578940.db2.gz DEVVIWVOPMUOOH-WMZOPIPTSA-N 2 1 367.538 0.565 10 0 FCAEMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927639497 1211578942 /nfs/dbraw/zinc/57/89/42/1211578942.db2.gz DEVVIWVOPMUOOH-WMZOPIPTSA-N 2 1 367.538 0.565 10 0 FCAEMP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000929101699 1211617131 /nfs/dbraw/zinc/61/71/31/1211617131.db2.gz CRTXBINUCGGSIT-UHFFFAOYSA-N 2 1 366.506 0.348 10 0 FCAEMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C(C)C ZINC000929145022 1211619168 /nfs/dbraw/zinc/61/91/68/1211619168.db2.gz YMYSEVZOHBOKBT-IRXDYDNUSA-N 2 1 368.522 0.279 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCCC1 ZINC000929164366 1211620150 /nfs/dbraw/zinc/62/01/50/1211620150.db2.gz RRNLELSPJPXSON-MRXNPFEDSA-N 2 1 366.506 0.347 10 0 FCAEMP CC(C)[C@]1(C(=O)N2CCC[NH+](C)CC2)C[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000929226411 1211623667 /nfs/dbraw/zinc/62/36/67/1211623667.db2.gz YDCKOISXGCMRJY-FXAWDEMLSA-N 2 1 364.534 0.977 10 0 FCAEMP CC(C)[C@]1(C(=O)N2CCC[N@H+](C)CC2)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000929226411 1211623671 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CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001738520988 1289694849 /nfs/dbraw/zinc/69/48/49/1289694849.db2.gz MOTNLGGYAIUTSJ-VSUWIJLXSA-N 2 1 350.507 0.990 10 0 FCAEMP CCC[NH+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738520988 1289694867 /nfs/dbraw/zinc/69/48/67/1289694867.db2.gz MOTNLGGYAIUTSJ-VSUWIJLXSA-N 2 1 350.507 0.990 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)COC3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC001739024383 1289771806 /nfs/dbraw/zinc/77/18/06/1289771806.db2.gz QCSALMMYNVMTOT-GDBMZVCRSA-N 2 1 366.506 0.202 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001739383842 1289890436 /nfs/dbraw/zinc/89/04/36/1289890436.db2.gz SDCYOIWQKGKHEB-DLBZAZTESA-N 2 1 361.490 0.983 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001739383842 1289890449 /nfs/dbraw/zinc/89/04/49/1289890449.db2.gz SDCYOIWQKGKHEB-DLBZAZTESA-N 2 1 361.490 0.983 10 0 FCAEMP 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0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001739430108 1289970829 /nfs/dbraw/zinc/97/08/29/1289970829.db2.gz IXKAAHNQLHQSJL-GVDBMIGSSA-N 2 1 368.522 0.277 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@H]2C)C[C@H]1OC ZINC001702320235 1290039092 /nfs/dbraw/zinc/03/90/92/1290039092.db2.gz TZFUQVMHTBUTBX-BZUAXINKSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1OC ZINC001702320235 1290039102 /nfs/dbraw/zinc/03/91/02/1290039102.db2.gz TZFUQVMHTBUTBX-BZUAXINKSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1OC ZINC001702320235 1290039113 /nfs/dbraw/zinc/03/91/13/1290039113.db2.gz TZFUQVMHTBUTBX-BZUAXINKSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001739517228 1290100981 /nfs/dbraw/zinc/10/09/81/1290100981.db2.gz MSMCJLXDHXOMSC-ZACQAIPSSA-N 2 1 350.507 0.920 10 0 FCAEMP 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C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001740318713 1290531939 /nfs/dbraw/zinc/53/19/39/1290531939.db2.gz CZUBXLDUUQTABE-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001740358675 1290542542 /nfs/dbraw/zinc/54/25/42/1290542542.db2.gz ZNNLWHQBMOVVJJ-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP Cc1cn2nnc(C(=O)N(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c2c(=O)[nH]1 ZINC001628813508 1290556726 /nfs/dbraw/zinc/55/67/26/1290556726.db2.gz BBRZSGVSZYZNRP-CQSZACIVSA-N 2 1 373.461 0.379 10 0 FCAEMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001757621023 1290793712 /nfs/dbraw/zinc/79/37/12/1290793712.db2.gz XMBHCVHZOIQSMS-IXDOHACOSA-N 2 1 364.534 0.881 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001647942984 1291086529 /nfs/dbraw/zinc/08/65/29/1291086529.db2.gz XTWXINPVQLXMHF-OWLYRPNTSA-N 2 1 357.454 0.870 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001647942984 1291086535 /nfs/dbraw/zinc/08/65/35/1291086535.db2.gz XTWXINPVQLXMHF-OWLYRPNTSA-N 2 1 357.454 0.870 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001647942984 1291086539 /nfs/dbraw/zinc/08/65/39/1291086539.db2.gz XTWXINPVQLXMHF-OWLYRPNTSA-N 2 1 357.454 0.870 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001647942984 1291086544 /nfs/dbraw/zinc/08/65/44/1291086544.db2.gz XTWXINPVQLXMHF-OWLYRPNTSA-N 2 1 357.454 0.870 10 0 FCAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCC(=O)OC)C2=O)[C@@H](C)C1 ZINC001653367523 1291339231 /nfs/dbraw/zinc/33/92/31/1291339231.db2.gz RVWZYPHKRPRKJK-YESZJQIVSA-N 2 1 369.506 0.877 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCC(=O)OC)C2=O)[C@@H](C)C1 ZINC001653367523 1291339240 /nfs/dbraw/zinc/33/92/40/1291339240.db2.gz RVWZYPHKRPRKJK-YESZJQIVSA-N 2 1 369.506 0.877 10 0 FCAEMP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1)[NH+](C)C ZINC001656368947 1291516875 /nfs/dbraw/zinc/51/68/75/1291516875.db2.gz CREMCFDUQZEJQY-MJBXVCDLSA-N 2 1 352.483 0.850 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001656505718 1291535719 /nfs/dbraw/zinc/53/57/19/1291535719.db2.gz VXYVNSJTXZAQPT-UKRRQHHQSA-N 2 1 355.508 0.831 10 0 FCAEMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001656842634 1291566764 /nfs/dbraw/zinc/56/67/64/1291566764.db2.gz DCPVATIFNVFHQR-SJORKVTESA-N 2 1 352.523 0.977 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCN2CCCC2=O)C2CC2)CC[N@H+]1C ZINC001663723365 1291763805 /nfs/dbraw/zinc/76/38/05/1291763805.db2.gz WZBHUZRJDFQRHS-DLBZAZTESA-N 2 1 350.507 0.920 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CCN2CCCC2=O)C2CC2)CC[NH+]1C ZINC001663723365 1291763809 /nfs/dbraw/zinc/76/38/09/1291763809.db2.gz WZBHUZRJDFQRHS-DLBZAZTESA-N 2 1 350.507 0.920 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001667459863 1291937960 /nfs/dbraw/zinc/93/79/60/1291937960.db2.gz WJKINHSNKKEOET-SOUVJXGZSA-N 2 1 369.510 0.293 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001667826898 1291944150 /nfs/dbraw/zinc/94/41/50/1291944150.db2.gz OMAYLSCMLZYXGB-BPLDGKMQSA-N 2 1 355.429 0.914 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001667826899 1291944911 /nfs/dbraw/zinc/94/49/11/1291944911.db2.gz OMAYLSCMLZYXGB-VHDGCEQUSA-N 2 1 355.429 0.914 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCC3CCOCC3)C2)CC[N@H+]1C ZINC001673274114 1292103248 /nfs/dbraw/zinc/10/32/48/1292103248.db2.gz MTXGRYXKKBNUTM-KBAYOESNSA-N 2 1 353.507 0.960 10 0 FCAEMP CCCCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674933230 1292159169 /nfs/dbraw/zinc/15/91/69/1292159169.db2.gz WEFIRSWMHCDDLT-RRFJBIMHSA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001674933230 1292159171 /nfs/dbraw/zinc/15/91/71/1292159171.db2.gz WEFIRSWMHCDDLT-RRFJBIMHSA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001674933230 1292159174 /nfs/dbraw/zinc/15/91/74/1292159174.db2.gz WEFIRSWMHCDDLT-RRFJBIMHSA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001674933230 1292159176 /nfs/dbraw/zinc/15/91/76/1292159176.db2.gz WEFIRSWMHCDDLT-RRFJBIMHSA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674933230 1292159180 /nfs/dbraw/zinc/15/91/80/1292159180.db2.gz WEFIRSWMHCDDLT-RRFJBIMHSA-N 2 1 369.510 0.389 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC001676535183 1292206730 /nfs/dbraw/zinc/20/67/30/1292206730.db2.gz HYWRZXDIMFXCGU-HLLBOEOZSA-N 2 1 362.474 0.056 10 0 FCAEMP 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C[C@H](CNC(=O)C[NH+]1C[C@H](C)[C@](C)(CO)C1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000931065363 674090564 /nfs/dbraw/zinc/09/05/64/674090564.db2.gz HWFCHCHALDXCEA-MQOOWTBDSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@H](C)[C@](C)(CO)C1)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000931065363 674090566 /nfs/dbraw/zinc/09/05/66/674090566.db2.gz HWFCHCHALDXCEA-MQOOWTBDSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000284284016 213103466 /nfs/dbraw/zinc/10/34/66/213103466.db2.gz ATHSFMHGQLAWFK-RDJZCZTQSA-N 2 1 360.502 0.874 10 0 FCAEMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000245424399 209368168 /nfs/dbraw/zinc/36/81/68/209368168.db2.gz KAENKZOINCSFNW-RTBURBONSA-N 2 1 361.486 0.879 10 0 FCAEMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000245424399 209368169 /nfs/dbraw/zinc/36/81/69/209368169.db2.gz KAENKZOINCSFNW-RTBURBONSA-N 2 1 361.486 0.879 10 0 FCAEMP 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209236789 /nfs/dbraw/zinc/23/67/89/209236789.db2.gz KPGIKDSDVRSUJX-WBVHZDCISA-N 2 1 353.507 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000188700030 209236791 /nfs/dbraw/zinc/23/67/91/209236791.db2.gz KPGIKDSDVRSUJX-WBVHZDCISA-N 2 1 353.507 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000188700030 209236794 /nfs/dbraw/zinc/23/67/94/209236794.db2.gz KPGIKDSDVRSUJX-WBVHZDCISA-N 2 1 353.507 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000188700030 209236796 /nfs/dbraw/zinc/23/67/96/209236796.db2.gz KPGIKDSDVRSUJX-WBVHZDCISA-N 2 1 353.507 0.933 10 0 FCAEMP CC[C@@]1(CO)CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000187607100 209214220 /nfs/dbraw/zinc/21/42/20/209214220.db2.gz HSIZZOXLWZCQAN-IEBWSBKVSA-N 2 1 355.523 0.944 10 0 FCAEMP CC[C@@]1(CO)CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000187607100 209214223 /nfs/dbraw/zinc/21/42/23/209214223.db2.gz HSIZZOXLWZCQAN-IEBWSBKVSA-N 2 1 355.523 0.944 10 0 FCAEMP CC[C@@]1(CO)CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000187607100 209214225 /nfs/dbraw/zinc/21/42/25/209214225.db2.gz HSIZZOXLWZCQAN-IEBWSBKVSA-N 2 1 355.523 0.944 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC1CC[NH+](C)CC1 ZINC000931397525 674111795 /nfs/dbraw/zinc/11/17/95/674111795.db2.gz WITDERIXXGQSLY-QGZVFWFLSA-N 3 1 354.539 0.972 10 0 FCAEMP CC[C@]1(O)CCC[NH+]([C@H](C)CNC(=O)C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475687 674116977 /nfs/dbraw/zinc/11/69/77/674116977.db2.gz LSPZNBPNLZLBDV-NEWSRXKRSA-N 2 1 355.523 0.965 10 0 FCAEMP CC[C@]1(O)CCC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475687 674116978 /nfs/dbraw/zinc/11/69/78/674116978.db2.gz LSPZNBPNLZLBDV-NEWSRXKRSA-N 2 1 355.523 0.965 10 0 FCAEMP CC[C@]1(O)CCC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475687 674116979 /nfs/dbraw/zinc/11/69/79/674116979.db2.gz LSPZNBPNLZLBDV-NEWSRXKRSA-N 2 1 355.523 0.965 10 0 FCAEMP CC[C@]1(O)CCC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475687 674116980 /nfs/dbraw/zinc/11/69/80/674116980.db2.gz LSPZNBPNLZLBDV-NEWSRXKRSA-N 2 1 355.523 0.965 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000931516455 674118310 /nfs/dbraw/zinc/11/83/10/674118310.db2.gz UCJHPTIMVQUJKT-INIZCTEOSA-N 2 1 354.495 0.156 10 0 FCAEMP C[NH2+]CCCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000415304964 245382192 /nfs/dbraw/zinc/38/21/92/245382192.db2.gz IKMYBKSBCZNVCK-GJZGRUSLSA-N 2 1 362.474 0.960 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C[C@H](C)O1 ZINC000415338421 245388681 /nfs/dbraw/zinc/38/86/81/245388681.db2.gz ZDBASBCKNRVHPW-VBQJREDUSA-N 2 1 360.458 0.712 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C[C@H](C)O1 ZINC000415338421 245388688 /nfs/dbraw/zinc/38/86/88/245388688.db2.gz ZDBASBCKNRVHPW-VBQJREDUSA-N 2 1 360.458 0.712 10 0 FCAEMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000375177404 217225914 /nfs/dbraw/zinc/22/59/14/217225914.db2.gz BSBYZJVWATXRTO-YQQAZPJKSA-N 2 1 370.538 0.612 10 0 FCAEMP C[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000375855099 217325837 /nfs/dbraw/zinc/32/58/37/217325837.db2.gz YIQBLWDZSNUCSZ-QAETUUGQSA-N 2 1 359.536 0.937 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000375855099 217325841 /nfs/dbraw/zinc/32/58/41/217325841.db2.gz YIQBLWDZSNUCSZ-QAETUUGQSA-N 2 1 359.536 0.937 10 0 FCAEMP O=C1C[C@@]2(CC[NH+](CCCCCC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375926240 217335989 /nfs/dbraw/zinc/33/59/89/217335989.db2.gz FAJOQKWXQQDYCL-PMACEKPBSA-N 2 1 362.518 0.971 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419225338 246065815 /nfs/dbraw/zinc/06/58/15/246065815.db2.gz CNNRDWVKDYGNAL-UMVBOHGHSA-N 2 1 364.515 0.725 10 0 FCAEMP 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[NH3+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419840580 246314095 /nfs/dbraw/zinc/31/40/95/246314095.db2.gz SITXLFJRJRONRS-ROUUACIJSA-N 2 1 358.486 0.965 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000419852372 246322883 /nfs/dbraw/zinc/32/28/83/246322883.db2.gz QLIAQMJAINDCAQ-UHFFFAOYSA-N 2 1 359.474 0.374 10 0 FCAEMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419916894 246368416 /nfs/dbraw/zinc/36/84/16/246368416.db2.gz FJEUIWGDBWHXNA-CRAIPNDOSA-N 2 1 374.485 0.514 10 0 FCAEMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419916898 246368719 /nfs/dbraw/zinc/36/87/19/246368719.db2.gz FJEUIWGDBWHXNA-QAPCUYQASA-N 2 1 374.485 0.514 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419936681 246377110 /nfs/dbraw/zinc/37/71/10/246377110.db2.gz UQKOOTKSKQKUIP-SJLPKXTDSA-N 2 1 358.486 0.993 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548472 247047995 /nfs/dbraw/zinc/04/79/95/247047995.db2.gz DFABBUOBRJUHHW-MXHNKVEKSA-N 2 1 362.518 0.905 10 0 FCAEMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000423639240 247087733 /nfs/dbraw/zinc/08/77/33/247087733.db2.gz JEFDVTPLDNLXQB-RDJZCZTQSA-N 2 1 359.474 0.355 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000423639240 247087735 /nfs/dbraw/zinc/08/77/35/247087735.db2.gz JEFDVTPLDNLXQB-RDJZCZTQSA-N 2 1 359.474 0.355 10 0 FCAEMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000423652205 247095452 /nfs/dbraw/zinc/09/54/52/247095452.db2.gz WZFIUWVSCUTRFW-QZTJIDSGSA-N 2 1 373.501 0.887 10 0 FCAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000423652205 247095457 /nfs/dbraw/zinc/09/54/57/247095457.db2.gz WZFIUWVSCUTRFW-QZTJIDSGSA-N 2 1 373.501 0.887 10 0 FCAEMP 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0.487 10 0 FCAEMP COC(=O)C[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000373089481 489667028 /nfs/dbraw/zinc/66/70/28/489667028.db2.gz IKCBTMVUOQEYAU-CVEARBPZSA-N 2 1 355.479 0.487 10 0 FCAEMP CC[NH+]1CCN(CC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000428984757 489668930 /nfs/dbraw/zinc/66/89/30/489668930.db2.gz STZRVXCJTJZVSR-OAQYLSRUSA-N 2 1 374.529 0.719 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458335743 489677504 /nfs/dbraw/zinc/67/75/04/489677504.db2.gz LIPKQVOTBBJFGT-KRWDZBQOSA-N 2 1 368.522 0.777 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000429316424 489681717 /nfs/dbraw/zinc/68/17/17/489681717.db2.gz LNQPNGYEXWKEMA-SJORKVTESA-N 2 1 361.486 0.922 10 0 FCAEMP CSC1(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC[NH+](C)CC1 ZINC000458780436 489702018 /nfs/dbraw/zinc/70/20/18/489702018.db2.gz CZJMNEXHGHKSRH-OAHLLOKOSA-N 2 1 358.552 0.960 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000418609499 489709422 /nfs/dbraw/zinc/70/94/22/489709422.db2.gz FQPHSWJLXSKJDQ-MCIONIFRSA-N 2 1 365.444 0.947 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418679267 489718152 /nfs/dbraw/zinc/71/81/52/489718152.db2.gz WVDQIRSWVIYOBC-DAWZGUTISA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418679267 489718161 /nfs/dbraw/zinc/71/81/61/489718161.db2.gz WVDQIRSWVIYOBC-DAWZGUTISA-N 2 1 367.538 0.349 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000474447500 489763176 /nfs/dbraw/zinc/76/31/76/489763176.db2.gz BNJAWANXVUPNPU-UHFFFAOYSA-N 2 1 365.478 0.890 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418874776 489769638 /nfs/dbraw/zinc/76/96/38/489769638.db2.gz CFIBZBAFEMSRRQ-FSPWUOQZSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418874776 489769641 /nfs/dbraw/zinc/76/96/41/489769641.db2.gz CFIBZBAFEMSRRQ-FSPWUOQZSA-N 2 1 374.485 0.895 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418907619 489785874 /nfs/dbraw/zinc/78/58/74/489785874.db2.gz GXSGBNHHOBYAQX-CRAIPNDOSA-N 2 1 374.485 0.249 10 0 FCAEMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000418917185 489791461 /nfs/dbraw/zinc/79/14/61/489791461.db2.gz YGYGFYUXJHMPKF-RKTXRCNFSA-N 2 1 374.485 0.777 10 0 FCAEMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419082726 489849588 /nfs/dbraw/zinc/84/95/88/489849588.db2.gz VBYHPCYDGICAPZ-ZWKOTPCHSA-N 2 1 373.501 0.935 10 0 FCAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419082726 489849591 /nfs/dbraw/zinc/84/95/91/489849591.db2.gz VBYHPCYDGICAPZ-ZWKOTPCHSA-N 2 1 373.501 0.935 10 0 FCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000419088002 489851351 /nfs/dbraw/zinc/85/13/51/489851351.db2.gz QIOAZFGHXSZVDC-BYNSBNAKSA-N 2 1 354.495 0.105 10 0 FCAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000419088002 489851353 /nfs/dbraw/zinc/85/13/53/489851353.db2.gz QIOAZFGHXSZVDC-BYNSBNAKSA-N 2 1 354.495 0.105 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419103625 489856202 /nfs/dbraw/zinc/85/62/02/489856202.db2.gz SFLMODQWLNLXEA-CQSZACIVSA-N 2 1 372.391 0.861 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419103625 489856206 /nfs/dbraw/zinc/85/62/06/489856206.db2.gz SFLMODQWLNLXEA-CQSZACIVSA-N 2 1 372.391 0.861 10 0 FCAEMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000419124105 489867829 /nfs/dbraw/zinc/86/78/29/489867829.db2.gz WSTMXRZXZVEJGT-SFHVURJKSA-N 2 1 373.501 0.791 10 0 FCAEMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419982136 489872497 /nfs/dbraw/zinc/87/24/97/489872497.db2.gz VAYPLSHESPFLPO-SJORKVTESA-N 2 1 367.538 0.105 10 0 FCAEMP 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489980067 /nfs/dbraw/zinc/98/00/67/489980067.db2.gz DZKIYZYVSGQXRX-QZTJIDSGSA-N 2 1 366.554 0.044 10 0 FCAEMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000477633961 489980071 /nfs/dbraw/zinc/98/00/71/489980071.db2.gz DZKIYZYVSGQXRX-QZTJIDSGSA-N 2 1 366.554 0.044 10 0 FCAEMP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000477633961 489980073 /nfs/dbraw/zinc/98/00/73/489980073.db2.gz DZKIYZYVSGQXRX-QZTJIDSGSA-N 2 1 366.554 0.044 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)[C@H](C)C1 ZINC000477645737 489981192 /nfs/dbraw/zinc/98/11/92/489981192.db2.gz NULKFFBEGCEWEM-WBVHZDCISA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000420896755 490029317 /nfs/dbraw/zinc/02/93/17/490029317.db2.gz BHLXXXGTISQOKR-KRWDZBQOSA-N 2 1 373.457 0.424 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CCO)CC2)C1 ZINC000421043993 490045102 /nfs/dbraw/zinc/04/51/02/490045102.db2.gz RXIAMMSGRSCQFB-ZWKOTPCHSA-N 2 1 355.523 0.944 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CCO)CC2)C1 ZINC000421043993 490045106 /nfs/dbraw/zinc/04/51/06/490045106.db2.gz RXIAMMSGRSCQFB-ZWKOTPCHSA-N 2 1 355.523 0.944 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CCO)CC2)C1 ZINC000421043993 490045111 /nfs/dbraw/zinc/04/51/11/490045111.db2.gz RXIAMMSGRSCQFB-ZWKOTPCHSA-N 2 1 355.523 0.944 10 0 FCAEMP COC1([C@H](C)[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOCC1 ZINC000421040071 490045609 /nfs/dbraw/zinc/04/56/09/490045609.db2.gz WLHFFCHVEPAVRT-IRXDYDNUSA-N 2 1 371.522 0.633 10 0 FCAEMP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1C ZINC000440958885 490050438 /nfs/dbraw/zinc/05/04/38/490050438.db2.gz XBCAVDASPUUAEH-DZGCQCFKSA-N 2 1 356.430 1.147 10 0 FCAEMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379674642 490125999 /nfs/dbraw/zinc/12/59/99/490125999.db2.gz UYQHDBITEJTUDL-ROUUACIJSA-N 2 1 367.515 0.949 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465843464 490146007 /nfs/dbraw/zinc/14/60/07/490146007.db2.gz VTSAJIWGNWGTAH-DLBZAZTESA-N 2 1 363.506 0.585 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000465957517 490159007 /nfs/dbraw/zinc/15/90/07/490159007.db2.gz RMAPYXFCFLOARP-PMPSAXMXSA-N 2 1 353.511 0.698 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000465957517 490159012 /nfs/dbraw/zinc/15/90/12/490159012.db2.gz RMAPYXFCFLOARP-PMPSAXMXSA-N 2 1 353.511 0.698 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000465957517 490159023 /nfs/dbraw/zinc/15/90/23/490159023.db2.gz RMAPYXFCFLOARP-PMPSAXMXSA-N 2 1 353.511 0.698 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520827202 490196943 /nfs/dbraw/zinc/19/69/43/490196943.db2.gz PJNCPLVJOKMRJI-INIZCTEOSA-N 2 1 354.495 0.204 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507853203 490271051 /nfs/dbraw/zinc/27/10/51/490271051.db2.gz TZXUARATXBXFJO-MQVJKMGUSA-N 2 1 354.495 0.202 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000507853203 490271054 /nfs/dbraw/zinc/27/10/54/490271054.db2.gz TZXUARATXBXFJO-MQVJKMGUSA-N 2 1 354.495 0.202 10 0 FCAEMP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508528430 490335914 /nfs/dbraw/zinc/33/59/14/490335914.db2.gz MNWJAFANFAXMSR-KSZLIROESA-N 2 1 354.539 0.826 10 0 FCAEMP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508528430 490335915 /nfs/dbraw/zinc/33/59/15/490335915.db2.gz MNWJAFANFAXMSR-KSZLIROESA-N 2 1 354.539 0.826 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000498925813 490365479 /nfs/dbraw/zinc/36/54/79/490365479.db2.gz ACQOWRWYWWUZTR-SQNIBIBYSA-N 2 1 354.539 0.874 10 0 FCAEMP 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373.501 0.980 10 0 FCAEMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000518049409 490928959 /nfs/dbraw/zinc/92/89/59/490928959.db2.gz YXOGMMLNZJSXNN-HRCADAONSA-N 2 1 366.506 0.692 10 0 FCAEMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000518240146 490934037 /nfs/dbraw/zinc/93/40/37/490934037.db2.gz JKCFFMYXOIROTM-ALOPSCKCSA-N 3 1 367.538 0.070 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000562446024 491165909 /nfs/dbraw/zinc/16/59/09/491165909.db2.gz POAZVEZCUIYTBJ-QGZVFWFLSA-N 2 1 365.522 0.809 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000562446024 491165912 /nfs/dbraw/zinc/16/59/12/491165912.db2.gz POAZVEZCUIYTBJ-QGZVFWFLSA-N 2 1 365.522 0.809 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000562446023 491166060 /nfs/dbraw/zinc/16/60/60/491166060.db2.gz POAZVEZCUIYTBJ-KRWDZBQOSA-N 2 1 365.522 0.809 10 0 FCAEMP 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KTUAUYUIPIIZJX-ICSRJNTNSA-N 2 1 361.486 0.803 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646023066 493002270 /nfs/dbraw/zinc/00/22/70/493002270.db2.gz KTUAUYUIPIIZJX-ICSRJNTNSA-N 2 1 361.486 0.803 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728163 493006579 /nfs/dbraw/zinc/00/65/79/493006579.db2.gz WIBZTHXMJAPVHU-IAGOWNOFSA-N 2 1 368.522 0.387 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000652734667 493011506 /nfs/dbraw/zinc/01/15/06/493011506.db2.gz SIKIIQRCWPFJBW-MRXNPFEDSA-N 2 1 350.507 0.873 10 0 FCAEMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626796590 493020684 /nfs/dbraw/zinc/02/06/84/493020684.db2.gz OLYPPLFVKMVVEU-UHFFFAOYSA-N 2 1 360.458 0.907 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817964 493025661 /nfs/dbraw/zinc/02/56/61/493025661.db2.gz WLTJGEDAUMJPDL-CJNGLKHVSA-N 2 1 360.458 0.906 10 0 FCAEMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCOCC3)c2C1 ZINC000626859586 493039328 /nfs/dbraw/zinc/03/93/28/493039328.db2.gz YKKPPQLHPCEZKV-UHFFFAOYSA-N 2 1 360.458 0.975 10 0 FCAEMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCOCC3)c2C1 ZINC000626859586 493039333 /nfs/dbraw/zinc/03/93/33/493039333.db2.gz YKKPPQLHPCEZKV-UHFFFAOYSA-N 2 1 360.458 0.975 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626964119 493071068 /nfs/dbraw/zinc/07/10/68/493071068.db2.gz LVAQAKFOSIZYFH-LZQZEXGQSA-N 2 1 365.522 0.570 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000626981552 493074767 /nfs/dbraw/zinc/07/47/67/493074767.db2.gz RVMCAMVFYNMBEQ-INIZCTEOSA-N 2 1 364.494 0.127 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153911 493097149 /nfs/dbraw/zinc/09/71/49/493097149.db2.gz POUOZCFKTMHONK-CALCHBBNSA-N 2 1 367.538 0.694 10 0 FCAEMP [NH3+]C1(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627162020 493099004 /nfs/dbraw/zinc/09/90/04/493099004.db2.gz LRNLFQJOICZFKR-IBGZPJMESA-N 2 1 362.474 0.431 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000658926869 493111859 /nfs/dbraw/zinc/11/18/59/493111859.db2.gz IADHHJJQGLDILQ-CVEARBPZSA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000633075929 493115676 /nfs/dbraw/zinc/11/56/76/493115676.db2.gz MKWRVYLAYXWFOG-SJLPKXTDSA-N 2 1 358.486 0.774 10 0 FCAEMP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000633092673 493122801 /nfs/dbraw/zinc/12/28/01/493122801.db2.gz AWKDOBJHWCRELN-HNNXBMFYSA-N 2 1 352.479 0.040 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071831 493138967 /nfs/dbraw/zinc/13/89/67/493138967.db2.gz TWPUTSLEXVSEKJ-QGZVFWFLSA-N 2 1 371.441 0.997 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297314 493139700 /nfs/dbraw/zinc/13/97/00/493139700.db2.gz HJFVQGIZHYEHKB-CABCVRRESA-N 2 1 354.495 0.237 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000627301657 493141298 /nfs/dbraw/zinc/14/12/98/493141298.db2.gz KUGANYWNWGKTJK-YJBOKZPZSA-N 2 1 374.485 0.392 10 0 FCAEMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000659080805 493144201 /nfs/dbraw/zinc/14/42/01/493144201.db2.gz SXJKTVGUMJYLDP-GOSISDBHSA-N 2 1 372.469 0.983 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000627311850 493145558 /nfs/dbraw/zinc/14/55/58/493145558.db2.gz JEEAVEDSMURKBO-OAHLLOKOSA-N 2 1 356.511 0.308 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311574 493145809 /nfs/dbraw/zinc/14/58/09/493145809.db2.gz CALOIFNAUDXOPH-RGCFKVTRSA-N 2 1 350.507 0.681 10 0 FCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627320336 493151175 /nfs/dbraw/zinc/15/11/75/493151175.db2.gz ZBVDOVHKHALRQV-LZQZEXGQSA-N 2 1 350.507 0.825 10 0 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ZINC000853683128 671554098 /nfs/dbraw/zinc/55/40/98/671554098.db2.gz NCJJDXWKRKPJDD-GVDBMIGSSA-N 2 1 355.527 0.421 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000853683128 671554101 /nfs/dbraw/zinc/55/41/01/671554101.db2.gz NCJJDXWKRKPJDD-GVDBMIGSSA-N 3 1 355.527 0.421 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000853683128 671554102 /nfs/dbraw/zinc/55/41/02/671554102.db2.gz NCJJDXWKRKPJDD-GVDBMIGSSA-N 3 1 355.527 0.421 10 0 FCAEMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683128 671554103 /nfs/dbraw/zinc/55/41/03/671554103.db2.gz NCJJDXWKRKPJDD-GVDBMIGSSA-N 3 1 355.527 0.421 10 0 FCAEMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000853683128 671554104 /nfs/dbraw/zinc/55/41/04/671554104.db2.gz NCJJDXWKRKPJDD-GVDBMIGSSA-N 3 1 355.527 0.421 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000853683875 671554114 /nfs/dbraw/zinc/55/41/14/671554114.db2.gz XPDOVWYVTCPATE-BBWFWOEESA-N 2 1 354.495 0.602 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000855345744 671637782 /nfs/dbraw/zinc/63/77/82/671637782.db2.gz HQJDEXSEXGYPON-AWEZNQCLSA-N 2 1 370.519 0.265 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000855345744 671637784 /nfs/dbraw/zinc/63/77/84/671637784.db2.gz HQJDEXSEXGYPON-AWEZNQCLSA-N 2 1 370.519 0.265 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000855346463 671638138 /nfs/dbraw/zinc/63/81/38/671638138.db2.gz DASYORBVWNBQOW-NSHDSACASA-N 2 1 355.870 0.836 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000855346463 671638142 /nfs/dbraw/zinc/63/81/42/671638142.db2.gz DASYORBVWNBQOW-NSHDSACASA-N 2 1 355.870 0.836 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903483985 675932576 /nfs/dbraw/zinc/93/25/76/675932576.db2.gz NIRUDBBNQWTDBH-IRXDYDNUSA-N 2 1 352.523 0.724 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903483983 675932626 /nfs/dbraw/zinc/93/26/26/675932626.db2.gz NIRUDBBNQWTDBH-IAGOWNOFSA-N 2 1 352.523 0.724 10 0 FCAEMP CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494488 675933256 /nfs/dbraw/zinc/93/32/56/675933256.db2.gz GLCBXEQZOQWSMG-WDMOLILDSA-N 2 1 351.369 0.610 10 0 FCAEMP C[Si](C)(CC[NH+]1C[C@@H]2COC[C@H](C1)O2)CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000859297091 671811416 /nfs/dbraw/zinc/81/14/16/671811416.db2.gz TYKPVMQYPPLALS-USTZCAOPSA-N 2 1 370.566 0.894 10 0 FCAEMP CCOC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903561070 675944456 /nfs/dbraw/zinc/94/44/56/675944456.db2.gz FBPQZVMENMKXHJ-BHYGNILZSA-N 2 1 359.536 0.889 10 0 FCAEMP CCOC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903561070 675944457 /nfs/dbraw/zinc/94/44/57/675944457.db2.gz FBPQZVMENMKXHJ-BHYGNILZSA-N 2 1 359.536 0.889 10 0 FCAEMP CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903720196 675963486 /nfs/dbraw/zinc/96/34/86/675963486.db2.gz IGLRTYXDTFCAEU-BHYGNILZSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[C@H](C)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903720196 675963489 /nfs/dbraw/zinc/96/34/89/675963489.db2.gz IGLRTYXDTFCAEU-BHYGNILZSA-N 2 1 350.507 0.917 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000903724584 675964015 /nfs/dbraw/zinc/96/40/15/675964015.db2.gz VLFAJAHAGUBKPL-QWHCGFSZSA-N 2 1 362.396 0.279 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[N@@H+]1CCOC ZINC000903758421 675968930 /nfs/dbraw/zinc/96/89/30/675968930.db2.gz HRIRXIVJQYHWOK-LSDHHAIUSA-N 2 1 354.495 0.141 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC[N@H+]1CCOC ZINC000903758421 675968933 /nfs/dbraw/zinc/96/89/33/675968933.db2.gz HRIRXIVJQYHWOK-LSDHHAIUSA-N 2 1 354.495 0.141 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903750150 675967558 /nfs/dbraw/zinc/96/75/58/675967558.db2.gz HHAFYFSORIJDNE-FVCCEPFGSA-N 2 1 364.412 0.666 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000903750151 675967646 /nfs/dbraw/zinc/96/76/46/675967646.db2.gz HHAFYFSORIJDNE-LPWJVIDDSA-N 2 1 364.412 0.666 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCC1(C)C ZINC000903777507 675972638 /nfs/dbraw/zinc/97/26/38/675972638.db2.gz YZGOLOXBPONILP-GHMZBOCLSA-N 2 1 350.385 0.277 10 0 FCAEMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000903784125 675973031 /nfs/dbraw/zinc/97/30/31/675973031.db2.gz BZESNPXSOOXWRD-HNNXBMFYSA-N 2 1 354.495 0.156 10 0 FCAEMP FC(F)(F)[C@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918548 675982448 /nfs/dbraw/zinc/98/24/48/675982448.db2.gz BDPMGOLQZOCFKL-OCCSQVGLSA-N 2 1 361.416 0.128 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cnn1C ZINC000903927333 675983106 /nfs/dbraw/zinc/98/31/06/675983106.db2.gz XNXRINDLHWGIPI-GOSISDBHSA-N 3 1 350.555 0.709 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cnn1C ZINC000903929858 675983380 /nfs/dbraw/zinc/98/33/80/675983380.db2.gz NABGOJXKJFTTDR-OAHLLOKOSA-N 2 1 369.535 0.346 10 0 FCAEMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933927 675983574 /nfs/dbraw/zinc/98/35/74/675983574.db2.gz BEAWXDYMPWZMMZ-HUUCEWRRSA-N 2 1 357.524 0.107 10 0 FCAEMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709093 672290291 /nfs/dbraw/zinc/29/02/91/672290291.db2.gz PTGROZQFKYKSCR-NPJQDHAYSA-N 2 1 350.463 0.643 10 0 FCAEMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709093 672290295 /nfs/dbraw/zinc/29/02/95/672290295.db2.gz PTGROZQFKYKSCR-NPJQDHAYSA-N 2 1 350.463 0.643 10 0 FCAEMP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710494 672290638 /nfs/dbraw/zinc/29/06/38/672290638.db2.gz YOWWLJDMKYVRIT-FPCVCCKLSA-N 2 1 350.463 0.644 10 0 FCAEMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710494 672290641 /nfs/dbraw/zinc/29/06/41/672290641.db2.gz YOWWLJDMKYVRIT-FPCVCCKLSA-N 2 1 350.463 0.644 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C[C@@H]1C ZINC000867514847 672329741 /nfs/dbraw/zinc/32/97/41/672329741.db2.gz QSSQNRCFHARQMM-VVLHAWIVSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@@H]1C ZINC000867514847 672329743 /nfs/dbraw/zinc/32/97/43/672329743.db2.gz QSSQNRCFHARQMM-VVLHAWIVSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C[C@@H]1C ZINC000867514847 672329745 /nfs/dbraw/zinc/32/97/45/672329745.db2.gz QSSQNRCFHARQMM-VVLHAWIVSA-N 2 1 350.507 0.870 10 0 FCAEMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867540934 672334502 /nfs/dbraw/zinc/33/45/02/672334502.db2.gz XRNMJWIGUISAEO-IAGOWNOFSA-N 2 1 350.507 0.873 10 0 FCAEMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411213 672399170 /nfs/dbraw/zinc/39/91/70/672399170.db2.gz NPTWFDJKFUKLRU-RTBURBONSA-N 2 1 350.507 0.764 10 0 FCAEMP CCN1CC[NH+](CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870020827 672461694 /nfs/dbraw/zinc/46/16/94/672461694.db2.gz HELXWCYMDLEYME-QZTJIDSGSA-N 3 1 353.555 0.212 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997044 672524612 /nfs/dbraw/zinc/52/46/12/672524612.db2.gz JPYIICALKYBCQV-QXSJWSMHSA-N 2 1 350.463 0.644 10 0 FCAEMP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146508 672594581 /nfs/dbraw/zinc/59/45/81/672594581.db2.gz PLKHQBXOEFXIFW-QBPKDAKJSA-N 2 1 351.491 0.639 10 0 FCAEMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1C(F)(F)F ZINC000872188680 672597977 /nfs/dbraw/zinc/59/79/77/672597977.db2.gz YWSGOCGPGIQTQD-CHWSQXEVSA-N 2 1 362.396 0.136 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000872189359 672598345 /nfs/dbraw/zinc/59/83/45/672598345.db2.gz GFIYFFBCUZFOLP-DRZSPHRISA-N 2 1 362.396 0.277 10 0 FCAEMP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872193997 672602073 /nfs/dbraw/zinc/60/20/73/672602073.db2.gz DLESVRQXJBXLQH-RYUDHWBXSA-N 2 1 350.385 0.135 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256075 672609354 /nfs/dbraw/zinc/60/93/54/672609354.db2.gz LYNUMSAHDOWZQJ-XHSDSOJGSA-N 2 1 350.463 0.644 10 0 FCAEMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930144345 673721829 /nfs/dbraw/zinc/72/18/29/673721829.db2.gz DDPZXOTWKBKPDN-SFHVURJKSA-N 2 1 358.523 0.959 10 0 FCAEMP 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CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001490694735 1209416457 /nfs/dbraw/zinc/41/64/57/1209416457.db2.gz OPTQIGNUPZYFDJ-LTIDMASMSA-N 2 1 366.506 0.297 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001490694735 1209416464 /nfs/dbraw/zinc/41/64/64/1209416464.db2.gz OPTQIGNUPZYFDJ-LTIDMASMSA-N 2 1 366.506 0.297 10 0 FCAEMP [NH3+]C[C@@H]1CC(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852872147 1209570487 /nfs/dbraw/zinc/57/04/87/1209570487.db2.gz BQVGIVVQPHSUMB-SFHVURJKSA-N 2 1 373.501 0.804 10 0 FCAEMP CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000855345889 1209666240 /nfs/dbraw/zinc/66/62/40/1209666240.db2.gz JSZFKSUFMNVFHY-LZNQSLFOSA-N 2 1 361.490 0.843 10 0 FCAEMP CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000855345889 1209666244 /nfs/dbraw/zinc/66/62/44/1209666244.db2.gz JSZFKSUFMNVFHY-LZNQSLFOSA-N 2 1 361.490 0.843 10 0 FCAEMP CCc1noc(C[C@]2(O)CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000856676090 1209723163 /nfs/dbraw/zinc/72/31/63/1209723163.db2.gz FHUATXDEIQNZSB-GOSISDBHSA-N 2 1 365.478 0.166 10 0 FCAEMP CCc1noc(C[C@]2(O)CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000856676090 1209723169 /nfs/dbraw/zinc/72/31/69/1209723169.db2.gz FHUATXDEIQNZSB-GOSISDBHSA-N 2 1 365.478 0.166 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000861760680 1209880761 /nfs/dbraw/zinc/88/07/61/1209880761.db2.gz LXEAIVSEYABJCP-VPWXQRGCSA-N 2 1 358.486 0.881 10 0 FCAEMP COc1ccc([C@@H](C[NH3+])CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863546373 1209944580 /nfs/dbraw/zinc/94/45/80/1209944580.db2.gz CEWLXXFNMKPINK-IPELMVKDSA-N 2 1 374.485 0.995 10 0 FCAEMP CN(C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863552368 1209945029 /nfs/dbraw/zinc/94/50/29/1209945029.db2.gz YNRBFWMGYITPEZ-SJORKVTESA-N 2 1 358.442 0.906 10 0 FCAEMP NC(=O)c1ccc(CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000866661473 1210000732 /nfs/dbraw/zinc/00/07/32/1210000732.db2.gz QKURHYAFGLUQJG-SJLPKXTDSA-N 2 1 358.486 0.908 10 0 FCAEMP Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000866658939 1210000861 /nfs/dbraw/zinc/00/08/61/1210000861.db2.gz ALNWMSNZFOCLDS-HZPDHXFCSA-N 2 1 359.474 0.909 10 0 FCAEMP Cc1cccnc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000866658939 1210000863 /nfs/dbraw/zinc/00/08/63/1210000863.db2.gz ALNWMSNZFOCLDS-HZPDHXFCSA-N 2 1 359.474 0.909 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707634 1210001867 /nfs/dbraw/zinc/00/18/67/1210001867.db2.gz JIDNTNHTIMMUEJ-IKIFYQGPSA-N 2 1 364.490 0.937 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707634 1210001868 /nfs/dbraw/zinc/00/18/68/1210001868.db2.gz JIDNTNHTIMMUEJ-IKIFYQGPSA-N 2 1 364.490 0.937 10 0 FCAEMP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706875 1210002358 /nfs/dbraw/zinc/00/23/58/1210002358.db2.gz CORMMOYQVJWWLW-DDBAPUKQSA-N 2 1 372.469 0.601 10 0 FCAEMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706875 1210002360 /nfs/dbraw/zinc/00/23/60/1210002360.db2.gz CORMMOYQVJWWLW-DDBAPUKQSA-N 2 1 372.469 0.601 10 0 FCAEMP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCc1ccccc1 ZINC000866709955 1210003444 /nfs/dbraw/zinc/00/34/44/1210003444.db2.gz UIAQUZYSTHYVAL-KURKYZTESA-N 2 1 372.469 0.602 10 0 FCAEMP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCc1ccccc1 ZINC000866709955 1210003447 /nfs/dbraw/zinc/00/34/47/1210003447.db2.gz UIAQUZYSTHYVAL-KURKYZTESA-N 2 1 372.469 0.602 10 0 FCAEMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867508212 1210010258 /nfs/dbraw/zinc/01/02/58/1210010258.db2.gz ZGIJBRIJXVDMNX-RDJZCZTQSA-N 2 1 362.474 0.722 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCO1 ZINC000867740865 1210026731 /nfs/dbraw/zinc/02/67/31/1210026731.db2.gz LNNVYNSQDRWWRE-INIZCTEOSA-N 2 1 368.522 0.498 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C(C)(C)CC3)CC2)c1 ZINC000867743019 1210027386 /nfs/dbraw/zinc/02/73/86/1210027386.db2.gz FGZZJRCFQRHJCI-UHFFFAOYSA-N 2 1 373.501 0.981 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C(C)(C)CC3)CC2)c1 ZINC000867743019 1210027390 /nfs/dbraw/zinc/02/73/90/1210027390.db2.gz FGZZJRCFQRHJCI-UHFFFAOYSA-N 2 1 373.501 0.981 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000868274248 1210048139 /nfs/dbraw/zinc/04/81/39/1210048139.db2.gz ZUWGRKNNOXIBNS-HZPDHXFCSA-N 2 1 373.501 0.820 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@@H]21 ZINC000868309219 1210050793 /nfs/dbraw/zinc/05/07/93/1210050793.db2.gz HAQWODOALXSGQA-HOCLYGCPSA-N 2 1 358.442 0.660 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@H]21 ZINC000868308721 1210051316 /nfs/dbraw/zinc/05/13/16/1210051316.db2.gz CXHGNJSIUJLCNR-XJKSGUPXSA-N 2 1 360.433 0.963 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@H]3C[NH3+])CC[C@@H]21 ZINC000868393636 1210061520 /nfs/dbraw/zinc/06/15/20/1210061520.db2.gz QLJHERBWMLMEKP-BPQIPLTHSA-N 2 1 356.470 0.624 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868411192 1210063376 /nfs/dbraw/zinc/06/33/76/1210063376.db2.gz UKZVBOVJLRPUDP-KZNAEPCWSA-N 2 1 362.518 0.777 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870867388 1210120993 /nfs/dbraw/zinc/12/09/93/1210120993.db2.gz KPYPFUKAHRQPNT-UWVAXJGDSA-N 2 1 356.470 0.818 10 0 FCAEMP CC(=O)N1CCN(C(=O)[C@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000871784944 1210170232 /nfs/dbraw/zinc/17/02/32/1210170232.db2.gz BIXXXSFFJODTHG-WWTUQBGBSA-N 2 1 365.478 0.437 10 0 FCAEMP CC(=O)N1CCN(C(=O)[C@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000871784944 1210170235 /nfs/dbraw/zinc/17/02/35/1210170235.db2.gz BIXXXSFFJODTHG-WWTUQBGBSA-N 2 1 365.478 0.437 10 0 FCAEMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197038 1210179045 /nfs/dbraw/zinc/17/90/45/1210179045.db2.gz VESSQITWKNGLIE-RIFZZMRRSA-N 2 1 358.486 0.773 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3nonc3C)CCOCC2)CC[N@@H+]1C ZINC001273975777 1210688538 /nfs/dbraw/zinc/68/85/38/1210688538.db2.gz XVDOCSGXAHYACR-GOEBONIOSA-N 2 1 365.478 0.863 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3nonc3C)CCOCC2)CC[N@H+]1C ZINC001273975777 1210688540 /nfs/dbraw/zinc/68/85/40/1210688540.db2.gz XVDOCSGXAHYACR-GOEBONIOSA-N 2 1 365.478 0.863 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925841730 1211508922 /nfs/dbraw/zinc/50/89/22/1211508922.db2.gz SLJQFPOEWKVFKA-XIRDDKMYSA-N 2 1 362.474 0.103 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000926291968 1211527589 /nfs/dbraw/zinc/52/75/89/1211527589.db2.gz QQHOZFLHRVZOBE-MJGOQNOKSA-N 2 1 372.513 0.817 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926347865 1211536680 /nfs/dbraw/zinc/53/66/80/1211536680.db2.gz KESFXKCMTKEOLW-YLJYHZDGSA-N 2 1 374.485 0.032 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926365032 1211539479 /nfs/dbraw/zinc/53/94/79/1211539479.db2.gz RTOFEJOEUMFQMS-DNVCBOLYSA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926365032 1211539486 /nfs/dbraw/zinc/53/94/86/1211539486.db2.gz RTOFEJOEUMFQMS-DNVCBOLYSA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CCC1(C)C ZINC000926390971 1211544647 /nfs/dbraw/zinc/54/46/47/1211544647.db2.gz NQKXGLIQRYGWBC-OAHLLOKOSA-N 2 1 366.506 0.286 10 0 FCAEMP CCO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000926842443 1211556810 /nfs/dbraw/zinc/55/68/10/1211556810.db2.gz SKVLVVTYGKJGBG-MSOLQXFVSA-N 2 1 369.554 0.763 10 0 FCAEMP CCO[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000926842443 1211556820 /nfs/dbraw/zinc/55/68/20/1211556820.db2.gz SKVLVVTYGKJGBG-MSOLQXFVSA-N 2 1 369.554 0.763 10 0 FCAEMP C[NH+](C)C[C@H]1NC(=O)N(c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1=O ZINC000927267794 1211568928 /nfs/dbraw/zinc/56/89/28/1211568928.db2.gz SQBNFMRAFUENKR-DLBZAZTESA-N 2 1 357.458 0.957 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927643881 1211578346 /nfs/dbraw/zinc/57/83/46/1211578346.db2.gz XGQMPCNHWVGCNF-GOSISDBHSA-N 2 1 368.522 0.728 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927643881 1211578348 /nfs/dbraw/zinc/57/83/48/1211578348.db2.gz XGQMPCNHWVGCNF-GOSISDBHSA-N 2 1 368.522 0.728 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 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CC1=C(C)CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001332001655 1266313355 /nfs/dbraw/zinc/31/33/55/1266313355.db2.gz VHLAUHMWMAHTMX-HDICACEKSA-N 2 1 360.502 0.982 10 0 FCAEMP CC1=C(C)CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001332001655 1266313367 /nfs/dbraw/zinc/31/33/67/1266313367.db2.gz VHLAUHMWMAHTMX-HDICACEKSA-N 2 1 360.502 0.982 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CC4CC4)nn3)CC[C@@H]2C1 ZINC001264652101 1260392623 /nfs/dbraw/zinc/39/26/23/1260392623.db2.gz TXIDPJVLUZRIIU-SJORKVTESA-N 2 1 360.506 0.920 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3cn(CC4CC4)nn3)CC[C@@H]2C1 ZINC001264652101 1260392625 /nfs/dbraw/zinc/39/26/25/1260392625.db2.gz TXIDPJVLUZRIIU-SJORKVTESA-N 2 1 360.506 0.920 10 0 FCAEMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266015978 1260421895 /nfs/dbraw/zinc/42/18/95/1260421895.db2.gz OZXCGKQGQVAURE-JQHSSLGASA-N 2 1 358.486 0.516 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(CO)cc2)CC[N@H+]1C ZINC001278762701 1260727403 /nfs/dbraw/zinc/72/74/03/1260727403.db2.gz ZOFKKQOEYDPMPY-CEXWTWQISA-N 2 1 363.502 0.818 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)COCC[NH+](C)C)CC2)CC[N@H+]1C ZINC001280889756 1261076258 /nfs/dbraw/zinc/07/62/58/1261076258.db2.gz LOWSAVSSEXHWTQ-NVXWUHKLSA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001281255951 1261098291 /nfs/dbraw/zinc/09/82/91/1261098291.db2.gz GFLWDKRHODFCKC-OWCLPIDISA-N 2 1 368.522 0.137 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001281665732 1261139655 /nfs/dbraw/zinc/13/96/55/1261139655.db2.gz PRFMSVAVQFYSDO-BRWVUGGUSA-N 2 1 368.522 0.281 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281857090 1261238125 /nfs/dbraw/zinc/23/81/25/1261238125.db2.gz KQGXITYUIKNAOZ-YYIAUSFCSA-N 2 1 368.522 0.399 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001281915316 1261283657 /nfs/dbraw/zinc/28/36/57/1261283657.db2.gz ZSLIYBVGQJCYEU-ZACQAIPSSA-N 2 1 368.522 0.279 10 0 FCAEMP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@H]21 ZINC001281968185 1261313153 /nfs/dbraw/zinc/31/31/53/1261313153.db2.gz VBFKNEOEGIHLEJ-ZMSDIMECSA-N 2 1 361.490 0.988 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@H]21 ZINC001281968185 1261313157 /nfs/dbraw/zinc/31/31/57/1261313157.db2.gz VBFKNEOEGIHLEJ-ZMSDIMECSA-N 2 1 361.490 0.988 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282178145 1261369420 /nfs/dbraw/zinc/36/94/20/1261369420.db2.gz CLYRTEYOPNNGGK-BRWVUGGUSA-N 2 1 368.522 0.401 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282178145 1261369426 /nfs/dbraw/zinc/36/94/26/1261369426.db2.gz CLYRTEYOPNNGGK-BRWVUGGUSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2)[NH+](C)C ZINC001522183888 1266405060 /nfs/dbraw/zinc/40/50/60/1266405060.db2.gz PLTRIVWEIINLMM-TWMKSMIVSA-N 2 1 366.506 0.297 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CC1 ZINC001282297192 1261406700 /nfs/dbraw/zinc/40/67/00/1261406700.db2.gz TYZMFGPVLQZMAJ-IKGGRYGDSA-N 2 1 362.518 0.587 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001282548907 1261522785 /nfs/dbraw/zinc/52/27/85/1261522785.db2.gz RLHGOTZRISTOMC-OIISXLGYSA-N 2 1 361.490 0.744 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001282548907 1261522791 /nfs/dbraw/zinc/52/27/91/1261522791.db2.gz RLHGOTZRISTOMC-OIISXLGYSA-N 2 1 361.490 0.744 10 0 FCAEMP Cc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cnn1-c1cc[nH+]cc1 ZINC001332494856 1266416815 /nfs/dbraw/zinc/41/68/15/1266416815.db2.gz WUHQVWDUTUNLJQ-CQSZACIVSA-N 2 1 356.430 0.768 10 0 FCAEMP CCNC(=O)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001282581812 1261540348 /nfs/dbraw/zinc/54/03/48/1261540348.db2.gz GVOBVIDRUZPZSJ-NVXWUHKLSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1O ZINC001289190205 1262145267 /nfs/dbraw/zinc/14/52/67/1262145267.db2.gz WXYWVARVFDHYAY-HZPDHXFCSA-N 2 1 368.522 0.281 10 0 FCAEMP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001289693731 1262311419 /nfs/dbraw/zinc/31/14/19/1262311419.db2.gz YEDMESRGGIRBEV-ZACQAIPSSA-N 2 1 368.522 0.281 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001291614362 1262567052 /nfs/dbraw/zinc/56/70/52/1262567052.db2.gz LZKQQEYECLIYMW-DJIMGWMZSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001291614362 1262567056 /nfs/dbraw/zinc/56/70/56/1262567056.db2.gz LZKQQEYECLIYMW-DJIMGWMZSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001293574806 1262719466 /nfs/dbraw/zinc/71/94/66/1262719466.db2.gz QISKEFIKEBNBKE-BFYDXBDKSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)CC[N@H+]1C ZINC001295347395 1262762849 /nfs/dbraw/zinc/76/28/49/1262762849.db2.gz HSDSPOSCFPFTSD-FIDHJVLJSA-N 2 1 362.518 0.632 10 0 FCAEMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)o2)CC1=O ZINC001298847383 1262945388 /nfs/dbraw/zinc/94/53/88/1262945388.db2.gz POXQZNGXFIKSIT-AWEZNQCLSA-N 2 1 366.462 0.250 10 0 FCAEMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)o2)CC1=O ZINC001298847383 1262945390 /nfs/dbraw/zinc/94/53/90/1262945390.db2.gz POXQZNGXFIKSIT-AWEZNQCLSA-N 2 1 366.462 0.250 10 0 FCAEMP COCC[N@H+](C)CCn1c(C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301720758 1263018172 /nfs/dbraw/zinc/01/81/72/1263018172.db2.gz COAMCNVWZSYDFS-WBVHZDCISA-N 2 1 366.510 0.322 10 0 FCAEMP COCC[N@@H+](C)CCn1c(C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001301720758 1263018180 /nfs/dbraw/zinc/01/81/80/1263018180.db2.gz COAMCNVWZSYDFS-WBVHZDCISA-N 2 1 366.510 0.322 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001479531167 1263239515 /nfs/dbraw/zinc/23/95/15/1263239515.db2.gz VCXYVBYIUYIYOM-IXDOHACOSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001479572824 1263259931 /nfs/dbraw/zinc/25/99/31/1263259931.db2.gz LVEDMUZYUSUBNX-CABCVRRESA-N 2 1 354.474 0.916 10 0 FCAEMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001479586605 1263264798 /nfs/dbraw/zinc/26/47/98/1263264798.db2.gz SMEGNEUIDXXPLT-KFWWJZLASA-N 2 1 351.499 0.828 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001479586605 1263264807 /nfs/dbraw/zinc/26/48/07/1263264807.db2.gz SMEGNEUIDXXPLT-KFWWJZLASA-N 2 1 351.499 0.828 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001479673426 1263339887 /nfs/dbraw/zinc/33/98/87/1263339887.db2.gz MTKWCXWDQXGVEV-IXDOHACOSA-N 2 1 360.506 0.888 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001479673426 1263339900 /nfs/dbraw/zinc/33/99/00/1263339900.db2.gz MTKWCXWDQXGVEV-IXDOHACOSA-N 2 1 360.506 0.888 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001479673426 1263339907 /nfs/dbraw/zinc/33/99/07/1263339907.db2.gz MTKWCXWDQXGVEV-IXDOHACOSA-N 2 1 360.506 0.888 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(C)C)CC[C@@H]3C2)C1 ZINC001479674564 1263340943 /nfs/dbraw/zinc/34/09/43/1263340943.db2.gz IJGUBBXIEAMXTE-IKGGRYGDSA-N 2 1 366.506 0.012 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(C)C)CC[C@@H]3C2)C1 ZINC001479674564 1263340953 /nfs/dbraw/zinc/34/09/53/1263340953.db2.gz IJGUBBXIEAMXTE-IKGGRYGDSA-N 2 1 366.506 0.012 10 0 FCAEMP 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C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001513227822 1264975588 /nfs/dbraw/zinc/97/55/88/1264975588.db2.gz NTVYDIJABNEDKZ-HZPDHXFCSA-N 2 1 366.506 0.156 10 0 FCAEMP CO[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001513400320 1265100184 /nfs/dbraw/zinc/10/01/84/1265100184.db2.gz JSTZWLMKFNIZKU-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001513913051 1265294235 /nfs/dbraw/zinc/29/42/35/1265294235.db2.gz UYCSSCOQAPJCIW-QBPKDAKJSA-N 2 1 350.507 0.726 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001513913051 1265294245 /nfs/dbraw/zinc/29/42/45/1265294245.db2.gz UYCSSCOQAPJCIW-QBPKDAKJSA-N 2 1 350.507 0.726 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001513913051 1265294253 /nfs/dbraw/zinc/29/42/53/1265294253.db2.gz UYCSSCOQAPJCIW-QBPKDAKJSA-N 2 1 350.507 0.726 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001514307436 1265337413 /nfs/dbraw/zinc/33/74/13/1265337413.db2.gz JVWFTAAIMWSEMQ-OAGGEKHMSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)([NH2+]Cc3cncn3C)C2)CC[N@H+]1C ZINC001327563693 1265359203 /nfs/dbraw/zinc/35/92/03/1265359203.db2.gz MVWNVFMNZUQPTR-SCTDSRPQSA-N 2 1 363.506 0.594 10 0 FCAEMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[C@@](CO)([NH2+]CC2CCOCC2)C1 ZINC001327568075 1265359937 /nfs/dbraw/zinc/35/99/37/1265359937.db2.gz BEYRNDBQIBFWPM-GPMSIDNRSA-N 2 1 362.474 0.883 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N2CCOCC2)C(C)(C)C)CC[N@H+]1C ZINC001332810539 1266482912 /nfs/dbraw/zinc/48/29/12/1266482912.db2.gz SLVVIDJRJGSJBI-BZUAXINKSA-N 2 1 368.522 0.306 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1 ZINC001522331005 1266494853 /nfs/dbraw/zinc/49/48/53/1266494853.db2.gz NYOCWADMHAHQEC-VQHPVUNQSA-N 2 1 362.518 0.918 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[N@@H+]1C ZINC001332892377 1266499411 /nfs/dbraw/zinc/49/94/11/1266499411.db2.gz HKWYSZAHZZIGTR-HZPDHXFCSA-N 2 1 366.506 0.141 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC[N@H+]1C ZINC001332892377 1266499417 /nfs/dbraw/zinc/49/94/17/1266499417.db2.gz HKWYSZAHZZIGTR-HZPDHXFCSA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC001522675557 1266574249 /nfs/dbraw/zinc/57/42/49/1266574249.db2.gz XTAJYGKETMXPSZ-DJIMGWMZSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC001522675557 1266574255 /nfs/dbraw/zinc/57/42/55/1266574255.db2.gz XTAJYGKETMXPSZ-DJIMGWMZSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC001522675557 1266574266 /nfs/dbraw/zinc/57/42/66/1266574266.db2.gz XTAJYGKETMXPSZ-DJIMGWMZSA-N 2 1 350.507 0.966 10 0 FCAEMP O=C1[C@H]([N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCN1C1CC1 ZINC001333621762 1266653945 /nfs/dbraw/zinc/65/39/45/1266653945.db2.gz GQGNAYUNJPKSQX-RHSMWYFYSA-N 2 1 358.490 0.762 10 0 FCAEMP C/C=C(/C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001524047286 1266678661 /nfs/dbraw/zinc/67/86/61/1266678661.db2.gz XKIWVCUHORLUGX-PACMQTEUSA-N 2 1 350.507 0.943 10 0 FCAEMP C/C=C(/C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001524047286 1266678668 /nfs/dbraw/zinc/67/86/68/1266678668.db2.gz XKIWVCUHORLUGX-PACMQTEUSA-N 2 1 350.507 0.943 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001334008946 1266776567 /nfs/dbraw/zinc/77/65/67/1266776567.db2.gz JLQRTZLRVCNSQB-ZJIFWQFVSA-N 2 1 368.547 0.671 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001334008946 1266776578 /nfs/dbraw/zinc/77/65/78/1266776578.db2.gz JLQRTZLRVCNSQB-ZJIFWQFVSA-N 2 1 368.547 0.671 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001334008944 1266777010 /nfs/dbraw/zinc/77/70/10/1266777010.db2.gz JLQRTZLRVCNSQB-JJXSEGSLSA-N 2 1 368.547 0.671 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001334008944 1266777012 /nfs/dbraw/zinc/77/70/12/1266777012.db2.gz JLQRTZLRVCNSQB-JJXSEGSLSA-N 2 1 368.547 0.671 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCCC2(CC2)C1 ZINC001334054064 1266796270 /nfs/dbraw/zinc/79/62/70/1266796270.db2.gz DGNQYLGKSPFNRN-CALCHBBNSA-N 2 1 360.502 0.816 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCCC2(CC2)C1 ZINC001334054064 1266796282 /nfs/dbraw/zinc/79/62/82/1266796282.db2.gz DGNQYLGKSPFNRN-CALCHBBNSA-N 2 1 360.502 0.816 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001334071114 1266808594 /nfs/dbraw/zinc/80/85/94/1266808594.db2.gz IEXWMEDIWCFYJD-YESZJQIVSA-N 2 1 366.506 0.033 10 0 FCAEMP C[NH+](C)[C@@]1(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)COc2ccccc2C1 ZINC001528620609 1266984452 /nfs/dbraw/zinc/98/44/52/1266984452.db2.gz ULFBMGZDJXOWIX-WIYYLYMNSA-N 2 1 373.497 0.980 10 0 FCAEMP C[NH+](C)[C@@]1(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)COc2ccccc2C1 ZINC001528620609 1266984455 /nfs/dbraw/zinc/98/44/55/1266984455.db2.gz ULFBMGZDJXOWIX-WIYYLYMNSA-N 2 1 373.497 0.980 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001530190613 1267100405 /nfs/dbraw/zinc/10/04/05/1267100405.db2.gz QFKLETPZGSJYPN-IXDOHACOSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001341134543 1268798479 /nfs/dbraw/zinc/79/84/79/1268798479.db2.gz JIJWXQLUTFPLGV-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001341134543 1268798482 /nfs/dbraw/zinc/79/84/82/1268798482.db2.gz JIJWXQLUTFPLGV-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001341134543 1268798485 /nfs/dbraw/zinc/79/84/85/1268798485.db2.gz JIJWXQLUTFPLGV-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(CO)(CO)C3)CC2)CC1 ZINC001557687944 1268963417 /nfs/dbraw/zinc/96/34/17/1268963417.db2.gz IWRQTIDCMWCDKN-UHFFFAOYSA-N 2 1 353.507 0.386 10 0 FCAEMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558548575 1269109145 /nfs/dbraw/zinc/10/91/45/1269109145.db2.gz DRDBKYCPRJAFSH-LPHOPBHVSA-N 2 1 359.470 0.774 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001565917723 1269515961 /nfs/dbraw/zinc/51/59/61/1269515961.db2.gz AVMXOBJGWZWVOT-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001565917723 1269515966 /nfs/dbraw/zinc/51/59/66/1269515966.db2.gz AVMXOBJGWZWVOT-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]C[C@H](O)COC ZINC001565951508 1269529672 /nfs/dbraw/zinc/52/96/72/1269529672.db2.gz LLOZFDLATIXMEK-IECFSIQFSA-N 2 1 371.522 0.177 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)N(CC)CC ZINC001566025872 1269563286 /nfs/dbraw/zinc/56/32/86/1269563286.db2.gz YIIHSPCBEXWJPB-JKSUJKDBSA-N 2 1 350.507 0.920 10 0 FCAEMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566054214 1269587556 /nfs/dbraw/zinc/58/75/56/1269587556.db2.gz RGEPLXXXLKOSFQ-PMPSAXMXSA-N 2 1 357.520 0.153 10 0 FCAEMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566054214 1269587564 /nfs/dbraw/zinc/58/75/64/1269587564.db2.gz RGEPLXXXLKOSFQ-PMPSAXMXSA-N 2 1 357.520 0.153 10 0 FCAEMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566054214 1269587567 /nfs/dbraw/zinc/58/75/67/1269587567.db2.gz RGEPLXXXLKOSFQ-PMPSAXMXSA-N 2 1 357.520 0.153 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[N@H+]1C ZINC001566972000 1269671876 /nfs/dbraw/zinc/67/18/76/1269671876.db2.gz DIPVOUWVHQMFRT-LOXVXLSQSA-N 2 1 365.518 0.959 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[NH+]1C ZINC001566972000 1269671882 /nfs/dbraw/zinc/67/18/82/1269671882.db2.gz DIPVOUWVHQMFRT-LOXVXLSQSA-N 2 1 365.518 0.959 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC[C@@H]4CCCO4)C[C@H]32)CC[NH+]1C ZINC001566972000 1269671887 /nfs/dbraw/zinc/67/18/87/1269671887.db2.gz DIPVOUWVHQMFRT-LOXVXLSQSA-N 2 1 365.518 0.959 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001567016803 1269674828 /nfs/dbraw/zinc/67/48/28/1269674828.db2.gz NNKUPXDKAKRMNI-IJLUTSLNSA-N 2 1 352.401 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001568851318 1269751176 /nfs/dbraw/zinc/75/11/76/1269751176.db2.gz BNDIZHJYTVSTLR-XPQDNOAISA-N 2 1 366.506 0.274 10 0 FCAEMP CC[C@@H]([NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001569887030 1269813881 /nfs/dbraw/zinc/81/38/81/1269813881.db2.gz XNUOLSSQCQPULW-GVDBMIGSSA-N 2 1 367.538 0.151 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1C ZINC001569933858 1269821033 /nfs/dbraw/zinc/82/10/33/1269821033.db2.gz JERKHSXFXSUXGX-OAGGEKHMSA-N 2 1 368.522 0.137 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC001570414195 1269881118 /nfs/dbraw/zinc/88/11/18/1269881118.db2.gz NJGGICMBDBNZGI-LSDHHAIUSA-N 2 1 364.494 0.287 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC001570414195 1269881128 /nfs/dbraw/zinc/88/11/28/1269881128.db2.gz NJGGICMBDBNZGI-LSDHHAIUSA-N 2 1 364.494 0.287 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001343370726 1269881232 /nfs/dbraw/zinc/88/12/32/1269881232.db2.gz FSKYIVIRJFZDIH-IKGGRYGDSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001343370726 1269881238 /nfs/dbraw/zinc/88/12/38/1269881238.db2.gz FSKYIVIRJFZDIH-IKGGRYGDSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001343370726 1269881246 /nfs/dbraw/zinc/88/12/46/1269881246.db2.gz FSKYIVIRJFZDIH-IKGGRYGDSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1O ZINC001343398583 1269895528 /nfs/dbraw/zinc/89/55/28/1269895528.db2.gz NTEPDDMBMXEZSV-CABCVRRESA-N 2 1 365.478 0.036 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001572173841 1270000552 /nfs/dbraw/zinc/00/05/52/1270000552.db2.gz BDFRUHWJKUKPQK-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001572173841 1270000564 /nfs/dbraw/zinc/00/05/64/1270000564.db2.gz BDFRUHWJKUKPQK-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCCNC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001572173841 1270000576 /nfs/dbraw/zinc/00/05/76/1270000576.db2.gz BDFRUHWJKUKPQK-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001572651228 1270100401 /nfs/dbraw/zinc/10/04/01/1270100401.db2.gz BFTDWLXVSVFJGD-HZPDHXFCSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001572651228 1270100408 /nfs/dbraw/zinc/10/04/08/1270100408.db2.gz BFTDWLXVSVFJGD-HZPDHXFCSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001572651228 1270100412 /nfs/dbraw/zinc/10/04/12/1270100412.db2.gz BFTDWLXVSVFJGD-HZPDHXFCSA-N 2 1 350.507 0.728 10 0 FCAEMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1O ZINC001572806151 1270169943 /nfs/dbraw/zinc/16/99/43/1270169943.db2.gz WCWHCNFUFNYSHJ-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1OC ZINC001572951132 1270392908 /nfs/dbraw/zinc/39/29/08/1270392908.db2.gz PLHMMHMEXQVHGM-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001573216712 1270684536 /nfs/dbraw/zinc/68/45/36/1270684536.db2.gz FUCSUJTUORKPBD-BRWVUGGUSA-N 2 1 366.506 0.156 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@@H]1C ZINC001573492806 1270793059 /nfs/dbraw/zinc/79/30/59/1270793059.db2.gz FMJWWRFZBGQWIQ-IXDOHACOSA-N 2 1 368.522 0.543 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001574017271 1270996466 /nfs/dbraw/zinc/99/64/66/1270996466.db2.gz KNDNWHGFPTUMRZ-DJIMGWMZSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001574017271 1270996471 /nfs/dbraw/zinc/99/64/71/1270996471.db2.gz KNDNWHGFPTUMRZ-DJIMGWMZSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3cncn3C)CC2)CC[N@H+]1C ZINC001713068502 1287261531 /nfs/dbraw/zinc/26/15/31/1287261531.db2.gz YIKFDXRSHOKLTN-SJLPKXTDSA-N 2 1 362.522 0.384 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001713311641 1287272110 /nfs/dbraw/zinc/27/21/10/1287272110.db2.gz UQORGGDWWQRQOH-HZSPNIEDSA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001713310700 1287272839 /nfs/dbraw/zinc/27/28/39/1287272839.db2.gz AAISXMQTAVKRJD-QLFBSQMISA-N 2 1 365.526 0.795 10 0 FCAEMP CC(C)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713907332 1287305894 /nfs/dbraw/zinc/30/58/94/1287305894.db2.gz WAWNMZJWEMVEPQ-WCXIOVBPSA-N 2 1 365.522 0.709 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccc(O)cc3)C2)CC[N@H+]1C ZINC001713987034 1287308705 /nfs/dbraw/zinc/30/87/05/1287308705.db2.gz AONVVBFCEKCECS-JJAZEVLHSA-N 2 1 360.458 0.908 10 0 FCAEMP COCCCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714067392 1287311343 /nfs/dbraw/zinc/31/13/43/1287311343.db2.gz PLAJDOGSRJOGDQ-IXDOHACOSA-N 2 1 368.522 0.308 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1CC(F)F ZINC001714073859 1287312257 /nfs/dbraw/zinc/31/22/57/1287312257.db2.gz NJEMXUJPQIXSIR-FRRDWIJNSA-N 2 1 358.437 0.868 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1CC(F)F ZINC001714073859 1287312261 /nfs/dbraw/zinc/31/22/61/1287312261.db2.gz NJEMXUJPQIXSIR-FRRDWIJNSA-N 2 1 358.437 0.868 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001714234106 1287317008 /nfs/dbraw/zinc/31/70/08/1287317008.db2.gz GIQSPIBPBFCKGD-MELADBBJSA-N 2 1 351.499 0.753 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001714234106 1287317011 /nfs/dbraw/zinc/31/70/11/1287317011.db2.gz GIQSPIBPBFCKGD-MELADBBJSA-N 2 1 351.499 0.753 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001714236366 1287317130 /nfs/dbraw/zinc/31/71/30/1287317130.db2.gz YMRBETPBVDSSDL-FRRDWIJNSA-N 2 1 353.492 0.906 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CCS(C)(=O)=O)CCCC2)CC[N@H+]1C ZINC001715094637 1287344328 /nfs/dbraw/zinc/34/43/28/1287344328.db2.gz IUWMTLXUCPMVSW-LSDHHAIUSA-N 2 1 359.536 0.780 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001715820001 1287361600 /nfs/dbraw/zinc/36/16/00/1287361600.db2.gz PWNYJGOTMFAJLJ-XQJUWPJRSA-N 2 1 362.474 0.840 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001715820112 1287361870 /nfs/dbraw/zinc/36/18/70/1287361870.db2.gz RJVCIYIBOCJFDZ-JOGGYFKDSA-N 2 1 350.507 0.991 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001715929667 1287365100 /nfs/dbraw/zinc/36/51/00/1287365100.db2.gz JQGCQFHIYBEDGL-GRYCIOLGSA-N 2 1 352.401 0.490 10 0 FCAEMP Cc1ccc(CN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001715930682 1287365197 /nfs/dbraw/zinc/36/51/97/1287365197.db2.gz YVIDDHWNZOHTBO-FRFSOERESA-N 2 1 364.490 0.981 10 0 FCAEMP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715949799 1287366271 /nfs/dbraw/zinc/36/62/71/1287366271.db2.gz ZYDABQQDMRBUSF-NXHRZFHOSA-N 2 1 360.502 0.951 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001716218089 1287374287 /nfs/dbraw/zinc/37/42/87/1287374287.db2.gz SIJNDIDOIMNTKK-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H](C[NH2+]CCCNC(=O)C(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716437592 1287378784 /nfs/dbraw/zinc/37/87/84/1287378784.db2.gz PVSRBOGFTDARPB-QJPTWQEYSA-N 2 1 352.401 0.490 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001716795315 1287389970 /nfs/dbraw/zinc/38/99/70/1287389970.db2.gz MAPRPBZODBPKMW-HZPDHXFCSA-N 2 1 368.522 0.450 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716795315 1287389971 /nfs/dbraw/zinc/38/99/71/1287389971.db2.gz MAPRPBZODBPKMW-HZPDHXFCSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001717195077 1287411709 /nfs/dbraw/zinc/41/17/09/1287411709.db2.gz CHGVUEQYTXNGOU-DJIMGWMZSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001717195077 1287411717 /nfs/dbraw/zinc/41/17/17/1287411717.db2.gz CHGVUEQYTXNGOU-DJIMGWMZSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001717195077 1287411723 /nfs/dbraw/zinc/41/17/23/1287411723.db2.gz CHGVUEQYTXNGOU-DJIMGWMZSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH2+]Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001717237249 1287413604 /nfs/dbraw/zinc/41/36/04/1287413604.db2.gz BXKVCRXKBHVQMJ-LSDHHAIUSA-N 2 1 363.510 0.801 10 0 FCAEMP CCc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)o1 ZINC001717767262 1287435240 /nfs/dbraw/zinc/43/52/40/1287435240.db2.gz VQDIDNYZHADBOW-QLFBSQMISA-N 2 1 352.479 0.842 10 0 FCAEMP CCc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)o1 ZINC001717767262 1287435245 /nfs/dbraw/zinc/43/52/45/1287435245.db2.gz VQDIDNYZHADBOW-QLFBSQMISA-N 2 1 352.479 0.842 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C2CC2)C(C)(C)C)CC[N@@H+]1C ZINC001717959347 1287451103 /nfs/dbraw/zinc/45/11/03/1287451103.db2.gz NCGZKNKZACUAOI-YUELXQCFSA-N 2 1 363.510 0.969 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C2CC2)C(C)(C)C)CC[N@H+]1C ZINC001717959347 1287451106 /nfs/dbraw/zinc/45/11/06/1287451106.db2.gz NCGZKNKZACUAOI-YUELXQCFSA-N 2 1 363.510 0.969 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001717992012 1287452720 /nfs/dbraw/zinc/45/27/20/1287452720.db2.gz SSFCICHTPKVMED-RDHHWEPZSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C ZINC001718639256 1287546453 /nfs/dbraw/zinc/54/64/53/1287546453.db2.gz UUNQBFXANKWLCV-YESZJQIVSA-N 2 1 368.522 0.042 10 0 FCAEMP CN(CC[N@@H+](C)CCO)C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001585901732 1282254002 /nfs/dbraw/zinc/25/40/02/1282254002.db2.gz XRCKXBGXEMNKFQ-AWEZNQCLSA-N 2 1 360.499 0.214 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cn1 ZINC001636368961 1282493519 /nfs/dbraw/zinc/49/35/19/1282493519.db2.gz UAZXTGVUSUDSOX-RTBURBONSA-N 2 1 374.533 0.161 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cn1 ZINC001636368961 1282493523 /nfs/dbraw/zinc/49/35/23/1282493523.db2.gz UAZXTGVUSUDSOX-RTBURBONSA-N 2 1 374.533 0.161 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cn1 ZINC001636368961 1282493528 /nfs/dbraw/zinc/49/35/28/1282493528.db2.gz UAZXTGVUSUDSOX-RTBURBONSA-N 2 1 374.533 0.161 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001719058538 1287633829 /nfs/dbraw/zinc/63/38/29/1287633829.db2.gz BPDDPWKHYRVWMF-DLBZAZTESA-N 2 1 361.490 0.983 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001680891110 1283460085 /nfs/dbraw/zinc/46/00/85/1283460085.db2.gz DKHSGITUGFBALB-IXDOHACOSA-N 2 1 368.522 0.090 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]21 ZINC001702413011 1285653680 /nfs/dbraw/zinc/65/36/80/1285653680.db2.gz BNTHQWKFDOFBNL-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001702413011 1285653691 /nfs/dbraw/zinc/65/36/91/1285653691.db2.gz BNTHQWKFDOFBNL-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001702413011 1285653702 /nfs/dbraw/zinc/65/37/02/1285653702.db2.gz BNTHQWKFDOFBNL-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NC[C@H]2CCOC2)CC[NH+]1C ZINC001733773062 1288627329 /nfs/dbraw/zinc/62/73/29/1288627329.db2.gz SAGLMBUDUJVRFQ-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NC[C@H]2CCOC2)CC[NH+]1C ZINC001733773062 1288627332 /nfs/dbraw/zinc/62/73/32/1288627332.db2.gz SAGLMBUDUJVRFQ-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1)C(N)=O ZINC001733830805 1288632614 /nfs/dbraw/zinc/63/26/14/1288632614.db2.gz ZADCKGUQSGGGIH-SOUVJXGZSA-N 2 1 354.495 0.236 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+][C@H](C)C(=O)NC)CCOCC2)CC[N@H+]1C ZINC001733830845 1288632773 /nfs/dbraw/zinc/63/27/73/1288632773.db2.gz ZQZHLJWIGVEPGA-QLFBSQMISA-N 2 1 354.495 0.106 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001733929754 1288636293 /nfs/dbraw/zinc/63/62/93/1288636293.db2.gz JTDUNVKHSIPMJO-OWCLPIDISA-N 2 1 364.490 0.398 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001733929754 1288636299 /nfs/dbraw/zinc/63/62/99/1288636299.db2.gz JTDUNVKHSIPMJO-OWCLPIDISA-N 2 1 364.490 0.398 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001733929754 1288636305 /nfs/dbraw/zinc/63/63/05/1288636305.db2.gz JTDUNVKHSIPMJO-OWCLPIDISA-N 2 1 364.490 0.398 10 0 FCAEMP C[C@H](CCC[NH2+]Cc1nc(N(C)C)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734239008 1288645910 /nfs/dbraw/zinc/64/59/10/1288645910.db2.gz ZLWDBZXTIPETGS-MGPQQGTHSA-N 2 1 352.483 0.850 10 0 FCAEMP C[C@H](CCC[NH2+]Cc1nc(N(C)C)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734239008 1288645916 /nfs/dbraw/zinc/64/59/16/1288645916.db2.gz ZLWDBZXTIPETGS-MGPQQGTHSA-N 2 1 352.483 0.850 10 0 FCAEMP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C[C@H]1C ZINC001736376409 1289294198 /nfs/dbraw/zinc/29/41/98/1289294198.db2.gz ITNKCLFHCXVWCE-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C[C@H]1C ZINC001736376409 1289294201 /nfs/dbraw/zinc/29/42/01/1289294201.db2.gz ITNKCLFHCXVWCE-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001736376409 1289294203 /nfs/dbraw/zinc/29/42/03/1289294203.db2.gz ITNKCLFHCXVWCE-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001736376409 1289294207 /nfs/dbraw/zinc/29/42/07/1289294207.db2.gz ITNKCLFHCXVWCE-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C(C)C)C1 ZINC001736551995 1289434435 /nfs/dbraw/zinc/43/44/35/1289434435.db2.gz HMWQXWLYLGNSLA-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C(C)C)C1 ZINC001736551995 1289434440 /nfs/dbraw/zinc/43/44/40/1289434440.db2.gz HMWQXWLYLGNSLA-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+](C)C(C)C)C1 ZINC001736551995 1289434445 /nfs/dbraw/zinc/43/44/45/1289434445.db2.gz HMWQXWLYLGNSLA-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C(C)C)C1 ZINC001736551995 1289434450 /nfs/dbraw/zinc/43/44/50/1289434450.db2.gz HMWQXWLYLGNSLA-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001736617249 1289481399 /nfs/dbraw/zinc/48/13/99/1289481399.db2.gz NNCMDEKTLLNIDC-CHWSQXEVSA-N 2 1 366.428 0.785 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)CC[N@H+]1C ZINC001737387577 1289540178 /nfs/dbraw/zinc/54/01/78/1289540178.db2.gz DQGGWDQEFOMNAQ-YESZJQIVSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cscn3)C2)CC[N@@H+]1C ZINC001700234469 1289588235 /nfs/dbraw/zinc/58/82/35/1289588235.db2.gz XXOFLMGOLHRZCL-FRFSOERESA-N 2 1 352.504 0.926 10 0 FCAEMP 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ZINC000284911224 213247133 /nfs/dbraw/zinc/24/71/33/213247133.db2.gz BDUGNCWTOGPYMT-QGTPRVQTSA-N 2 1 373.505 0.956 10 0 FCAEMP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000931133957 674095424 /nfs/dbraw/zinc/09/54/24/674095424.db2.gz WGTZVOCPJZVLQU-MZMPVIPJSA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCC[NH+]2CCCC2)C1 ZINC000366882712 216046775 /nfs/dbraw/zinc/04/67/75/216046775.db2.gz LXYFRBZKEOAICN-GOSISDBHSA-N 2 1 354.539 0.877 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367620033 216143152 /nfs/dbraw/zinc/14/31/52/216143152.db2.gz PWRJEHABZYRQTC-BZSNNMDCSA-N 2 1 372.517 0.978 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000367850665 216171041 /nfs/dbraw/zinc/17/10/41/216171041.db2.gz RNPUDXIEYDACKL-IEBWSBKVSA-N 2 1 352.523 0.487 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000367850665 216171043 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IXEFPLQVXFAGKT-QGZVFWFLSA-N 2 1 360.458 0.534 10 0 FCAEMP Cc1ccn(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=O)c1 ZINC000194955104 209329647 /nfs/dbraw/zinc/32/96/47/209329647.db2.gz PPAJDCDMZSFWEQ-JWTNVVGKSA-N 2 1 358.486 0.926 10 0 FCAEMP CC[C@]1(O)CCC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475691 674116851 /nfs/dbraw/zinc/11/68/51/674116851.db2.gz LSPZNBPNLZLBDV-WDSOQIARSA-N 2 1 355.523 0.965 10 0 FCAEMP CC[C@]1(O)CCC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475691 674116853 /nfs/dbraw/zinc/11/68/53/674116853.db2.gz LSPZNBPNLZLBDV-WDSOQIARSA-N 2 1 355.523 0.965 10 0 FCAEMP CC[C@]1(O)CCC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475691 674116856 /nfs/dbraw/zinc/11/68/56/674116856.db2.gz LSPZNBPNLZLBDV-WDSOQIARSA-N 2 1 355.523 0.965 10 0 FCAEMP CC[C@]1(O)CCC[NH+](CC(=O)NC[C@H](C)[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000931475691 674116858 /nfs/dbraw/zinc/11/68/58/674116858.db2.gz LSPZNBPNLZLBDV-WDSOQIARSA-N 2 1 355.523 0.965 10 0 FCAEMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415163773 245351708 /nfs/dbraw/zinc/35/17/08/245351708.db2.gz OWFUBVMKWJWIRN-ZDUSSCGKSA-N 2 1 360.458 0.532 10 0 FCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415163773 245351715 /nfs/dbraw/zinc/35/17/15/245351715.db2.gz OWFUBVMKWJWIRN-ZDUSSCGKSA-N 2 1 360.458 0.532 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000414950256 245338729 /nfs/dbraw/zinc/33/87/29/245338729.db2.gz OFEMACJRPXOBJQ-MRXNPFEDSA-N 2 1 374.485 0.915 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(C)(C)O)C1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000931622602 674123422 /nfs/dbraw/zinc/12/34/22/674123422.db2.gz PUUASKLNKLJMMJ-PMPSAXMXSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(C)(C)O)C1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000931622602 674123424 /nfs/dbraw/zinc/12/34/24/674123424.db2.gz PUUASKLNKLJMMJ-PMPSAXMXSA-N 2 1 355.523 0.677 10 0 FCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000181790948 209121460 /nfs/dbraw/zinc/12/14/60/209121460.db2.gz PNHVYNCFWXADAE-FUHWJXTLSA-N 2 1 368.522 0.585 10 0 FCAEMP COC(=O)[C@]12C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C[C@H]1COCC2 ZINC000375960919 217338006 /nfs/dbraw/zinc/33/80/06/217338006.db2.gz KLJROQVXTLLZCA-PKOBYXMFSA-N 2 1 353.507 0.914 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)CCC(F)(F)F ZINC000419208322 246055259 /nfs/dbraw/zinc/05/52/59/246055259.db2.gz OFNJOFASGZHHCK-GFCCVEGCSA-N 2 1 352.401 0.635 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)CCC(F)(F)F ZINC000419208322 246055265 /nfs/dbraw/zinc/05/52/65/246055265.db2.gz OFNJOFASGZHHCK-GFCCVEGCSA-N 2 1 352.401 0.635 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419335270 246104086 /nfs/dbraw/zinc/10/40/86/246104086.db2.gz JVEBFJDPRWMIQW-LMMKCTJWSA-N 2 1 362.518 0.792 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419413256 246147057 /nfs/dbraw/zinc/14/70/57/246147057.db2.gz DKEKWEJOPFRUHY-QAPCUYQASA-N 2 1 358.486 0.665 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000419410016 246143742 /nfs/dbraw/zinc/14/37/42/246143742.db2.gz NWWWSJFBMPYVBX-MRXNPFEDSA-N 2 1 361.490 0.526 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000419499942 246184402 /nfs/dbraw/zinc/18/44/02/246184402.db2.gz YWMORDISKLDIIH-HZPDHXFCSA-N 2 1 355.527 0.109 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000419522413 246189769 /nfs/dbraw/zinc/18/97/69/246189769.db2.gz MFVMNAYDNTWTAG-UHFFFAOYSA-N 2 1 362.518 0.857 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419531500 246193023 /nfs/dbraw/zinc/19/30/23/246193023.db2.gz KXVUWYZQEZBPMM-FZCLSBEQSA-N 2 1 358.486 0.737 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419473303 246177246 /nfs/dbraw/zinc/17/72/46/246177246.db2.gz AEFWOWVQAVAUGW-TWMKSMIVSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419483053 246178969 /nfs/dbraw/zinc/17/89/69/246178969.db2.gz RFXUTYNMPOLGNU-YYIAUSFCSA-N 2 1 352.523 0.975 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419535529 246194994 /nfs/dbraw/zinc/19/49/94/246194994.db2.gz LHNPCCATBQDEED-KRWDZBQOSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000419540081 246197817 /nfs/dbraw/zinc/19/78/17/246197817.db2.gz ZHIYLYBOCZMECU-MAUKXSAKSA-N 2 1 358.486 0.834 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419830937 246310749 /nfs/dbraw/zinc/31/07/49/246310749.db2.gz QXGVOMLWLYKCQS-IRXDYDNUSA-N 2 1 359.474 0.421 10 0 FCAEMP CN(C(=O)C(=O)NCCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419841211 246315138 /nfs/dbraw/zinc/31/51/38/246315138.db2.gz FNOAUZSGJIICGG-SFHVURJKSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419916896 246369572 /nfs/dbraw/zinc/36/95/72/246369572.db2.gz FJEUIWGDBWHXNA-MAUKXSAKSA-N 2 1 374.485 0.514 10 0 FCAEMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000419975700 246397333 /nfs/dbraw/zinc/39/73/33/246397333.db2.gz LORBSDCXLCWVGY-INIZCTEOSA-N 2 1 367.538 0.152 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548474 247048225 /nfs/dbraw/zinc/04/82/25/247048225.db2.gz DFABBUOBRJUHHW-TXDAXLQXSA-N 2 1 362.518 0.905 10 0 FCAEMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423634440 247086458 /nfs/dbraw/zinc/08/64/58/247086458.db2.gz NATWATXZVUGSAN-IYBDPMFKSA-N 2 1 362.474 0.913 10 0 FCAEMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424552319 247261570 /nfs/dbraw/zinc/26/15/70/247261570.db2.gz XMSIFTUHWZHJMN-IPMKNSEASA-N 2 1 370.497 0.978 10 0 FCAEMP C[N@H+]1CCN(CCNC(=O)NCCCC[NH+]2CCOCC2)CC1(C)C ZINC000440992710 248231213 /nfs/dbraw/zinc/23/12/13/248231213.db2.gz ZVABNPXJOFAPHQ-UHFFFAOYSA-N 2 1 355.527 0.424 10 0 FCAEMP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452791928 249331993 /nfs/dbraw/zinc/33/19/93/249331993.db2.gz FNVPITGUQJYEIX-KRWDZBQOSA-N 2 1 353.507 0.985 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000469901456 250011910 /nfs/dbraw/zinc/01/19/10/250011910.db2.gz ZPGKDNDTGRDTHE-ROUUACIJSA-N 2 1 354.539 0.877 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000471207022 250092362 /nfs/dbraw/zinc/09/23/62/250092362.db2.gz HYTABDVMCNIZNB-ROUUACIJSA-N 2 1 354.539 0.731 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000471207022 250092364 /nfs/dbraw/zinc/09/23/64/250092364.db2.gz HYTABDVMCNIZNB-ROUUACIJSA-N 2 1 354.539 0.731 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000471207022 250092367 /nfs/dbraw/zinc/09/23/67/250092367.db2.gz HYTABDVMCNIZNB-ROUUACIJSA-N 2 1 354.539 0.731 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000471637302 250110691 /nfs/dbraw/zinc/11/06/91/250110691.db2.gz VUQCEHVWKYZHEV-KRWDZBQOSA-N 2 1 355.527 0.376 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000471663559 250113901 /nfs/dbraw/zinc/11/39/01/250113901.db2.gz QOIHZHNWWCVRFH-JWTNVVGKSA-N 2 1 367.538 0.517 10 0 FCAEMP CC1=CC[NH+](CCNC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481258809 250326844 /nfs/dbraw/zinc/32/68/44/250326844.db2.gz VXUZENRPTSRICG-IRXDYDNUSA-N 2 1 350.507 0.991 10 0 FCAEMP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000481258809 250326846 /nfs/dbraw/zinc/32/68/46/250326846.db2.gz VXUZENRPTSRICG-IRXDYDNUSA-N 2 1 350.507 0.991 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000481258809 250326848 /nfs/dbraw/zinc/32/68/48/250326848.db2.gz VXUZENRPTSRICG-IRXDYDNUSA-N 2 1 350.507 0.991 10 0 FCAEMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000481743661 250353132 /nfs/dbraw/zinc/35/31/32/250353132.db2.gz QFJVXPJTLSECLG-IRXDYDNUSA-N 2 1 367.490 0.772 10 0 FCAEMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000481743661 250353135 /nfs/dbraw/zinc/35/31/35/250353135.db2.gz QFJVXPJTLSECLG-IRXDYDNUSA-N 2 1 367.490 0.772 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000074616850 208057033 /nfs/dbraw/zinc/05/70/33/208057033.db2.gz LROPUSQESUSXRW-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074616850 208057039 /nfs/dbraw/zinc/05/70/39/208057039.db2.gz LROPUSQESUSXRW-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074616850 208057046 /nfs/dbraw/zinc/05/70/46/208057046.db2.gz LROPUSQESUSXRW-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC1=O ZINC000105319264 208196087 /nfs/dbraw/zinc/19/60/87/208196087.db2.gz MYPDXKDHAHJVGH-NVXWUHKLSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000180124795 209091083 /nfs/dbraw/zinc/09/10/83/209091083.db2.gz ACFYTKFJWPOGNS-LMMKCTJWSA-N 2 1 358.486 0.958 10 0 FCAEMP C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000178762486 209059801 /nfs/dbraw/zinc/05/98/01/209059801.db2.gz QOEZIXCKRLKNJE-UHFFFAOYSA-N 2 1 368.503 0.951 10 0 FCAEMP C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000178762486 209059804 /nfs/dbraw/zinc/05/98/04/209059804.db2.gz QOEZIXCKRLKNJE-UHFFFAOYSA-N 2 1 368.503 0.951 10 0 FCAEMP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC[N@@H+](C)C1 ZINC000413250041 533480281 /nfs/dbraw/zinc/48/02/81/533480281.db2.gz QIIRRLDTBALPHT-XHSDSOJGSA-N 2 1 354.495 0.996 10 0 FCAEMP COC(=O)[C@@H]1CN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+](C)C1 ZINC000413250041 533480287 /nfs/dbraw/zinc/48/02/87/533480287.db2.gz QIIRRLDTBALPHT-XHSDSOJGSA-N 2 1 354.495 0.996 10 0 FCAEMP COC(=O)[C@@H]1CN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+](C)C1 ZINC000413250041 533480289 /nfs/dbraw/zinc/48/02/89/533480289.db2.gz QIIRRLDTBALPHT-XHSDSOJGSA-N 2 1 354.495 0.996 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188680642 229249189 /nfs/dbraw/zinc/24/91/89/229249189.db2.gz UFVVYYDTWZVHTO-CVEARBPZSA-N 2 1 356.511 0.584 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188680642 229249194 /nfs/dbraw/zinc/24/91/94/229249194.db2.gz UFVVYYDTWZVHTO-CVEARBPZSA-N 2 1 356.511 0.584 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000562794806 491189625 /nfs/dbraw/zinc/18/96/25/491189625.db2.gz PZBKWTPZPDJLBS-IYBDPMFKSA-N 2 1 351.495 0.513 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2)CC1 ZINC000364211890 488935852 /nfs/dbraw/zinc/93/58/52/488935852.db2.gz JWGSABAYKIVQOC-YLJYHZDGSA-N 2 1 356.470 0.941 10 0 FCAEMP Cc1c([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000193137927 488426339 /nfs/dbraw/zinc/42/63/39/488426339.db2.gz PKUBGXJRSGCKPC-GDBMZVCRSA-N 2 1 351.495 0.852 10 0 FCAEMP C[NH+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)n1 ZINC000194704077 488433761 /nfs/dbraw/zinc/43/37/61/488433761.db2.gz AOLODKUJEQVPAD-GASCZTMLSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)n1 ZINC000194704077 488433763 /nfs/dbraw/zinc/43/37/63/488433763.db2.gz AOLODKUJEQVPAD-GASCZTMLSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)n1 ZINC000194704077 488433766 /nfs/dbraw/zinc/43/37/66/488433766.db2.gz AOLODKUJEQVPAD-GASCZTMLSA-N 2 1 359.474 0.730 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000194940636 488435283 /nfs/dbraw/zinc/43/52/83/488435283.db2.gz BVRXXUBJOQCJJH-UHFFFAOYSA-N 2 1 353.511 0.572 10 0 FCAEMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000245703264 488465544 /nfs/dbraw/zinc/46/55/44/488465544.db2.gz RHMPFQSEQHTPLP-VQHPVUNQSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000245703264 488465545 /nfs/dbraw/zinc/46/55/45/488465545.db2.gz RHMPFQSEQHTPLP-VQHPVUNQSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000245703264 488465547 /nfs/dbraw/zinc/46/55/47/488465547.db2.gz RHMPFQSEQHTPLP-VQHPVUNQSA-N 2 1 350.507 0.824 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000246875772 488477528 /nfs/dbraw/zinc/47/75/28/488477528.db2.gz FRTFIBMSEIOQCF-KZCXMXTOSA-N 2 1 353.507 0.552 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000246875772 488477531 /nfs/dbraw/zinc/47/75/31/488477531.db2.gz FRTFIBMSEIOQCF-KZCXMXTOSA-N 2 1 353.507 0.552 10 0 FCAEMP 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ZINC000668537290 493372859 /nfs/dbraw/zinc/37/28/59/493372859.db2.gz DYBFRJUEPBYOAF-INIZCTEOSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000668544853 493373652 /nfs/dbraw/zinc/37/36/52/493373652.db2.gz LKADDSZOFQUSBW-BRWVUGGUSA-N 2 1 366.506 0.299 10 0 FCAEMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660710249 493374907 /nfs/dbraw/zinc/37/49/07/493374907.db2.gz LAPGZWKEBBBBEZ-OAHLLOKOSA-N 2 1 353.511 0.711 10 0 FCAEMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660710249 493374911 /nfs/dbraw/zinc/37/49/11/493374911.db2.gz LAPGZWKEBBBBEZ-OAHLLOKOSA-N 2 1 353.511 0.711 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668549298 493375009 /nfs/dbraw/zinc/37/50/09/493375009.db2.gz WWHNONRPRUYMBK-DOTOQJQBSA-N 2 1 366.506 0.156 10 0 FCAEMP c1cn(C[C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145829 493411656 /nfs/dbraw/zinc/41/16/56/493411656.db2.gz OQMIEHYVLNWCCF-HDICACEKSA-N 2 1 374.493 0.230 10 0 FCAEMP c1cn(C[C@@H]2CC[N@@H+](CCOCC[NH+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145829 493411659 /nfs/dbraw/zinc/41/16/59/493411659.db2.gz OQMIEHYVLNWCCF-HDICACEKSA-N 2 1 374.493 0.230 10 0 FCAEMP c1cn(C[C@@H]2CC[N@H+](CCOCC[NH+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145829 493411663 /nfs/dbraw/zinc/41/16/63/493411663.db2.gz OQMIEHYVLNWCCF-HDICACEKSA-N 2 1 374.493 0.230 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000668796691 493412099 /nfs/dbraw/zinc/41/20/99/493412099.db2.gz ZRWCRSPPLFSWLW-HOCLYGCPSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668933541 493440019 /nfs/dbraw/zinc/44/00/19/493440019.db2.gz HJIGUJBIPARCCP-WBVHZDCISA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@](O)(C3CC3)C2)C1 ZINC000661636504 493454241 /nfs/dbraw/zinc/45/42/41/493454241.db2.gz UICSNBYLNQFAII-HKUYNNGSSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000669253282 493484206 /nfs/dbraw/zinc/48/42/06/493484206.db2.gz XQIQARZNJPKVSP-JKSUJKDBSA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCCO1 ZINC000669253282 493484209 /nfs/dbraw/zinc/48/42/09/493484209.db2.gz XQIQARZNJPKVSP-JKSUJKDBSA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCCO1 ZINC000669253282 493484213 /nfs/dbraw/zinc/48/42/13/493484213.db2.gz XQIQARZNJPKVSP-JKSUJKDBSA-N 2 1 368.522 0.593 10 0 FCAEMP CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662261992 493501779 /nfs/dbraw/zinc/50/17/79/493501779.db2.gz CQCIRBZRRGCTDL-LSDHHAIUSA-N 2 1 365.478 0.806 10 0 FCAEMP CC[NH+](CC)CCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685590578 493504769 /nfs/dbraw/zinc/50/47/69/493504769.db2.gz BLIVORJKOYXISU-OAHLLOKOSA-N 2 1 360.524 0.072 10 0 FCAEMP CC[NH+](CC)CCS(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685590578 493504772 /nfs/dbraw/zinc/50/47/72/493504772.db2.gz BLIVORJKOYXISU-OAHLLOKOSA-N 2 1 360.524 0.072 10 0 FCAEMP O=C(C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCC1CCC1 ZINC000662339006 493507533 /nfs/dbraw/zinc/50/75/33/493507533.db2.gz ZCPQEMGWGHRQCH-MRXNPFEDSA-N 2 1 360.506 0.915 10 0 FCAEMP O=C(C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCC1CCC1 ZINC000662339006 493507536 /nfs/dbraw/zinc/50/75/36/493507536.db2.gz ZCPQEMGWGHRQCH-MRXNPFEDSA-N 2 1 360.506 0.915 10 0 FCAEMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000662337894 493507757 /nfs/dbraw/zinc/50/77/57/493507757.db2.gz NMAZSOHXGRHVKM-KURKYZTESA-N 2 1 374.533 0.862 10 0 FCAEMP C[C@@H](C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)CS(C)(=O)=O ZINC000662337042 493507774 /nfs/dbraw/zinc/50/77/74/493507774.db2.gz IOWOPMQPRQWANX-LSDHHAIUSA-N 2 1 369.535 0.679 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)CS(C)(=O)=O ZINC000662337042 493507777 /nfs/dbraw/zinc/50/77/77/493507777.db2.gz IOWOPMQPRQWANX-LSDHHAIUSA-N 2 1 369.535 0.679 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000676095332 493524214 /nfs/dbraw/zinc/52/42/14/493524214.db2.gz LVAFHHXFVBLSKN-AWEZNQCLSA-N 2 1 354.414 0.806 10 0 FCAEMP [NH3+]CCCCn1cc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nn1 ZINC000662706051 493533362 /nfs/dbraw/zinc/53/33/62/493533362.db2.gz WWUYQAYEZMFFIW-HZPDHXFCSA-N 2 1 362.478 0.390 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662743095 493535812 /nfs/dbraw/zinc/53/58/12/493535812.db2.gz VJWXWAAZNRUETF-NSHGMRRFSA-N 2 1 358.486 0.155 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000662743095 493535813 /nfs/dbraw/zinc/53/58/13/493535813.db2.gz VJWXWAAZNRUETF-NSHGMRRFSA-N 2 1 358.486 0.155 10 0 FCAEMP COCC1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000662744549 493536491 /nfs/dbraw/zinc/53/64/91/493536491.db2.gz QBRKUMNWHPMHOE-IBGZPJMESA-N 2 1 374.529 0.935 10 0 FCAEMP COCC1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000662744549 493536493 /nfs/dbraw/zinc/53/64/93/493536493.db2.gz QBRKUMNWHPMHOE-IBGZPJMESA-N 2 1 374.529 0.935 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662753358 493538697 /nfs/dbraw/zinc/53/86/97/493538697.db2.gz YUGDHDYBBSYEMB-IAGOWNOFSA-N 2 1 360.458 0.305 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662942102 493557663 /nfs/dbraw/zinc/55/76/63/493557663.db2.gz DBAFNPHMAGJXQV-MRXNPFEDSA-N 2 1 350.507 0.777 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H]1Cc1ccccc1 ZINC000662975916 493563036 /nfs/dbraw/zinc/56/30/36/493563036.db2.gz KUSJKMNWKRTANG-OHTSDLOESA-N 2 1 356.470 0.321 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H]1Cc1ccccc1 ZINC000662975916 493563038 /nfs/dbraw/zinc/56/30/38/493563038.db2.gz KUSJKMNWKRTANG-OHTSDLOESA-N 2 1 356.470 0.321 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000663562958 493599335 /nfs/dbraw/zinc/59/93/35/493599335.db2.gz XUWIXUFTMUNFEZ-HNNXBMFYSA-N 2 1 367.538 0.959 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000663562958 493599337 /nfs/dbraw/zinc/59/93/37/493599337.db2.gz XUWIXUFTMUNFEZ-HNNXBMFYSA-N 2 1 367.538 0.959 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000677868684 493620199 /nfs/dbraw/zinc/62/01/99/493620199.db2.gz MKUJNMDGDSQWOF-MWDXBVQZSA-N 2 1 350.507 0.824 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000663937818 493626886 /nfs/dbraw/zinc/62/68/86/493626886.db2.gz SAZZLDOLBATFPG-GOSISDBHSA-N 2 1 364.490 0.631 10 0 FCAEMP COCC[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000663937818 493626888 /nfs/dbraw/zinc/62/68/88/493626888.db2.gz SAZZLDOLBATFPG-GOSISDBHSA-N 2 1 364.490 0.631 10 0 FCAEMP COCC[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000663937818 493626890 /nfs/dbraw/zinc/62/68/90/493626890.db2.gz SAZZLDOLBATFPG-GOSISDBHSA-N 2 1 364.490 0.631 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC000663956068 493627831 /nfs/dbraw/zinc/62/78/31/493627831.db2.gz BHLCHZOEGWAGCX-WNKDZCFJSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC000663956068 493627832 /nfs/dbraw/zinc/62/78/32/493627832.db2.gz BHLCHZOEGWAGCX-WNKDZCFJSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000663956068 493627834 /nfs/dbraw/zinc/62/78/34/493627834.db2.gz BHLCHZOEGWAGCX-WNKDZCFJSA-N 2 1 350.507 0.824 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664064753 493634254 /nfs/dbraw/zinc/63/42/54/493634254.db2.gz CZLILBLABSLRKI-QZTJIDSGSA-N 2 1 368.522 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ACTQCSLPNHCHMQ-BBWFWOEESA-N 2 1 358.552 0.559 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000844170819 670904060 /nfs/dbraw/zinc/90/40/60/670904060.db2.gz QTKINWLOTUVIGH-AWEZNQCLSA-N 2 1 367.881 0.760 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223001 670910735 /nfs/dbraw/zinc/91/07/35/670910735.db2.gz QHSGZQGGORKPST-QGZVFWFLSA-N 3 1 352.523 0.535 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223001 670910739 /nfs/dbraw/zinc/91/07/39/670910739.db2.gz QHSGZQGGORKPST-QGZVFWFLSA-N 3 1 352.523 0.535 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223001 670910740 /nfs/dbraw/zinc/91/07/40/670910740.db2.gz QHSGZQGGORKPST-QGZVFWFLSA-N 3 1 352.523 0.535 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223001 670910743 /nfs/dbraw/zinc/91/07/43/670910743.db2.gz QHSGZQGGORKPST-QGZVFWFLSA-N 2 1 352.523 0.535 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000844223001 670910745 /nfs/dbraw/zinc/91/07/45/670910745.db2.gz QHSGZQGGORKPST-QGZVFWFLSA-N 2 1 352.523 0.535 10 0 FCAEMP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[C@@H]1[NH+](C)C ZINC000849569406 671353127 /nfs/dbraw/zinc/35/31/27/671353127.db2.gz SZBVMOOGCBSVAE-WCXIOVBPSA-N 2 1 365.547 0.959 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000855638498 671656715 /nfs/dbraw/zinc/65/67/15/671656715.db2.gz JPIYOBGBWBPFDA-UHFFFAOYSA-N 2 1 354.495 0.949 10 0 FCAEMP CCCCOCCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509376 675935797 /nfs/dbraw/zinc/93/57/97/675935797.db2.gz GRTNEECHFQQCFQ-HDICACEKSA-N 2 1 352.523 0.820 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000903721129 675963864 /nfs/dbraw/zinc/96/38/64/675963864.db2.gz XIURZEXEPBDMCX-OWCLPIDISA-N 2 1 366.531 0.378 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000903721129 675963866 /nfs/dbraw/zinc/96/38/66/675963866.db2.gz XIURZEXEPBDMCX-OWCLPIDISA-N 2 1 366.531 0.378 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCS1 ZINC000903736587 675965516 /nfs/dbraw/zinc/96/55/16/675965516.db2.gz FBHDHLFSJNNHHZ-BMFZPTHFSA-N 2 1 366.531 0.378 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCS1 ZINC000903736587 675965517 /nfs/dbraw/zinc/96/55/17/675965517.db2.gz FBHDHLFSJNNHHZ-BMFZPTHFSA-N 2 1 366.531 0.378 10 0 FCAEMP [NH3+][C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[C@H]1C(F)(F)F ZINC000903741046 675965935 /nfs/dbraw/zinc/96/59/35/675965935.db2.gz BMKWANIVJHEOAY-OLZOCXBDSA-N 2 1 362.396 0.421 10 0 FCAEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903748299 675967336 /nfs/dbraw/zinc/96/73/36/675967336.db2.gz FRPVHOWBDYQLKF-AGIUHOORSA-N 2 1 364.412 0.523 10 0 FCAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903748299 675967339 /nfs/dbraw/zinc/96/73/39/675967339.db2.gz FRPVHOWBDYQLKF-AGIUHOORSA-N 2 1 364.412 0.523 10 0 FCAEMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903753437 675967838 /nfs/dbraw/zinc/96/78/38/675967838.db2.gz PIJFLIIORXMSBH-FDYHWXHSSA-N 2 1 362.396 0.277 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1(C)C ZINC000903775815 675972132 /nfs/dbraw/zinc/97/21/32/675972132.db2.gz HAABBDLTGJHLDQ-GHMZBOCLSA-N 2 1 350.385 0.277 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1(C)C ZINC000903775815 675972134 /nfs/dbraw/zinc/97/21/34/675972134.db2.gz HAABBDLTGJHLDQ-GHMZBOCLSA-N 2 1 350.385 0.277 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903759794 675969396 /nfs/dbraw/zinc/96/93/96/675969396.db2.gz QKITUYFLKXMHAN-FDYHWXHSSA-N 2 1 362.396 0.277 10 0 FCAEMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707740 672289991 /nfs/dbraw/zinc/28/99/91/672289991.db2.gz JLTNBGPVSOWAEK-QXSJWSMHSA-N 2 1 350.463 0.644 10 0 FCAEMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707740 672289993 /nfs/dbraw/zinc/28/99/93/672289993.db2.gz JLTNBGPVSOWAEK-QXSJWSMHSA-N 2 1 350.463 0.644 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C(C)(C)CC3)CC[C@H]21 ZINC000867741371 672360680 /nfs/dbraw/zinc/36/06/80/672360680.db2.gz BMVQQYUFLBEXOH-HZPDHXFCSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C(C)(C)CC3)CC[C@H]21 ZINC000867741371 672360683 /nfs/dbraw/zinc/36/06/83/672360683.db2.gz BMVQQYUFLBEXOH-HZPDHXFCSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](C)C(C)(C)CC3)CC[C@H]21 ZINC000867741371 672360686 /nfs/dbraw/zinc/36/06/86/672360686.db2.gz BMVQQYUFLBEXOH-HZPDHXFCSA-N 2 1 350.507 0.872 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000868370195 672396048 /nfs/dbraw/zinc/39/60/48/672396048.db2.gz MACSLCXRORSRLM-DNVCBOLYSA-N 2 1 350.507 0.905 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411211 672399246 /nfs/dbraw/zinc/39/92/46/672399246.db2.gz NPTWFDJKFUKLRU-OALUTQOASA-N 2 1 350.507 0.764 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000869236710 672426512 /nfs/dbraw/zinc/42/65/12/672426512.db2.gz HREDQTHNKOBEFO-XQQFMLRXSA-N 2 1 355.401 0.721 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000869236710 672426514 /nfs/dbraw/zinc/42/65/14/672426514.db2.gz HREDQTHNKOBEFO-XQQFMLRXSA-N 2 1 355.401 0.721 10 0 FCAEMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999592 672525227 /nfs/dbraw/zinc/52/52/27/672525227.db2.gz PQKJRYHLHUGGKG-OAGGEKHMSA-N 2 1 352.479 0.892 10 0 FCAEMP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000872189286 672598419 /nfs/dbraw/zinc/59/84/19/672598419.db2.gz JYKFHOMIEXCYBR-UHFFFAOYSA-N 2 1 354.495 0.287 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872196644 672604111 /nfs/dbraw/zinc/60/41/11/672604111.db2.gz WKBJMFMTIMJUGF-RWMBFGLXSA-N 2 1 364.412 0.525 10 0 FCAEMP CCOC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC000880157515 673178068 /nfs/dbraw/zinc/17/80/68/673178068.db2.gz KKUXGHTYHLDHJH-CHWSQXEVSA-N 2 1 365.396 0.824 10 0 FCAEMP CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC000880157515 673178071 /nfs/dbraw/zinc/17/80/71/673178071.db2.gz KKUXGHTYHLDHJH-CHWSQXEVSA-N 2 1 365.396 0.824 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCCCC1 ZINC000929154463 673940399 /nfs/dbraw/zinc/94/03/99/673940399.db2.gz MEIAPDAKDNDWES-MAUKXSAKSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000929197063 673943262 /nfs/dbraw/zinc/94/32/62/673943262.db2.gz CTKQGXPPGJLYLY-HUUCEWRRSA-N 2 1 354.520 0.283 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000929197063 673943265 /nfs/dbraw/zinc/94/32/65/673943265.db2.gz CTKQGXPPGJLYLY-HUUCEWRRSA-N 2 1 354.520 0.283 10 0 FCAEMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929956619 673987656 /nfs/dbraw/zinc/98/76/56/673987656.db2.gz VOFCAEMFHBUOKU-PMPSAXMXSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929956619 673987658 /nfs/dbraw/zinc/98/76/58/673987658.db2.gz VOFCAEMFHBUOKU-PMPSAXMXSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929956619 673987659 /nfs/dbraw/zinc/98/76/59/673987659.db2.gz VOFCAEMFHBUOKU-PMPSAXMXSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929956619 673987660 /nfs/dbraw/zinc/98/76/60/673987660.db2.gz VOFCAEMFHBUOKU-PMPSAXMXSA-N 2 1 368.547 0.673 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12)[N@@H+](C)C1CC1 ZINC000929961694 673988274 /nfs/dbraw/zinc/98/82/74/673988274.db2.gz YGAPSSDPXCIXOH-BPLDGKMQSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[NH+](C)C1CC1 ZINC000929961694 673988275 /nfs/dbraw/zinc/98/82/75/673988275.db2.gz YGAPSSDPXCIXOH-BPLDGKMQSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[NH+](C)C1CC1 ZINC000929961694 673988276 /nfs/dbraw/zinc/98/82/76/673988276.db2.gz YGAPSSDPXCIXOH-BPLDGKMQSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[N@H+](C)C1CC1 ZINC000929961694 673988277 /nfs/dbraw/zinc/98/82/77/673988277.db2.gz YGAPSSDPXCIXOH-BPLDGKMQSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)[N@@H+](C)C1CC1 ZINC000929961694 673988278 /nfs/dbraw/zinc/98/82/78/673988278.db2.gz YGAPSSDPXCIXOH-BPLDGKMQSA-N 2 1 354.520 0.281 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000930210018 674005371 /nfs/dbraw/zinc/00/53/71/674005371.db2.gz PBXYZELAIPDSEE-UHFFFAOYSA-N 2 1 354.495 0.204 10 0 FCAEMP C[C@H](CNC(=O)CN1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)C(C)(C)C1 ZINC000930312996 674012625 /nfs/dbraw/zinc/01/26/25/674012625.db2.gz VHPUMWRWJQKSJV-MRXNPFEDSA-N 2 1 353.555 0.543 10 0 FCAEMP C[C@H](CNC(=O)CN1CC[NH+](C)C(C)(C)C1)N1CC[N@H+](C)C(C)(C)C1 ZINC000930312996 674012630 /nfs/dbraw/zinc/01/26/30/674012630.db2.gz VHPUMWRWJQKSJV-MRXNPFEDSA-N 2 1 353.555 0.543 10 0 FCAEMP C[C@H](CNC(=O)CN1CC[NH+](C)C(C)(C)C1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000930312996 674012632 /nfs/dbraw/zinc/01/26/32/674012632.db2.gz VHPUMWRWJQKSJV-MRXNPFEDSA-N 2 1 353.555 0.543 10 0 FCAEMP COC1CC[NH+](C2(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CCCC2)CC1 ZINC000900625758 675701153 /nfs/dbraw/zinc/70/11/53/675701153.db2.gz YMDXNIDOHRLIDF-CRAIPNDOSA-N 2 1 353.507 0.981 10 0 FCAEMP COC1CC[NH+](C2(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CCCC2)CC1 ZINC000900625758 675701158 /nfs/dbraw/zinc/70/11/58/675701158.db2.gz YMDXNIDOHRLIDF-CRAIPNDOSA-N 2 1 353.507 0.981 10 0 FCAEMP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@H]1CCS(=O)(=O)C1 ZINC000900980135 675737038 /nfs/dbraw/zinc/73/70/38/675737038.db2.gz HUWJQLJRCBVYPF-IKGGRYGDSA-N 2 1 371.547 0.971 10 0 FCAEMP C[NH+](C)CCC(=O)NCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001687121448 1167916422 /nfs/dbraw/zinc/91/64/22/1167916422.db2.gz PHMYBYKEWWGKML-MSOLQXFVSA-N 2 1 360.502 0.906 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000125395086 1171929103 /nfs/dbraw/zinc/92/91/03/1171929103.db2.gz FKXPOSIUIOTGDS-GJZGRUSLSA-N 2 1 364.494 0.620 10 0 FCAEMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483008181 1192698146 /nfs/dbraw/zinc/69/81/46/1192698146.db2.gz HOLLSVNZSFYODL-GSMFTCMCSA-N 2 1 367.494 0.213 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001483009186 1192700086 /nfs/dbraw/zinc/70/00/86/1192700086.db2.gz RVCDTMDZUQPNCR-QITAHTHBSA-N 2 1 364.412 0.657 10 0 FCAEMP C[N@@H+]1C[C@@H](CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H](c2ccccc2)C1 ZINC000897589004 1192824608 /nfs/dbraw/zinc/82/46/08/1192824608.db2.gz QAIATJOEBFWJPM-QRQLOZEOSA-N 2 1 358.486 0.792 10 0 FCAEMP C[N@H+]1C[C@@H](CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H](c2ccccc2)C1 ZINC000897589004 1192824610 /nfs/dbraw/zinc/82/46/10/1192824610.db2.gz QAIATJOEBFWJPM-QRQLOZEOSA-N 2 1 358.486 0.792 10 0 FCAEMP C[NH+]1C[C@@H](CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@H](c2ccccc2)C1 ZINC000897589004 1192824611 /nfs/dbraw/zinc/82/46/11/1192824611.db2.gz QAIATJOEBFWJPM-QRQLOZEOSA-N 2 1 358.486 0.792 10 0 FCAEMP C[NH+]1C[C@@H](CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@H](c2ccccc2)C1 ZINC000897589004 1192824612 /nfs/dbraw/zinc/82/46/12/1192824612.db2.gz QAIATJOEBFWJPM-QRQLOZEOSA-N 2 1 358.486 0.792 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000897632178 1192837826 /nfs/dbraw/zinc/83/78/26/1192837826.db2.gz KWTHCPGBUHTZPX-OAHLLOKOSA-N 2 1 359.474 0.719 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897636728 1192839620 /nfs/dbraw/zinc/83/96/20/1192839620.db2.gz VDSMJJBMXWPPFM-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897636728 1192839621 /nfs/dbraw/zinc/83/96/21/1192839621.db2.gz VDSMJJBMXWPPFM-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897636728 1192839623 /nfs/dbraw/zinc/83/96/23/1192839623.db2.gz VDSMJJBMXWPPFM-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897636728 1192839624 /nfs/dbraw/zinc/83/96/24/1192839624.db2.gz VDSMJJBMXWPPFM-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897636728 1192839626 /nfs/dbraw/zinc/83/96/26/1192839626.db2.gz VDSMJJBMXWPPFM-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000897975139 1192852267 /nfs/dbraw/zinc/85/22/67/1192852267.db2.gz CJSXABKWLGTNOL-MAUKXSAKSA-N 2 1 373.501 0.934 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000898127689 1192858771 /nfs/dbraw/zinc/85/87/71/1192858771.db2.gz IITJEMJLSJFCDB-JKSUJKDBSA-N 2 1 359.474 0.719 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000898005817 1192853652 /nfs/dbraw/zinc/85/36/52/1192853652.db2.gz JHYSTRWNBYRYMG-XHSDSOJGSA-N 2 1 371.485 0.860 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000898070560 1192857060 /nfs/dbraw/zinc/85/70/60/1192857060.db2.gz SLCAXVBPYWJIIP-DLBZAZTESA-N 2 1 373.501 0.967 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001719687218 1179387615 /nfs/dbraw/zinc/38/76/15/1179387615.db2.gz GBAXIRVZCJCVSG-XLIONFOSSA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127011432 1179455837 /nfs/dbraw/zinc/45/58/37/1179455837.db2.gz WOEAVIYJSJPNMU-HNNXBMFYSA-N 2 1 364.494 0.620 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001719723286 1179784186 /nfs/dbraw/zinc/78/41/86/1179784186.db2.gz WCYYPTIVKXIZEN-HLLBOEOZSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001719723286 1179784200 /nfs/dbraw/zinc/78/42/00/1179784200.db2.gz WCYYPTIVKXIZEN-HLLBOEOZSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001719746921 1179869935 /nfs/dbraw/zinc/86/99/35/1179869935.db2.gz CUGCHTJCAGXFEI-ZACQAIPSSA-N 2 1 350.507 0.777 10 0 FCAEMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC(=O)NC(=O)NC ZINC001481136745 1182444643 /nfs/dbraw/zinc/44/46/43/1182444643.db2.gz NXOBYBGJXULFOK-UONOGXRCSA-N 2 1 355.483 0.001 10 0 FCAEMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC(=O)NC(=O)NC ZINC001481136745 1182444649 /nfs/dbraw/zinc/44/46/49/1182444649.db2.gz NXOBYBGJXULFOK-UONOGXRCSA-N 2 1 355.483 0.001 10 0 FCAEMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC(=O)NC(=O)NC ZINC001481136745 1182444655 /nfs/dbraw/zinc/44/46/55/1182444655.db2.gz NXOBYBGJXULFOK-UONOGXRCSA-N 2 1 355.483 0.001 10 0 FCAEMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC(=O)NC(=O)NC ZINC001481136745 1182444660 /nfs/dbraw/zinc/44/46/60/1182444660.db2.gz NXOBYBGJXULFOK-UONOGXRCSA-N 2 1 355.483 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001482043652 1187585937 /nfs/dbraw/zinc/58/59/37/1187585937.db2.gz USWBJEUDIODPNJ-LSDHHAIUSA-N 2 1 367.494 0.130 10 0 FCAEMP CCO[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1n1cccn1 ZINC000549939304 1187748959 /nfs/dbraw/zinc/74/89/59/1187748959.db2.gz JYLHNZICCYWPEU-KSZLIROESA-N 2 1 371.489 0.933 10 0 FCAEMP CCO[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1n1cccn1 ZINC000549939307 1187749265 /nfs/dbraw/zinc/74/92/65/1187749265.db2.gz JYLHNZICCYWPEU-RCCFBDPRSA-N 2 1 371.489 0.933 10 0 FCAEMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268663832 1187754193 /nfs/dbraw/zinc/75/41/93/1187754193.db2.gz OOXIBZKERKWEGX-OIISXLGYSA-N 2 1 356.474 0.755 10 0 FCAEMP C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268663832 1187754195 /nfs/dbraw/zinc/75/41/95/1187754195.db2.gz OOXIBZKERKWEGX-OIISXLGYSA-N 2 1 356.474 0.755 10 0 FCAEMP C[C@H](C[NH2+]CC(=O)N(C)c1nccs1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482283160 1188121428 /nfs/dbraw/zinc/12/14/28/1188121428.db2.gz IXDBYPOEWJJYTP-MGPQQGTHSA-N 2 1 367.519 0.883 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001270518840 1188183735 /nfs/dbraw/zinc/18/37/35/1188183735.db2.gz DEOMAYBZQRSJRJ-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001270518840 1188183740 /nfs/dbraw/zinc/18/37/40/1188183740.db2.gz DEOMAYBZQRSJRJ-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001270518840 1188183750 /nfs/dbraw/zinc/18/37/50/1188183750.db2.gz DEOMAYBZQRSJRJ-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001719864956 1188363871 /nfs/dbraw/zinc/36/38/71/1188363871.db2.gz KEADDWAZXLQCJZ-MTSZKFMLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001719864956 1188363875 /nfs/dbraw/zinc/36/38/75/1188363875.db2.gz KEADDWAZXLQCJZ-MTSZKFMLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001719864956 1188363880 /nfs/dbraw/zinc/36/38/80/1188363880.db2.gz KEADDWAZXLQCJZ-MTSZKFMLSA-N 2 1 350.507 0.917 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3C[C@H]4CCCCN4C3=O)cn2)CC1 ZINC000895341186 1189839026 /nfs/dbraw/zinc/83/90/26/1189839026.db2.gz FPGFPLSUPZZLCU-QGZVFWFLSA-N 2 1 373.505 0.608 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896072202 1189932659 /nfs/dbraw/zinc/93/26/59/1189932659.db2.gz DKHDFYXEOVWWER-QGZVFWFLSA-N 2 1 366.506 0.156 10 0 FCAEMP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896528780 1190072876 /nfs/dbraw/zinc/07/28/76/1190072876.db2.gz UTLUHKGQIHIGOK-ILXRZTDVSA-N 2 1 371.526 0.192 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897336525 1190700603 /nfs/dbraw/zinc/70/06/03/1190700603.db2.gz YNRNUGSMTDPDOF-VAMGGRTRSA-N 2 1 373.497 0.706 10 0 FCAEMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897353357 1190750607 /nfs/dbraw/zinc/75/06/07/1190750607.db2.gz HZVNMAFMVNFFTI-VQTJNVASSA-N 2 1 373.497 0.980 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000550687661 1193734761 /nfs/dbraw/zinc/73/47/61/1193734761.db2.gz MJGRVJRHOOQWAS-KRWDZBQOSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000550903328 1193819325 /nfs/dbraw/zinc/81/93/25/1193819325.db2.gz VWHSIKBNPRUTKU-INIZCTEOSA-N 2 1 373.501 0.967 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000552847109 1193955177 /nfs/dbraw/zinc/95/51/77/1193955177.db2.gz KMIKGOCSVPITEO-MRXNPFEDSA-N 2 1 360.502 0.960 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000552847109 1193955179 /nfs/dbraw/zinc/95/51/79/1193955179.db2.gz KMIKGOCSVPITEO-MRXNPFEDSA-N 2 1 360.502 0.960 10 0 FCAEMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553835752 1194020202 /nfs/dbraw/zinc/02/02/02/1194020202.db2.gz YJLHIOKHQOMWBF-KBPBESRZSA-N 2 1 364.494 0.481 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001483228714 1195524610 /nfs/dbraw/zinc/52/46/10/1195524610.db2.gz WMXHLOFWFZWOIU-SOUVJXGZSA-N 2 1 365.526 0.795 10 0 FCAEMP [NH3+]C1CCN(Cc2cn(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000905817188 1195602990 /nfs/dbraw/zinc/60/29/90/1195602990.db2.gz XVEKMRSRNQYFQZ-FQEVSTJZSA-N 2 1 370.501 0.838 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000907739865 1195708040 /nfs/dbraw/zinc/70/80/40/1195708040.db2.gz VWINDUNDIXWIIB-WSTZPKSXSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000907739865 1195708046 /nfs/dbraw/zinc/70/80/46/1195708046.db2.gz VWINDUNDIXWIIB-WSTZPKSXSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000907739865 1195708051 /nfs/dbraw/zinc/70/80/51/1195708051.db2.gz VWINDUNDIXWIIB-WSTZPKSXSA-N 2 1 361.486 0.849 10 0 FCAEMP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000914002443 1197197826 /nfs/dbraw/zinc/19/78/26/1197197826.db2.gz HENXMLKNPOUAES-JKSUJKDBSA-N 2 1 361.494 0.381 10 0 FCAEMP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000914002443 1197197839 /nfs/dbraw/zinc/19/78/39/1197197839.db2.gz HENXMLKNPOUAES-JKSUJKDBSA-N 2 1 361.494 0.381 10 0 FCAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914275858 1197504097 /nfs/dbraw/zinc/50/40/97/1197504097.db2.gz XCSKCLIAVJTCMZ-TVFCKZIOSA-N 2 1 371.547 0.986 10 0 FCAEMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845445596 1204501578 /nfs/dbraw/zinc/50/15/78/1204501578.db2.gz BYRYPRQJXWEKDH-HUUCEWRRSA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846253810 1204604167 /nfs/dbraw/zinc/60/41/67/1204604167.db2.gz MZWPKISNAWWWBK-CABCVRRESA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846253810 1204604171 /nfs/dbraw/zinc/60/41/71/1204604171.db2.gz MZWPKISNAWWWBK-CABCVRRESA-N 2 1 372.510 0.356 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001182551369 1206438705 /nfs/dbraw/zinc/43/87/05/1206438705.db2.gz ADDTUYTUEHGPKB-HZPDHXFCSA-N 2 1 359.474 0.612 10 0 FCAEMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000867433176 1208480989 /nfs/dbraw/zinc/48/09/89/1208480989.db2.gz FBSLVBOMBBQCHT-INIZCTEOSA-N 2 1 366.506 0.110 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001488620311 1208545268 /nfs/dbraw/zinc/54/52/68/1208545268.db2.gz HVGTZUNUZQFLNP-OAGGEKHMSA-N 2 1 368.522 0.639 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001488620311 1208545278 /nfs/dbraw/zinc/54/52/78/1208545278.db2.gz HVGTZUNUZQFLNP-OAGGEKHMSA-N 2 1 368.522 0.639 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001488830193 1208556629 /nfs/dbraw/zinc/55/66/29/1208556629.db2.gz HXTASKSGPAQYIB-ARILJUKYSA-N 2 1 367.494 0.045 10 0 FCAEMP CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001488959714 1208573644 /nfs/dbraw/zinc/57/36/44/1208573644.db2.gz VQYSKCAJJBFMHX-IJEWVQPXSA-N 2 1 370.457 0.890 10 0 FCAEMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001488943849 1208579911 /nfs/dbraw/zinc/57/99/11/1208579911.db2.gz GOMVSNGHTWVGKT-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001488953637 1208583515 /nfs/dbraw/zinc/58/35/15/1208583515.db2.gz BTQWSTDDYQPVAM-OWCLPIDISA-N 2 1 364.490 0.352 10 0 FCAEMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001488966467 1208589492 /nfs/dbraw/zinc/58/94/92/1208589492.db2.gz UKJJOVIEBDJSLL-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001488968181 1208590602 /nfs/dbraw/zinc/59/06/02/1208590602.db2.gz RXBDOTSMRKUZBP-UONOGXRCSA-N 2 1 352.483 0.850 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001488968181 1208590607 /nfs/dbraw/zinc/59/06/07/1208590607.db2.gz RXBDOTSMRKUZBP-UONOGXRCSA-N 2 1 352.483 0.850 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001489055919 1208616023 /nfs/dbraw/zinc/61/60/23/1208616023.db2.gz IJVXXZSCFWEKTJ-CVEARBPZSA-N 2 1 366.506 0.692 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001489133856 1208636770 /nfs/dbraw/zinc/63/67/70/1208636770.db2.gz YLQDOJWZQWGXRF-HRCADAONSA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001489200829 1208663151 /nfs/dbraw/zinc/66/31/51/1208663151.db2.gz NMAMAFZRCONIIW-BBWFWOEESA-N 2 1 371.547 0.543 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001489200829 1208663154 /nfs/dbraw/zinc/66/31/54/1208663154.db2.gz NMAMAFZRCONIIW-BBWFWOEESA-N 2 1 371.547 0.543 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001489200829 1208663157 /nfs/dbraw/zinc/66/31/57/1208663157.db2.gz NMAMAFZRCONIIW-BBWFWOEESA-N 2 1 371.547 0.543 10 0 FCAEMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)CC[C@@H]3C2)C1 ZINC001489205022 1208667358 /nfs/dbraw/zinc/66/73/58/1208667358.db2.gz BGHGTDKATBCAQA-KURKYZTESA-N 2 1 362.518 0.635 10 0 FCAEMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)C1 ZINC001489205022 1208667360 /nfs/dbraw/zinc/66/73/60/1208667360.db2.gz BGHGTDKATBCAQA-KURKYZTESA-N 2 1 362.518 0.635 10 0 FCAEMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC4CC4)CC[C@@H]3C2)C1 ZINC001489205022 1208667367 /nfs/dbraw/zinc/66/73/67/1208667367.db2.gz BGHGTDKATBCAQA-KURKYZTESA-N 2 1 362.518 0.635 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001489530173 1208884942 /nfs/dbraw/zinc/88/49/42/1208884942.db2.gz HXIRVFRPEDROGF-HZPDHXFCSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489486213 1208886272 /nfs/dbraw/zinc/88/62/72/1208886272.db2.gz TYPKCKJBNGXDNM-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489486213 1208886276 /nfs/dbraw/zinc/88/62/76/1208886276.db2.gz TYPKCKJBNGXDNM-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]1OC ZINC001489534998 1208896357 /nfs/dbraw/zinc/89/63/57/1208896357.db2.gz KAXUYMDINYKSCG-HUUCEWRRSA-N 2 1 356.511 0.401 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001489588817 1209008004 /nfs/dbraw/zinc/00/80/04/1209008004.db2.gz JGOQDANBWOGOEA-ZACQAIPSSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001489588817 1209008010 /nfs/dbraw/zinc/00/80/10/1209008010.db2.gz JGOQDANBWOGOEA-ZACQAIPSSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001489588817 1209008011 /nfs/dbraw/zinc/00/80/11/1209008011.db2.gz JGOQDANBWOGOEA-ZACQAIPSSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001489687487 1209087619 /nfs/dbraw/zinc/08/76/19/1209087619.db2.gz QGBMECYWPIGHDR-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001489687487 1209087622 /nfs/dbraw/zinc/08/76/22/1209087622.db2.gz QGBMECYWPIGHDR-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001489687487 1209087624 /nfs/dbraw/zinc/08/76/24/1209087624.db2.gz QGBMECYWPIGHDR-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001489687487 1209087627 /nfs/dbraw/zinc/08/76/27/1209087627.db2.gz QGBMECYWPIGHDR-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001489903797 1209145603 /nfs/dbraw/zinc/14/56/03/1209145603.db2.gz RCTNTTLKIUUOFX-UONOGXRCSA-N 2 1 365.478 0.703 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001489926479 1209158149 /nfs/dbraw/zinc/15/81/49/1209158149.db2.gz SYIBHRMNACAWGZ-QLFBSQMISA-N 2 1 363.462 0.026 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001489931757 1209164737 /nfs/dbraw/zinc/16/47/37/1209164737.db2.gz RUGWNXLHKMXNOY-GVDBMIGSSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@H](C(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C)[NH+](C)C ZINC001490111359 1209237598 /nfs/dbraw/zinc/23/75/98/1209237598.db2.gz SZFLZOISGLDJSM-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490340505 1209325020 /nfs/dbraw/zinc/32/50/20/1209325020.db2.gz GCGREYKTYWBUGW-KBAYOESNSA-N 2 1 364.534 0.881 10 0 FCAEMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490423824 1209350034 /nfs/dbraw/zinc/35/00/34/1209350034.db2.gz YEUQTNUWAJQEJI-BRWVUGGUSA-N 2 1 362.518 0.635 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC001490466240 1209354582 /nfs/dbraw/zinc/35/45/82/1209354582.db2.gz HCNOKNHTPLHTCB-IEBWSBKVSA-N 2 1 366.550 0.877 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763246 1209519101 /nfs/dbraw/zinc/51/91/01/1209519101.db2.gz MYTIPYICWFXNOT-QUCCMNQESA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763246 1209519107 /nfs/dbraw/zinc/51/91/07/1209519107.db2.gz MYTIPYICWFXNOT-QUCCMNQESA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763246 1209519111 /nfs/dbraw/zinc/51/91/11/1209519111.db2.gz MYTIPYICWFXNOT-QUCCMNQESA-N 2 1 360.502 0.461 10 0 FCAEMP CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000852708396 1209560001 /nfs/dbraw/zinc/56/00/01/1209560001.db2.gz ZTDAMSHMXVXNFP-QFBILLFUSA-N 2 1 369.506 0.889 10 0 FCAEMP CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000852708396 1209560007 /nfs/dbraw/zinc/56/00/07/1209560007.db2.gz ZTDAMSHMXVXNFP-QFBILLFUSA-N 2 1 369.506 0.889 10 0 FCAEMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852863692 1209568254 /nfs/dbraw/zinc/56/82/54/1209568254.db2.gz XWOBQLCGYHKEKE-OAHLLOKOSA-N 2 1 359.430 0.506 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000853320485 1209589208 /nfs/dbraw/zinc/58/92/08/1209589208.db2.gz BWYMOIVNUUEGMZ-HNNXBMFYSA-N 2 1 374.493 0.734 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000853320485 1209589218 /nfs/dbraw/zinc/58/92/18/1209589218.db2.gz BWYMOIVNUUEGMZ-HNNXBMFYSA-N 2 1 374.493 0.734 10 0 FCAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861581496 1209872267 /nfs/dbraw/zinc/87/22/67/1209872267.db2.gz OPBSXHJRARKHJW-MAZHCROVSA-N 2 1 363.462 0.190 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000861756171 1209879936 /nfs/dbraw/zinc/87/99/36/1209879936.db2.gz UNXKOXAWEDWHBT-DOMZBBRYSA-N 2 1 356.430 0.449 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCc3c(CC(N)=O)cccc3C2)C1=O ZINC000864350435 1209958627 /nfs/dbraw/zinc/95/86/27/1209958627.db2.gz FBZOHFPRNSYKJX-QGZVFWFLSA-N 2 1 372.469 0.152 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCc3c(CC(N)=O)cccc3C2)C1=O ZINC000864350435 1209958630 /nfs/dbraw/zinc/95/86/30/1209958630.db2.gz FBZOHFPRNSYKJX-QGZVFWFLSA-N 2 1 372.469 0.152 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865058052 1209970397 /nfs/dbraw/zinc/97/03/97/1209970397.db2.gz GAYZISBWALGGFH-ILXRZTDVSA-N 2 1 370.494 0.421 10 0 FCAEMP NC(=O)c1ccc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000866661477 1210000875 /nfs/dbraw/zinc/00/08/75/1210000875.db2.gz QKURHYAFGLUQJG-WMZOPIPTSA-N 2 1 358.486 0.908 10 0 FCAEMP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706523 1210001926 /nfs/dbraw/zinc/00/19/26/1210001926.db2.gz BJACMLSVAPRPDT-OWLYRPNTSA-N 2 1 372.469 0.867 10 0 FCAEMP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706523 1210001931 /nfs/dbraw/zinc/00/19/31/1210001931.db2.gz BJACMLSVAPRPDT-OWLYRPNTSA-N 2 1 372.469 0.867 10 0 FCAEMP O=C(CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCc2ccccc21 ZINC000866707899 1210002216 /nfs/dbraw/zinc/00/22/16/1210002216.db2.gz JULAOGAHSOSJKS-NXHRZFHOSA-N 2 1 370.453 0.833 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707629 1210002248 /nfs/dbraw/zinc/00/22/48/1210002248.db2.gz JIDNTNHTIMMUEJ-AOEXVQCMSA-N 2 1 364.490 0.937 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707629 1210002254 /nfs/dbraw/zinc/00/22/54/1210002254.db2.gz JIDNTNHTIMMUEJ-AOEXVQCMSA-N 2 1 364.490 0.937 10 0 FCAEMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707573 1210002393 /nfs/dbraw/zinc/00/23/93/1210002393.db2.gz ILWLSJVLWXEAEM-HPBDAGMYSA-N 2 1 372.469 0.900 10 0 FCAEMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707573 1210002396 /nfs/dbraw/zinc/00/23/96/1210002396.db2.gz ILWLSJVLWXEAEM-HPBDAGMYSA-N 2 1 372.469 0.900 10 0 FCAEMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236338 1210046216 /nfs/dbraw/zinc/04/62/16/1210046216.db2.gz HVVBQDRPXQZEHK-ZWKOTPCHSA-N 2 1 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0.882 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000868637258 1210070757 /nfs/dbraw/zinc/07/07/57/1210070757.db2.gz UWXFXYIBMZHXFC-CABCVRRESA-N 2 1 372.510 0.404 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)ccn2)CC1 ZINC000869781091 1210094465 /nfs/dbraw/zinc/09/44/65/1210094465.db2.gz DSRPTEOYSLWRGK-INIZCTEOSA-N 2 1 361.490 0.408 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872192397 1210176728 /nfs/dbraw/zinc/17/67/28/1210176728.db2.gz VFDQLBXFDAVVCB-WAOWUJCRSA-N 2 1 370.497 0.787 10 0 FCAEMP Cc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1-n1cncn1 ZINC000872254980 1210182066 /nfs/dbraw/zinc/18/20/66/1210182066.db2.gz HUORKJPTQOBTEV-NXHRZFHOSA-N 2 1 368.441 0.943 10 0 FCAEMP Cn1c2ccc(C[N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc2sc1=O ZINC000872256917 1210183541 /nfs/dbraw/zinc/18/35/41/1210183541.db2.gz FSTMEGVBZNLKMD-YUELXQCFSA-N 2 1 374.466 0.967 10 0 FCAEMP 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CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490816907 1211356498 /nfs/dbraw/zinc/35/64/98/1211356498.db2.gz RHZFXHFOOQEKCD-VQHPVUNQSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001490816907 1211356501 /nfs/dbraw/zinc/35/65/01/1211356501.db2.gz RHZFXHFOOQEKCD-VQHPVUNQSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001490816907 1211356505 /nfs/dbraw/zinc/35/65/05/1211356505.db2.gz RHZFXHFOOQEKCD-VQHPVUNQSA-N 2 1 350.507 0.917 10 0 FCAEMP O=C(CNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000925842430 1211508953 /nfs/dbraw/zinc/50/89/53/1211508953.db2.gz WZQOPWQDZAMMIU-FGTMMUONSA-N 2 1 374.485 0.166 10 0 FCAEMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926343153 1211535125 /nfs/dbraw/zinc/53/51/25/1211535125.db2.gz DGSYYEPFGRCEAA-LJQANCHMSA-N 2 1 364.490 0.054 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[C@@H]1C[NH3+] ZINC000926369073 1211540820 /nfs/dbraw/zinc/54/08/20/1211540820.db2.gz ZUXCOSYTICRZBU-XLMAVXFVSA-N 2 1 362.518 0.905 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926655876 1211552788 /nfs/dbraw/zinc/55/27/88/1211552788.db2.gz DKZNRVXFYLGKQZ-XDNAFOTISA-N 2 1 368.522 0.848 10 0 FCAEMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927639508 1211578270 /nfs/dbraw/zinc/57/82/70/1211578270.db2.gz BPHOCXHICVNKNM-QZTJIDSGSA-N 2 1 368.522 0.992 10 0 FCAEMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927928439 1211593504 /nfs/dbraw/zinc/59/35/04/1211593504.db2.gz NPIGYEGUQGWCEA-SFHVURJKSA-N 2 1 354.414 0.950 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)c2N)CC[NH+]1C ZINC000928432464 1211602013 /nfs/dbraw/zinc/60/20/13/1211602013.db2.gz JWGJBSISACCSKO-AZQPONJRSA-N 2 1 373.501 0.914 10 0 FCAEMP 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10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929186362 1211621422 /nfs/dbraw/zinc/62/14/22/1211621422.db2.gz QQBARTRGEPLLFK-BBTUJRGHSA-N 2 1 372.513 0.686 10 0 FCAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000929400638 1211635816 /nfs/dbraw/zinc/63/58/16/1211635816.db2.gz BZTBPHAWDGAUHN-PDOICOKGSA-N 2 1 364.534 0.881 10 0 FCAEMP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000929430447 1211638542 /nfs/dbraw/zinc/63/85/42/1211638542.db2.gz XUVZECWIBRQXQW-UHFFFAOYSA-N 2 1 369.554 0.176 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000929570093 1211647855 /nfs/dbraw/zinc/64/78/55/1211647855.db2.gz VQJAAQRZKINGPJ-RCCFBDPRSA-N 2 1 373.501 0.934 10 0 FCAEMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000929658603 1211653265 /nfs/dbraw/zinc/65/32/65/1211653265.db2.gz BRMYGOAZYXSQRB-QZTJIDSGSA-N 2 1 358.486 0.978 10 0 FCAEMP 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C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[NH+]1C1CC1 ZINC000930482245 1211708662 /nfs/dbraw/zinc/70/86/62/1211708662.db2.gz YYXHUABTFYTNHW-CPUCHLNUSA-N 2 1 364.490 0.097 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[NH+]1C1CC1 ZINC000930482245 1211708666 /nfs/dbraw/zinc/70/86/66/1211708666.db2.gz YYXHUABTFYTNHW-CPUCHLNUSA-N 2 1 364.490 0.097 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)C1 ZINC000930916221 1211728513 /nfs/dbraw/zinc/72/85/13/1211728513.db2.gz OIBGTUQLPCIWJV-YYIAUSFCSA-N 2 1 368.522 0.434 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)C1 ZINC000930916221 1211728515 /nfs/dbraw/zinc/72/85/15/1211728515.db2.gz OIBGTUQLPCIWJV-YYIAUSFCSA-N 2 1 368.522 0.434 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)C1 ZINC000930916221 1211728516 /nfs/dbraw/zinc/72/85/16/1211728516.db2.gz OIBGTUQLPCIWJV-YYIAUSFCSA-N 2 1 368.522 0.434 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1C[C@]3(C)C[NH+](C)C[C@@]3(C)C1)c(=O)n2C ZINC000931306117 1211750556 /nfs/dbraw/zinc/75/05/56/1211750556.db2.gz CGHWBUIAGPAKAD-OALUTQOASA-N 2 1 374.489 0.097 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931403242 1211752971 /nfs/dbraw/zinc/75/29/71/1211752971.db2.gz LXJFJEWVCDQHTM-QRQLOZEOSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931403242 1211752974 /nfs/dbraw/zinc/75/29/74/1211752974.db2.gz LXJFJEWVCDQHTM-QRQLOZEOSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)[C@H](CO)C1 ZINC000931403242 1211752977 /nfs/dbraw/zinc/75/29/77/1211752977.db2.gz LXJFJEWVCDQHTM-QRQLOZEOSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)[C@H](CO)C1 ZINC000931403242 1211752978 /nfs/dbraw/zinc/75/29/78/1211752978.db2.gz LXJFJEWVCDQHTM-QRQLOZEOSA-N 2 1 360.502 0.374 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000900685106 1218024287 /nfs/dbraw/zinc/02/42/87/1218024287.db2.gz LTRHSCAANVECNU-IBGZPJMESA-N 2 1 368.522 0.236 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC1 ZINC000900685106 1218024288 /nfs/dbraw/zinc/02/42/88/1218024288.db2.gz LTRHSCAANVECNU-IBGZPJMESA-N 2 1 368.522 0.236 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685106 1218024293 /nfs/dbraw/zinc/02/42/93/1218024293.db2.gz LTRHSCAANVECNU-IBGZPJMESA-N 2 1 368.522 0.236 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900685106 1218024296 /nfs/dbraw/zinc/02/42/96/1218024296.db2.gz LTRHSCAANVECNU-IBGZPJMESA-N 2 1 368.522 0.236 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000902325607 1218245056 /nfs/dbraw/zinc/24/50/56/1218245056.db2.gz RNLLBDXTNHDXLN-MRXNPFEDSA-N 3 1 369.510 0.583 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000902325607 1218245061 /nfs/dbraw/zinc/24/50/61/1218245061.db2.gz RNLLBDXTNHDXLN-MRXNPFEDSA-N 3 1 369.510 0.583 10 0 FCAEMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495116 1218426947 /nfs/dbraw/zinc/42/69/47/1218426947.db2.gz VVACONRKSOKESF-OWCLPIDISA-N 2 1 362.474 0.869 10 0 FCAEMP Cc1cc(N2CC[C@H](N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)C2=O)n(C)n1 ZINC000903506949 1218431035 /nfs/dbraw/zinc/43/10/35/1218431035.db2.gz GQPASYBUAPLGMA-KSZLIROESA-N 2 1 372.517 0.734 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@H]1CC[NH3+] ZINC000903715352 1218505408 /nfs/dbraw/zinc/50/54/08/1218505408.db2.gz TXEUKAWSPXYLMM-IEBWSBKVSA-N 2 1 372.513 0.817 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC[C@H]1C(F)(F)F ZINC000903741001 1218511878 /nfs/dbraw/zinc/51/18/78/1218511878.db2.gz ARXHSMWOGDSKPO-VXGBXAGGSA-N 2 1 373.379 0.854 10 0 FCAEMP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903742281 1218512129 /nfs/dbraw/zinc/51/21/29/1218512129.db2.gz MORYGIYPLHCWNG-WTTBNOFXSA-N 2 1 364.490 0.049 10 0 FCAEMP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903742281 1218512138 /nfs/dbraw/zinc/51/21/38/1218512138.db2.gz MORYGIYPLHCWNG-WTTBNOFXSA-N 2 1 364.490 0.049 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@H]1C ZINC000903743867 1218513333 /nfs/dbraw/zinc/51/33/33/1218513333.db2.gz HQZTYPGXOFSZOI-AHCXZYCDSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@H]1C ZINC000903743867 1218513345 /nfs/dbraw/zinc/51/33/45/1218513345.db2.gz HQZTYPGXOFSZOI-AHCXZYCDSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC[C@@H]1C ZINC000903743875 1218513578 /nfs/dbraw/zinc/51/35/78/1218513578.db2.gz HQZTYPGXOFSZOI-UOVPBQLFSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC[C@@H]1C ZINC000903743875 1218513588 /nfs/dbraw/zinc/51/35/88/1218513588.db2.gz HQZTYPGXOFSZOI-UOVPBQLFSA-N 2 1 362.518 0.918 10 0 FCAEMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903772628 1218521782 /nfs/dbraw/zinc/52/17/82/1218521782.db2.gz SHYYWFFTBKJPKR-ZWKOTPCHSA-N 2 1 372.513 0.958 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cnn1C ZINC000903980788 1218579681 /nfs/dbraw/zinc/57/96/81/1218579681.db2.gz ZXWQNZRNPRAEES-AHRSYUTCSA-N 3 1 360.550 0.747 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000804060446 1219116565 /nfs/dbraw/zinc/11/65/65/1219116565.db2.gz RWKZEZUKCOPWLJ-HZMVEIRTSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000804060446 1219116571 /nfs/dbraw/zinc/11/65/71/1219116571.db2.gz RWKZEZUKCOPWLJ-HZMVEIRTSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000804060449 1219116670 /nfs/dbraw/zinc/11/66/70/1219116670.db2.gz RWKZEZUKCOPWLJ-VQHPVUNQSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000804060449 1219116673 /nfs/dbraw/zinc/11/66/73/1219116673.db2.gz RWKZEZUKCOPWLJ-VQHPVUNQSA-N 2 1 366.506 0.155 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001115873641 1221322977 /nfs/dbraw/zinc/32/29/77/1221322977.db2.gz NDMGAPRQRSAHBL-KRWDZBQOSA-N 2 1 373.501 0.896 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001115873642 1221323102 /nfs/dbraw/zinc/32/31/02/1221323102.db2.gz NDMGAPRQRSAHBL-QGZVFWFLSA-N 2 1 373.501 0.896 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)cn1 ZINC001118299634 1221754019 /nfs/dbraw/zinc/75/40/19/1221754019.db2.gz IKKVZSQOMYWGRD-UHFFFAOYSA-N 2 1 359.434 0.232 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001118865792 1221837397 /nfs/dbraw/zinc/83/73/97/1221837397.db2.gz SBKZUBNTTWZNFC-YLFCFFPRSA-N 2 1 362.449 0.944 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001118865792 1221837400 /nfs/dbraw/zinc/83/74/00/1221837400.db2.gz SBKZUBNTTWZNFC-YLFCFFPRSA-N 2 1 362.449 0.944 10 0 FCAEMP Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001119545446 1221930956 /nfs/dbraw/zinc/93/09/56/1221930956.db2.gz XWPDAMRNJYZNEU-WBVHZDCISA-N 2 1 359.478 0.882 10 0 FCAEMP C[C@@]1(F)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001119544238 1221931197 /nfs/dbraw/zinc/93/11/97/1221931197.db2.gz IIMMGKDNCWZDKS-JTDSTZFVSA-N 2 1 366.481 0.764 10 0 FCAEMP C[C@@]1(F)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001119544238 1221931202 /nfs/dbraw/zinc/93/12/02/1221931202.db2.gz IIMMGKDNCWZDKS-JTDSTZFVSA-N 2 1 366.481 0.764 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001119692089 1221951786 /nfs/dbraw/zinc/95/17/86/1221951786.db2.gz BZMOKKJIHJZAOA-YESZJQIVSA-N 2 1 366.506 0.345 10 0 FCAEMP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCC[N@H+]3CCC[C@@H]3C1)CC2 ZINC001119703381 1221953581 /nfs/dbraw/zinc/95/35/81/1221953581.db2.gz PFMNTYJVKXDYDB-HZPDHXFCSA-N 2 1 364.490 0.040 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001137922040 1222448904 /nfs/dbraw/zinc/44/89/04/1222448904.db2.gz DXBBWGJWANNQAD-UHFFFAOYSA-N 2 1 372.510 0.624 10 0 FCAEMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163071 1222487544 /nfs/dbraw/zinc/48/75/44/1222487544.db2.gz ALBSCVRBIUNOMR-GUDVDZBRSA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163071 1222487549 /nfs/dbraw/zinc/48/75/49/1222487549.db2.gz ALBSCVRBIUNOMR-GUDVDZBRSA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163071 1222487552 /nfs/dbraw/zinc/48/75/52/1222487552.db2.gz ALBSCVRBIUNOMR-GUDVDZBRSA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)C3)[C@H]2C1 ZINC000839776418 1222756882 /nfs/dbraw/zinc/75/68/82/1222756882.db2.gz KUSGNAVLOOELED-WXJALIKYSA-N 2 1 374.529 0.728 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)C2)C1 ZINC000839776418 1222756887 /nfs/dbraw/zinc/75/68/87/1222756887.db2.gz KUSGNAVLOOELED-WXJALIKYSA-N 2 1 374.529 0.728 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)C2)C1 ZINC000839776418 1222756893 /nfs/dbraw/zinc/75/68/93/1222756893.db2.gz KUSGNAVLOOELED-WXJALIKYSA-N 2 1 374.529 0.728 10 0 FCAEMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[NH+](C(C)C)C2)CC1=O ZINC001141738820 1222763939 /nfs/dbraw/zinc/76/39/39/1222763939.db2.gz BOACVOCDYXUDJM-IRXDYDNUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC001141738820 1222763943 /nfs/dbraw/zinc/76/39/43/1222763943.db2.gz BOACVOCDYXUDJM-IRXDYDNUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1=O ZINC001141738820 1222763949 /nfs/dbraw/zinc/76/39/49/1222763949.db2.gz BOACVOCDYXUDJM-IRXDYDNUSA-N 2 1 368.522 0.402 10 0 FCAEMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1C ZINC000843248663 1245328173 /nfs/dbraw/zinc/32/81/73/1245328173.db2.gz JXNXAASJMFCCIB-WCXIOVBPSA-N 2 1 368.522 0.495 10 0 FCAEMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1C ZINC000843248663 1245328174 /nfs/dbraw/zinc/32/81/74/1245328174.db2.gz JXNXAASJMFCCIB-WCXIOVBPSA-N 2 1 368.522 0.495 10 0 FCAEMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000843248663 1245328177 /nfs/dbraw/zinc/32/81/77/1245328177.db2.gz JXNXAASJMFCCIB-WCXIOVBPSA-N 2 1 368.522 0.495 10 0 FCAEMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000843248663 1245328180 /nfs/dbraw/zinc/32/81/80/1245328180.db2.gz JXNXAASJMFCCIB-WCXIOVBPSA-N 2 1 368.522 0.495 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000849515351 1245398036 /nfs/dbraw/zinc/39/80/36/1245398036.db2.gz DBQOQWSPDNMLQE-DLBZAZTESA-N 2 1 359.478 0.852 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n1C ZINC000849538677 1245399505 /nfs/dbraw/zinc/39/95/05/1245399505.db2.gz LXVCEFLIJLGMPO-HOTGVXAUSA-N 2 1 359.478 0.571 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n1C ZINC000849538677 1245399512 /nfs/dbraw/zinc/39/95/12/1245399512.db2.gz LXVCEFLIJLGMPO-HOTGVXAUSA-N 2 1 359.478 0.571 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](CCO)C(C)(C)C2)cn1 ZINC000849581947 1245403280 /nfs/dbraw/zinc/40/32/80/1245403280.db2.gz JSIXXFDORJDSLH-IRXDYDNUSA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](CCO)C(C)(C)C2)cn1 ZINC000849581947 1245403282 /nfs/dbraw/zinc/40/32/82/1245403282.db2.gz JSIXXFDORJDSLH-IRXDYDNUSA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cn1 ZINC000849581947 1245403288 /nfs/dbraw/zinc/40/32/88/1245403288.db2.gz JSIXXFDORJDSLH-IRXDYDNUSA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cn1 ZINC000849581947 1245403290 /nfs/dbraw/zinc/40/32/90/1245403290.db2.gz JSIXXFDORJDSLH-IRXDYDNUSA-N 2 1 363.506 0.371 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849606695 1245407444 /nfs/dbraw/zinc/40/74/44/1245407444.db2.gz CFUDCELUIFIBIB-ZWKOTPCHSA-N 2 1 364.538 0.455 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000918479215 1245579045 /nfs/dbraw/zinc/57/90/45/1245579045.db2.gz ZNCDOCBXYLAKFF-KRWDZBQOSA-N 2 1 373.501 0.977 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000918479215 1245579049 /nfs/dbraw/zinc/57/90/49/1245579049.db2.gz ZNCDOCBXYLAKFF-KRWDZBQOSA-N 2 1 373.501 0.977 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000918479215 1245579051 /nfs/dbraw/zinc/57/90/51/1245579051.db2.gz ZNCDOCBXYLAKFF-KRWDZBQOSA-N 2 1 373.501 0.977 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923412994 1245718043 /nfs/dbraw/zinc/71/80/43/1245718043.db2.gz CDTFEZIXTZVBRK-SHFYGJNESA-N 2 1 365.405 0.432 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923412996 1245718140 /nfs/dbraw/zinc/71/81/40/1245718140.db2.gz CDTFEZIXTZVBRK-SMKXDYDZSA-N 2 1 365.405 0.432 10 0 FCAEMP O[C@H]1CC[NH+](C2CCN(CCN3CCC([N@H+]4CC[C@H](O)C4)CC3)CC2)C1 ZINC001327914148 1265451930 /nfs/dbraw/zinc/45/19/30/1265451930.db2.gz VBFAYRQTMFMUFY-PMACEKPBSA-N 2 1 366.550 0.048 10 0 FCAEMP 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CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001565701948 1269490429 /nfs/dbraw/zinc/49/04/29/1269490429.db2.gz PWAQFZITZBBWDU-QZTJIDSGSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001565701948 1269490432 /nfs/dbraw/zinc/49/04/32/1269490432.db2.gz PWAQFZITZBBWDU-QZTJIDSGSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001565701948 1269490437 /nfs/dbraw/zinc/49/04/37/1269490437.db2.gz PWAQFZITZBBWDU-QZTJIDSGSA-N 2 1 352.523 0.630 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001565897290 1269508960 /nfs/dbraw/zinc/50/89/60/1269508960.db2.gz ZAIVOMPEVSFVGY-ZNMIVQPWSA-N 2 1 367.494 0.191 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001566020781 1269557421 /nfs/dbraw/zinc/55/74/21/1269557421.db2.gz SAOHLCFZAXLARN-DLBZAZTESA-N 2 1 368.522 0.593 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001566020781 1269557427 /nfs/dbraw/zinc/55/74/27/1269557427.db2.gz SAOHLCFZAXLARN-DLBZAZTESA-N 2 1 368.522 0.593 10 0 FCAEMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566052734 1269586042 /nfs/dbraw/zinc/58/60/42/1269586042.db2.gz KISHYYFQMTWMIM-BBWFWOEESA-N 2 1 371.547 0.543 10 0 FCAEMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566052734 1269586048 /nfs/dbraw/zinc/58/60/48/1269586048.db2.gz KISHYYFQMTWMIM-BBWFWOEESA-N 2 1 371.547 0.543 10 0 FCAEMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566052734 1269586053 /nfs/dbraw/zinc/58/60/53/1269586053.db2.gz KISHYYFQMTWMIM-BBWFWOEESA-N 2 1 371.547 0.543 10 0 FCAEMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566054213 1269588228 /nfs/dbraw/zinc/58/82/28/1269588228.db2.gz RGEPLXXXLKOSFQ-OAGGEKHMSA-N 2 1 357.520 0.153 10 0 FCAEMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566054213 1269588230 /nfs/dbraw/zinc/58/82/30/1269588230.db2.gz RGEPLXXXLKOSFQ-OAGGEKHMSA-N 2 1 357.520 0.153 10 0 FCAEMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCCS(C)(=O)=O)CC[C@@H]3C2)C1 ZINC001566054213 1269588232 /nfs/dbraw/zinc/58/82/32/1269588232.db2.gz RGEPLXXXLKOSFQ-OAGGEKHMSA-N 2 1 357.520 0.153 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001566457107 1269646114 /nfs/dbraw/zinc/64/61/14/1269646114.db2.gz SYTMRSUZPSFXBI-ZIAGYGMSSA-N 2 1 369.510 0.389 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)CC[NH+]1C ZINC001566457107 1269646120 /nfs/dbraw/zinc/64/61/20/1269646120.db2.gz SYTMRSUZPSFXBI-ZIAGYGMSSA-N 2 1 369.510 0.389 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)CC[NH+]1C ZINC001566457107 1269646124 /nfs/dbraw/zinc/64/61/24/1269646124.db2.gz SYTMRSUZPSFXBI-ZIAGYGMSSA-N 2 1 369.510 0.389 10 0 FCAEMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001566725048 1269660598 /nfs/dbraw/zinc/66/05/98/1269660598.db2.gz WAFNNUOYMOQPCO-SQNIBIBYSA-N 2 1 358.486 0.562 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC[C@H]4CCCO4)C[C@H]32)CC[N@H+]1C ZINC001566972001 1269671563 /nfs/dbraw/zinc/67/15/63/1269671563.db2.gz DIPVOUWVHQMFRT-QWFUGVESSA-N 2 1 365.518 0.959 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC[C@H]4CCCO4)C[C@H]32)CC[NH+]1C ZINC001566972001 1269671571 /nfs/dbraw/zinc/67/15/71/1269671571.db2.gz DIPVOUWVHQMFRT-QWFUGVESSA-N 2 1 365.518 0.959 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC[C@H]4CCCO4)C[C@H]32)CC[NH+]1C ZINC001566972001 1269671580 /nfs/dbraw/zinc/67/15/80/1269671580.db2.gz DIPVOUWVHQMFRT-QWFUGVESSA-N 2 1 365.518 0.959 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001567124129 1269678507 /nfs/dbraw/zinc/67/85/07/1269678507.db2.gz APOVGNGNTITTBO-QLFBSQMISA-N 2 1 360.462 0.193 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001342929655 1269683744 /nfs/dbraw/zinc/68/37/44/1269683744.db2.gz KUVBPYFUFMYWBA-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC(C)NC(=O)NCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567729798 1269703332 /nfs/dbraw/zinc/70/33/32/1269703332.db2.gz ODWZPGHIBOTLEN-IXDOHACOSA-N 2 1 367.538 0.815 10 0 FCAEMP CC(C)NC(=O)NCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567729798 1269703339 /nfs/dbraw/zinc/70/33/39/1269703339.db2.gz ODWZPGHIBOTLEN-IXDOHACOSA-N 2 1 367.538 0.815 10 0 FCAEMP CC(C)NC(=O)NCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567729798 1269703343 /nfs/dbraw/zinc/70/33/43/1269703343.db2.gz ODWZPGHIBOTLEN-IXDOHACOSA-N 2 1 367.538 0.815 10 0 FCAEMP CC(C)NC(=O)NCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567729797 1269704245 /nfs/dbraw/zinc/70/42/45/1269704245.db2.gz ODWZPGHIBOTLEN-BRWVUGGUSA-N 2 1 367.538 0.815 10 0 FCAEMP CC(C)NC(=O)NCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567729797 1269704247 /nfs/dbraw/zinc/70/42/47/1269704247.db2.gz ODWZPGHIBOTLEN-BRWVUGGUSA-N 2 1 367.538 0.815 10 0 FCAEMP CC(C)NC(=O)NCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567729797 1269704249 /nfs/dbraw/zinc/70/42/49/1269704249.db2.gz ODWZPGHIBOTLEN-BRWVUGGUSA-N 2 1 367.538 0.815 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCN2CCNC2=O)C2CC2)CC[N@H+]1C ZINC001568019826 1269717100 /nfs/dbraw/zinc/71/71/00/1269717100.db2.gz JKVZSHHLDUHOKW-SIIHOXLZSA-N 2 1 351.495 0.226 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001568853728 1269750401 /nfs/dbraw/zinc/75/04/01/1269750401.db2.gz NHLUFPYUGWOHOR-AXLMZEGOSA-N 2 1 371.547 0.804 10 0 FCAEMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568851503 1269751041 /nfs/dbraw/zinc/75/10/41/1269751041.db2.gz GAOFYJRQGBPTHB-XQIWKARSSA-N 2 1 367.494 0.211 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001569401609 1269780705 /nfs/dbraw/zinc/78/07/05/1269780705.db2.gz XYJQGORCMJZRDA-UONOGXRCSA-N 2 1 367.494 0.191 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001569982394 1269826929 /nfs/dbraw/zinc/82/69/29/1269826929.db2.gz UIHYBNBRVCCTBJ-OWCLPIDISA-N 2 1 366.485 0.916 10 0 FCAEMP Cc1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001570283521 1269862740 /nfs/dbraw/zinc/86/27/40/1269862740.db2.gz QKWZMKOOCYDFEI-QGPMSJSTSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001570283521 1269862749 /nfs/dbraw/zinc/86/27/49/1269862749.db2.gz QKWZMKOOCYDFEI-QGPMSJSTSA-N 2 1 350.463 0.766 10 0 FCAEMP CCn1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001570283672 1269862954 /nfs/dbraw/zinc/86/29/54/1269862954.db2.gz SNZPBNYUSOAQPE-SZVBFZGTSA-N 2 1 363.506 0.686 10 0 FCAEMP CCn1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001570283672 1269862963 /nfs/dbraw/zinc/86/29/63/1269862963.db2.gz SNZPBNYUSOAQPE-SZVBFZGTSA-N 2 1 363.506 0.686 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)CC2(C)C)CC[N@@H+]1C ZINC001570393301 1269874719 /nfs/dbraw/zinc/87/47/19/1269874719.db2.gz GMPVBJRWLLWPQV-MJBXVCDLSA-N 2 1 367.494 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)CC2(C)C)CC[N@H+]1C ZINC001570393301 1269874731 /nfs/dbraw/zinc/87/47/31/1269874731.db2.gz GMPVBJRWLLWPQV-MJBXVCDLSA-N 2 1 367.494 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)CC2(C)C)CC[NH+]1C ZINC001570393301 1269874743 /nfs/dbraw/zinc/87/47/43/1269874743.db2.gz GMPVBJRWLLWPQV-MJBXVCDLSA-N 2 1 367.494 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)CC2(C)C)CC[NH+]1C ZINC001570393301 1269874752 /nfs/dbraw/zinc/87/47/52/1269874752.db2.gz GMPVBJRWLLWPQV-MJBXVCDLSA-N 2 1 367.494 0.128 10 0 FCAEMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001571387784 1269930773 /nfs/dbraw/zinc/93/07/73/1269930773.db2.gz CABSJVJXRIJXEC-SQWLQELKSA-N 2 1 354.495 0.058 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCc2scnc2C)CC[N@H+]1C ZINC001571429380 1269932528 /nfs/dbraw/zinc/93/25/28/1269932528.db2.gz BXURMOMTTXNFJP-SOUVJXGZSA-N 2 1 354.520 0.791 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cn(C)nc2C(F)F)CC[N@H+]1C ZINC001571429739 1269932641 /nfs/dbraw/zinc/93/26/41/1269932641.db2.gz JVIXUTGMAAGLGY-KGYLQXTDSA-N 2 1 359.421 0.265 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCc2cnn(C)c2)CC[N@H+]1C ZINC001571602013 1269944520 /nfs/dbraw/zinc/94/45/20/1269944520.db2.gz XMRFQZNGXLWUGU-OKZBNKHCSA-N 2 1 365.522 0.444 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCc2cnn(C)c2)CC[NH+]1C ZINC001571602013 1269944526 /nfs/dbraw/zinc/94/45/26/1269944526.db2.gz XMRFQZNGXLWUGU-OKZBNKHCSA-N 2 1 365.522 0.444 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCc2cnn(C)c2)CC[NH+]1C ZINC001571602013 1269944531 /nfs/dbraw/zinc/94/45/31/1269944531.db2.gz XMRFQZNGXLWUGU-OKZBNKHCSA-N 2 1 365.522 0.444 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)[C@@H]2CCC(=O)NC2=O)C(C)C)CC[N@@H+]1C ZINC001571612223 1269946357 /nfs/dbraw/zinc/94/63/57/1269946357.db2.gz BRLXYADPJJWOAC-ARFHVFGLSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)[C@@H]2CCC(=O)NC2=O)C(C)C)CC[N@H+]1C ZINC001571612223 1269946364 /nfs/dbraw/zinc/94/63/64/1269946364.db2.gz BRLXYADPJJWOAC-ARFHVFGLSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[N@H+](C)[C@@H]2CCC(=O)NC2=O)C(C)C)CC[NH+]1C ZINC001571612223 1269946369 /nfs/dbraw/zinc/94/63/69/1269946369.db2.gz BRLXYADPJJWOAC-ARFHVFGLSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)C(C)C)CC[NH+]1C ZINC001571612223 1269946373 /nfs/dbraw/zinc/94/63/73/1269946373.db2.gz BRLXYADPJJWOAC-ARFHVFGLSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001344066468 1270086741 /nfs/dbraw/zinc/08/67/41/1270086741.db2.gz PIUFULPSKVZKPD-BZUAXINKSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001344066468 1270086766 /nfs/dbraw/zinc/08/67/66/1270086766.db2.gz PIUFULPSKVZKPD-BZUAXINKSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001344066468 1270086777 /nfs/dbraw/zinc/08/67/77/1270086777.db2.gz PIUFULPSKVZKPD-BZUAXINKSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001344066468 1270086785 /nfs/dbraw/zinc/08/67/85/1270086785.db2.gz PIUFULPSKVZKPD-BZUAXINKSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+](C)C(C)C)C1 ZINC001344114930 1270100340 /nfs/dbraw/zinc/10/03/40/1270100340.db2.gz WIWKXHYEHUVATP-ZACQAIPSSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[NH+](C)C(C)C)C1 ZINC001344114930 1270100345 /nfs/dbraw/zinc/10/03/45/1270100345.db2.gz WIWKXHYEHUVATP-ZACQAIPSSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)C1 ZINC001344114930 1270100349 /nfs/dbraw/zinc/10/03/49/1270100349.db2.gz WIWKXHYEHUVATP-ZACQAIPSSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001344114930 1270100352 /nfs/dbraw/zinc/10/03/52/1270100352.db2.gz WIWKXHYEHUVATP-ZACQAIPSSA-N 2 1 368.522 0.591 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001344279595 1270128770 /nfs/dbraw/zinc/12/87/70/1270128770.db2.gz PNAFKGQIHICSMK-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001344279595 1270128774 /nfs/dbraw/zinc/12/87/74/1270128774.db2.gz PNAFKGQIHICSMK-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001572817016 1270186154 /nfs/dbraw/zinc/18/61/54/1270186154.db2.gz KKMZEJHFVRCWKX-GVDBMIGSSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001573005039 1270488100 /nfs/dbraw/zinc/48/81/00/1270488100.db2.gz ZMYOHTLRXUEZMT-RYRKJORJSA-N 2 1 370.538 0.381 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001573060855 1270581358 /nfs/dbraw/zinc/58/13/58/1270581358.db2.gz JLEOQMFQMQMFEN-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001573060855 1270581362 /nfs/dbraw/zinc/58/13/62/1270581362.db2.gz JLEOQMFQMQMFEN-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001573060855 1270581364 /nfs/dbraw/zinc/58/13/64/1270581364.db2.gz JLEOQMFQMQMFEN-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]21 ZINC001573068866 1270590395 /nfs/dbraw/zinc/59/03/95/1270590395.db2.gz BCOUKPPQAWPOIC-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC001573068866 1270590401 /nfs/dbraw/zinc/59/04/01/1270590401.db2.gz BCOUKPPQAWPOIC-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC001573068866 1270590404 /nfs/dbraw/zinc/59/04/04/1270590404.db2.gz BCOUKPPQAWPOIC-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001573500442 1270797557 /nfs/dbraw/zinc/79/75/57/1270797557.db2.gz HCMIGDHGNFKWKI-PVAVHDDUSA-N 2 1 350.507 0.774 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001573727015 1270861894 /nfs/dbraw/zinc/86/18/94/1270861894.db2.gz IDTLIUPBONEWNC-QFBILLFUSA-N 2 1 361.490 0.840 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC[NH+](C)C)C1 ZINC001574595324 1271395576 /nfs/dbraw/zinc/39/55/76/1271395576.db2.gz GRCLQRPVCUUZEA-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCC[NH+](C)C)C1 ZINC001574595325 1271396044 /nfs/dbraw/zinc/39/60/44/1271396044.db2.gz GRCLQRPVCUUZEA-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001579151399 1276889910 /nfs/dbraw/zinc/88/99/10/1276889910.db2.gz BHFHOUUWPQJPKY-JLOCXQCDSA-N 2 1 350.507 0.632 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001579151399 1276889921 /nfs/dbraw/zinc/88/99/21/1276889921.db2.gz BHFHOUUWPQJPKY-JLOCXQCDSA-N 2 1 350.507 0.632 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001579151399 1276889940 /nfs/dbraw/zinc/88/99/40/1276889940.db2.gz BHFHOUUWPQJPKY-JLOCXQCDSA-N 2 1 350.507 0.632 10 0 FCAEMP C[C@H](O)CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713068292 1287262575 /nfs/dbraw/zinc/26/25/75/1287262575.db2.gz QORBMNIDDNMHNV-RCCFBDPRSA-N 2 1 354.539 0.612 10 0 FCAEMP C[C@H](O)CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713068292 1287262578 /nfs/dbraw/zinc/26/25/78/1287262578.db2.gz QORBMNIDDNMHNV-RCCFBDPRSA-N 2 1 354.539 0.612 10 0 FCAEMP C[C@H](O)CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713068292 1287262581 /nfs/dbraw/zinc/26/25/81/1287262581.db2.gz QORBMNIDDNMHNV-RCCFBDPRSA-N 2 1 354.539 0.612 10 0 FCAEMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713281914 1287272638 /nfs/dbraw/zinc/27/26/38/1287272638.db2.gz QOZIXSHMXKFZBA-OAEZHTQQSA-N 2 1 350.507 0.534 10 0 FCAEMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713281914 1287272640 /nfs/dbraw/zinc/27/26/40/1287272640.db2.gz QOZIXSHMXKFZBA-OAEZHTQQSA-N 2 1 350.507 0.534 10 0 FCAEMP CC(C)[C@@H](C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713281914 1287272642 /nfs/dbraw/zinc/27/26/42/1287272642.db2.gz QOZIXSHMXKFZBA-OAEZHTQQSA-N 2 1 350.507 0.534 10 0 FCAEMP CC(C)[C@@H](C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713281914 1287272643 /nfs/dbraw/zinc/27/26/43/1287272643.db2.gz QOZIXSHMXKFZBA-OAEZHTQQSA-N 2 1 350.507 0.534 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001713310701 1287272845 /nfs/dbraw/zinc/27/28/45/1287272845.db2.gz AAISXMQTAVKRJD-SOUVJXGZSA-N 2 1 365.526 0.795 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCN2CCNC2=O)C2CC2)CC[N@H+]1C ZINC001713557156 1287285121 /nfs/dbraw/zinc/28/51/21/1287285121.db2.gz KFPWOYFCQXJELN-JKSUJKDBSA-N 2 1 351.495 0.323 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CCN2CCNC2=O)C2CC2)CC[NH+]1C ZINC001713557156 1287285128 /nfs/dbraw/zinc/28/51/28/1287285128.db2.gz KFPWOYFCQXJELN-JKSUJKDBSA-N 2 1 351.495 0.323 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CCN2CCNC2=O)C2CC2)CC[NH+]1C ZINC001713557156 1287285144 /nfs/dbraw/zinc/28/51/44/1287285144.db2.gz KFPWOYFCQXJELN-JKSUJKDBSA-N 2 1 351.495 0.323 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001713592755 1287287139 /nfs/dbraw/zinc/28/71/39/1287287139.db2.gz GTNVQUNHRHFWCQ-RHSMWYFYSA-N 2 1 364.465 0.830 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001714235140 1287316365 /nfs/dbraw/zinc/31/63/65/1287316365.db2.gz PKODTPIKQBTMPJ-RWMBFGLXSA-N 2 1 366.428 0.880 10 0 FCAEMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)NC1CC1 ZINC001714275044 1287318076 /nfs/dbraw/zinc/31/80/76/1287318076.db2.gz QLXDHDQBKBDCQO-QGTPRVQTSA-N 2 1 358.486 0.705 10 0 FCAEMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1ccco1 ZINC001714469753 1287322668 /nfs/dbraw/zinc/32/26/68/1287322668.db2.gz RJBJBVPECRXYQE-SQWLQELKSA-N 2 1 350.463 0.720 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)N(C)C2CC2)C2CC2)CC[N@@H+]1C ZINC001714664563 1287330182 /nfs/dbraw/zinc/33/01/82/1287330182.db2.gz GGDIBWFKCXOILT-DLBZAZTESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001714664563 1287330183 /nfs/dbraw/zinc/33/01/83/1287330183.db2.gz GGDIBWFKCXOILT-DLBZAZTESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC(=O)N(C)C2CC2)C2CC2)CC[NH+]1C ZINC001714664563 1287330184 /nfs/dbraw/zinc/33/01/84/1287330184.db2.gz GGDIBWFKCXOILT-DLBZAZTESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC(=O)N(C)C2CC2)C2CC2)CC[NH+]1C ZINC001714664563 1287330185 /nfs/dbraw/zinc/33/01/85/1287330185.db2.gz GGDIBWFKCXOILT-DLBZAZTESA-N 2 1 350.507 0.918 10 0 FCAEMP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714607132 1287328087 /nfs/dbraw/zinc/32/80/87/1287328087.db2.gz MBMKEHQIKILPRN-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001714607132 1287328089 /nfs/dbraw/zinc/32/80/89/1287328089.db2.gz MBMKEHQIKILPRN-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714607132 1287328091 /nfs/dbraw/zinc/32/80/91/1287328091.db2.gz MBMKEHQIKILPRN-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714607132 1287328094 /nfs/dbraw/zinc/32/80/94/1287328094.db2.gz MBMKEHQIKILPRN-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001715234012 1287347984 /nfs/dbraw/zinc/34/79/84/1287347984.db2.gz TUWCESVJVKXYFI-FRRDWIJNSA-N 2 1 366.428 0.737 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N2CCOCC2)C(C)C)CC[N@H+]1C ZINC001715563454 1287354925 /nfs/dbraw/zinc/35/49/25/1287354925.db2.gz RRFDLASJKMKORD-GVDBMIGSSA-N 2 1 368.522 0.306 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2c(C)nn(C)c2Cl)CC[N@H+]1C ZINC001715588754 1287356546 /nfs/dbraw/zinc/35/65/46/1287356546.db2.gz WYHLQLDMUNGDQT-VNHYZAJKSA-N 2 1 371.913 0.679 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001715645369 1287359386 /nfs/dbraw/zinc/35/93/86/1287359386.db2.gz HMZDMFVZMYNJLC-FRRDWIJNSA-N 2 1 368.507 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001715929098 1287364655 /nfs/dbraw/zinc/36/46/55/1287364655.db2.gz BCJHABPVUTZXLD-HZSPNIEDSA-N 2 1 367.494 0.141 10 0 FCAEMP Cc1nnc(NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001715975902 1287365907 /nfs/dbraw/zinc/36/59/07/1287365907.db2.gz IOZSTZRUUWOHRA-HOSYDEDBSA-N 2 1 354.480 0.220 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001716033142 1287368659 /nfs/dbraw/zinc/36/86/59/1287368659.db2.gz ZMTULIIHEDPCNX-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001716033142 1287368661 /nfs/dbraw/zinc/36/86/61/1287368661.db2.gz ZMTULIIHEDPCNX-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001716033142 1287368664 /nfs/dbraw/zinc/36/86/64/1287368664.db2.gz ZMTULIIHEDPCNX-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001716033142 1287368666 /nfs/dbraw/zinc/36/86/66/1287368666.db2.gz ZMTULIIHEDPCNX-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CCc1onc(C)c1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001716087869 1287369981 /nfs/dbraw/zinc/36/99/81/1287369981.db2.gz OTZNLTDDEIVJKX-OFQRWUPVSA-N 2 1 352.479 0.842 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716143762 1287372979 /nfs/dbraw/zinc/37/29/79/1287372979.db2.gz ZVJJKGCHJAFHLX-BFHYXJOUSA-N 2 1 355.483 0.047 10 0 FCAEMP 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CN1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)[C@H]1c1ccccc1 ZINC000288064533 488939437 /nfs/dbraw/zinc/93/94/37/488939437.db2.gz ADXQBFBBJUAQSY-QZTJIDSGSA-N 2 1 356.470 0.855 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC[N@H+]1C[C@@H](C)O ZINC000184735323 488397409 /nfs/dbraw/zinc/39/74/09/488397409.db2.gz JQTHFWDZSJGGKX-KZNAEPCWSA-N 2 1 370.538 0.830 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000184735323 488397411 /nfs/dbraw/zinc/39/74/11/488397411.db2.gz JQTHFWDZSJGGKX-KZNAEPCWSA-N 2 1 370.538 0.830 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000184735323 488397413 /nfs/dbraw/zinc/39/74/13/488397413.db2.gz JQTHFWDZSJGGKX-KZNAEPCWSA-N 2 1 370.538 0.830 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCOCC2)CC1 ZINC000075969097 488400661 /nfs/dbraw/zinc/40/06/61/488400661.db2.gz QVDNZYRGULPRQL-SFHVURJKSA-N 2 1 352.523 0.774 10 0 FCAEMP Cc1c([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000193137936 488426310 /nfs/dbraw/zinc/42/63/10/488426310.db2.gz PKUBGXJRSGCKPC-GOEBONIOSA-N 2 1 351.495 0.852 10 0 FCAEMP CC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000246891658 488477672 /nfs/dbraw/zinc/47/76/72/488477672.db2.gz RHGJGLSHJAEMCG-QZTJIDSGSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246891658 488477674 /nfs/dbraw/zinc/47/76/74/488477674.db2.gz RHGJGLSHJAEMCG-QZTJIDSGSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246891658 488477676 /nfs/dbraw/zinc/47/76/76/488477676.db2.gz RHGJGLSHJAEMCG-QZTJIDSGSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN[C@H](CCO)c2ccco2)C1 ZINC000248976553 488504550 /nfs/dbraw/zinc/50/45/50/488504550.db2.gz HTPWSQCSJZMIHT-HZPDHXFCSA-N 2 1 353.463 0.766 10 0 FCAEMP C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)CCN2CCCC2)C[C@H](C)O1 ZINC000249126416 488507109 /nfs/dbraw/zinc/50/71/09/488507109.db2.gz CJIMSCLGGTUEIL-IXDOHACOSA-N 2 1 359.536 0.986 10 0 FCAEMP CC[C@]1(CO)CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000249550346 488511490 /nfs/dbraw/zinc/51/14/90/488511490.db2.gz HSIZZOXLWZCQAN-HKUYNNGSSA-N 2 1 355.523 0.944 10 0 FCAEMP CC[C@]1(CO)CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000249550346 488511491 /nfs/dbraw/zinc/51/14/91/488511491.db2.gz HSIZZOXLWZCQAN-HKUYNNGSSA-N 2 1 355.523 0.944 10 0 FCAEMP CC[C@]1(CO)CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000249550346 488511493 /nfs/dbraw/zinc/51/14/93/488511493.db2.gz HSIZZOXLWZCQAN-HKUYNNGSSA-N 2 1 355.523 0.944 10 0 FCAEMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106125169 488512138 /nfs/dbraw/zinc/51/21/38/488512138.db2.gz WEIXSDJSEBUOLB-HUUCEWRRSA-N 2 1 356.511 0.881 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000111811684 488531716 /nfs/dbraw/zinc/53/17/16/488531716.db2.gz SOQVWDGVNFUAGK-IRXDYDNUSA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000111811684 488531719 /nfs/dbraw/zinc/53/17/19/488531719.db2.gz SOQVWDGVNFUAGK-IRXDYDNUSA-N 2 1 356.511 0.753 10 0 FCAEMP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261865799 488539071 /nfs/dbraw/zinc/53/90/71/488539071.db2.gz CQKWIGAAILWEDZ-GVDBMIGSSA-N 2 1 353.488 0.712 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261908209 488540965 /nfs/dbraw/zinc/54/09/65/488540965.db2.gz SQFOOJOBSUJFNE-OAHLLOKOSA-N 2 1 360.458 0.830 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024284 488546427 /nfs/dbraw/zinc/54/64/27/488546427.db2.gz OZGVAYQWPYCJAC-XHSDSOJGSA-N 2 1 350.507 0.905 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2F)CC1 ZINC000262054429 488548145 /nfs/dbraw/zinc/54/81/45/488548145.db2.gz AJOYHBOKCXGQCA-YOEHRIQHSA-N 2 1 350.438 0.278 10 0 FCAEMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000262247661 488559834 /nfs/dbraw/zinc/55/98/34/488559834.db2.gz WPBCCOHLYQLMAD-INIZCTEOSA-N 2 1 366.531 0.875 10 0 FCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000263278720 488608969 /nfs/dbraw/zinc/60/89/69/488608969.db2.gz TWVUZBMTVKGHSM-HOCLYGCPSA-N 2 1 358.442 0.918 10 0 FCAEMP CCC1(CO)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000128351670 488623753 /nfs/dbraw/zinc/62/37/53/488623753.db2.gz RHVCUFFACPHLRZ-KRWDZBQOSA-N 2 1 355.523 0.944 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCNC(=O)C(C)C)C1 ZINC000157732439 488773022 /nfs/dbraw/zinc/77/30/22/488773022.db2.gz UTMPBYDGOGZRBH-MRXNPFEDSA-N 2 1 356.511 0.163 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN(C)CCNC(=O)C(C)C)C1 ZINC000157732439 488773025 /nfs/dbraw/zinc/77/30/25/488773025.db2.gz UTMPBYDGOGZRBH-MRXNPFEDSA-N 2 1 356.511 0.163 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000570170699 491221589 /nfs/dbraw/zinc/22/15/89/491221589.db2.gz WBSVJQHOJQKNAD-QGZVFWFLSA-N 2 1 368.522 0.546 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000167814734 488812503 /nfs/dbraw/zinc/81/25/03/488812503.db2.gz JIPNHRQMBOTLGV-IAGOWNOFSA-N 2 1 350.507 0.907 10 0 FCAEMP CCOCC[N@@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1C ZINC000168037718 488812604 /nfs/dbraw/zinc/81/26/04/488812604.db2.gz XZPDHLXECWQQCE-AWEZNQCLSA-N 2 1 350.467 0.385 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H]1C ZINC000168037718 488812606 /nfs/dbraw/zinc/81/26/06/488812606.db2.gz XZPDHLXECWQQCE-AWEZNQCLSA-N 2 1 350.467 0.385 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000170745421 488816201 /nfs/dbraw/zinc/81/62/01/488816201.db2.gz NPOKBAWYYMQNPZ-ROUUACIJSA-N 2 1 352.523 0.630 10 0 FCAEMP O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903882 488828255 /nfs/dbraw/zinc/82/82/55/488828255.db2.gz GRWLGCXGIJCWBH-NVXWUHKLSA-N 2 1 354.520 0.684 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000175803562 488855613 /nfs/dbraw/zinc/85/56/13/488855613.db2.gz OPAJPBQWXBKMQV-DLBZAZTESA-N 2 1 355.527 0.232 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000175778969 488855713 /nfs/dbraw/zinc/85/57/13/488855713.db2.gz UAAMDFWFWALYML-QZTJIDSGSA-N 2 1 369.554 0.622 10 0 FCAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000177058378 488859189 /nfs/dbraw/zinc/85/91/89/488859189.db2.gz BCNLHJQOOLSOOF-IAGOWNOFSA-N 2 1 360.506 0.930 10 0 FCAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000177058378 488859190 /nfs/dbraw/zinc/85/91/90/488859190.db2.gz BCNLHJQOOLSOOF-IAGOWNOFSA-N 2 1 360.506 0.930 10 0 FCAEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CCN(c3ncccn3)CC2)CC[NH+]1C ZINC000177058378 488859191 /nfs/dbraw/zinc/85/91/91/488859191.db2.gz BCNLHJQOOLSOOF-IAGOWNOFSA-N 2 1 360.506 0.930 10 0 FCAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCN(c3ncccn3)CC2)CC[NH+]1C ZINC000177058378 488859192 /nfs/dbraw/zinc/85/91/92/488859192.db2.gz BCNLHJQOOLSOOF-IAGOWNOFSA-N 2 1 360.506 0.930 10 0 FCAEMP C[C@H](CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C[NH+]1CCOCC1 ZINC000181809605 488863747 /nfs/dbraw/zinc/86/37/47/488863747.db2.gz CSDWMCXSFLNDPQ-SJORKVTESA-N 2 1 370.538 0.689 10 0 FCAEMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000282999756 489205373 /nfs/dbraw/zinc/20/53/73/489205373.db2.gz AMOGXWBYGUONIC-OTWHNJEPSA-N 2 1 372.513 0.971 10 0 FCAEMP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC000570426717 491240540 /nfs/dbraw/zinc/24/05/40/491240540.db2.gz XJFAGUAGSXKZOP-SJORKVTESA-N 2 1 368.522 0.728 10 0 FCAEMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000369859740 489282592 /nfs/dbraw/zinc/28/25/92/489282592.db2.gz CQODSZAOMWDZMT-ROUUACIJSA-N 2 1 363.506 0.049 10 0 FCAEMP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000370101604 489315756 /nfs/dbraw/zinc/31/57/56/489315756.db2.gz LKHUMSWGVPRWGD-HNNXBMFYSA-N 2 1 364.494 1.070 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000370138987 489320035 /nfs/dbraw/zinc/32/00/35/489320035.db2.gz AYBXGYUSJJUELQ-UHFFFAOYSA-N 2 1 351.495 0.513 10 0 FCAEMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000563429606 491243997 /nfs/dbraw/zinc/24/39/97/491243997.db2.gz SOFNOOCUNMOYKC-HNNXBMFYSA-N 2 1 360.458 0.186 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000563459585 491249527 /nfs/dbraw/zinc/24/95/27/491249527.db2.gz XRZUCFMSSXHDNL-GOEBONIOSA-N 2 1 365.522 0.901 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000563540984 491253846 /nfs/dbraw/zinc/25/38/46/491253846.db2.gz BQVFSQMUKBIXNH-JKSUJKDBSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000563623565 491259191 /nfs/dbraw/zinc/25/91/91/491259191.db2.gz JFLJJUDPPAEZPT-QAPCUYQASA-N 2 1 358.486 0.871 10 0 FCAEMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]C)CC2)C[C@@H]1CC ZINC000423269364 489509766 /nfs/dbraw/zinc/50/97/66/489509766.db2.gz FOYQJMXGXYMCGE-INIZCTEOSA-N 2 1 354.495 0.156 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCC([NH2+]C)CC2)C[C@@H]1CC ZINC000423269364 489509767 /nfs/dbraw/zinc/50/97/67/489509767.db2.gz FOYQJMXGXYMCGE-INIZCTEOSA-N 2 1 354.495 0.156 10 0 FCAEMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451793722 489524418 /nfs/dbraw/zinc/52/44/18/489524418.db2.gz WHSDVJVGXSJTEV-ZACQAIPSSA-N 2 1 369.506 0.781 10 0 FCAEMP C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000451881392 489527398 /nfs/dbraw/zinc/52/73/98/489527398.db2.gz PQNQXOOWZDJEBN-AWEZNQCLSA-N 2 1 350.429 0.967 10 0 FCAEMP C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000451881392 489527401 /nfs/dbraw/zinc/52/74/01/489527401.db2.gz PQNQXOOWZDJEBN-AWEZNQCLSA-N 2 1 350.429 0.967 10 0 FCAEMP CN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C1C[NH2+]C1 ZINC000415729633 489547435 /nfs/dbraw/zinc/54/74/35/489547435.db2.gz CSLHLRXKNOOVFO-UHFFFAOYSA-N 2 1 369.263 0.879 10 0 FCAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000563694168 491263685 /nfs/dbraw/zinc/26/36/85/491263685.db2.gz CDULPFFUANYCFA-APWZRJJASA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1=O ZINC000372585930 489604496 /nfs/dbraw/zinc/60/44/96/489604496.db2.gz SBAMUENVNHWTFT-VYDXJSESSA-N 2 1 365.522 0.663 10 0 FCAEMP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1=O ZINC000372585930 489604498 /nfs/dbraw/zinc/60/44/98/489604498.db2.gz SBAMUENVNHWTFT-VYDXJSESSA-N 2 1 365.522 0.663 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416958116 489636297 /nfs/dbraw/zinc/63/62/97/489636297.db2.gz SWQPFYPTAXXAGK-HZPDHXFCSA-N 2 1 361.494 0.286 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417384339 489651130 /nfs/dbraw/zinc/65/11/30/489651130.db2.gz KZBILTLWPHRNFH-FUHWJXTLSA-N 2 1 360.506 0.891 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)N1CCN(CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457619839 489651824 /nfs/dbraw/zinc/65/18/24/489651824.db2.gz POSGKCSYNQVPID-AEFFLSMTSA-N 2 1 370.538 0.831 10 0 FCAEMP CCC(CC)[C@@H](CNC(=O)N1CCN(CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457619851 489652007 /nfs/dbraw/zinc/65/20/07/489652007.db2.gz POSGKCSYNQVPID-SJLPKXTDSA-N 2 1 370.538 0.831 10 0 FCAEMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457641333 489652534 /nfs/dbraw/zinc/65/25/34/489652534.db2.gz SFZAEFWBVLMOTI-QGZVFWFLSA-N 2 1 355.527 0.158 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457641333 489652537 /nfs/dbraw/zinc/65/25/37/489652537.db2.gz SFZAEFWBVLMOTI-QGZVFWFLSA-N 2 1 355.527 0.158 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000457641333 489652539 /nfs/dbraw/zinc/65/25/39/489652539.db2.gz SFZAEFWBVLMOTI-QGZVFWFLSA-N 2 1 355.527 0.158 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000457649311 489653447 /nfs/dbraw/zinc/65/34/47/489653447.db2.gz OACIUWUJCZLSDV-MRXNPFEDSA-N 2 1 364.490 0.835 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000457649311 489653448 /nfs/dbraw/zinc/65/34/48/489653448.db2.gz OACIUWUJCZLSDV-MRXNPFEDSA-N 2 1 364.490 0.835 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417434523 489653476 /nfs/dbraw/zinc/65/34/76/489653476.db2.gz XHNRCWNHBYGECY-OLZOCXBDSA-N 2 1 361.437 0.226 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458244531 489675225 /nfs/dbraw/zinc/67/52/25/489675225.db2.gz UBQMEUUPPJTPRR-QGZVFWFLSA-N 2 1 356.511 0.633 10 0 FCAEMP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000373178809 489676982 /nfs/dbraw/zinc/67/69/82/489676982.db2.gz IRZNTSGVTKNLGE-SJLPKXTDSA-N 2 1 371.522 0.275 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418369878 489694118 /nfs/dbraw/zinc/69/41/18/489694118.db2.gz VAVDAMRKOPUZNZ-MRXNPFEDSA-N 2 1 353.511 0.700 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000418609498 489709695 /nfs/dbraw/zinc/70/96/95/489709695.db2.gz FQPHSWJLXSKJDQ-HZSPNIEDSA-N 2 1 365.444 0.947 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459628069 489742055 /nfs/dbraw/zinc/74/20/55/489742055.db2.gz FKSCCTGZMMBDBQ-KPFFTGBYSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459628069 489742063 /nfs/dbraw/zinc/74/20/63/489742063.db2.gz FKSCCTGZMMBDBQ-KPFFTGBYSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](O)(CO)C1 ZINC000459628069 489742068 /nfs/dbraw/zinc/74/20/68/489742068.db2.gz FKSCCTGZMMBDBQ-KPFFTGBYSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](O)(CO)C1 ZINC000459628069 489742073 /nfs/dbraw/zinc/74/20/73/489742073.db2.gz FKSCCTGZMMBDBQ-KPFFTGBYSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459628070 489742599 /nfs/dbraw/zinc/74/25/99/489742599.db2.gz FKSCCTGZMMBDBQ-POAQFYNOSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459628070 489742602 /nfs/dbraw/zinc/74/26/02/489742602.db2.gz FKSCCTGZMMBDBQ-POAQFYNOSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](O)(CO)C1 ZINC000459628070 489742605 /nfs/dbraw/zinc/74/26/05/489742605.db2.gz FKSCCTGZMMBDBQ-POAQFYNOSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@](O)(CO)C1 ZINC000459628070 489742608 /nfs/dbraw/zinc/74/26/08/489742608.db2.gz FKSCCTGZMMBDBQ-POAQFYNOSA-N 2 1 361.486 0.585 10 0 FCAEMP O=C(CNc1cc[nH+]c(N2CCOCC2)n1)NCC[NH+]1CCCCCC1 ZINC000431501536 489808733 /nfs/dbraw/zinc/80/87/33/489808733.db2.gz XXKSWNBSZMRLCL-UHFFFAOYSA-N 2 1 362.478 0.717 10 0 FCAEMP C[N@@H+](CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000419008221 489816431 /nfs/dbraw/zinc/81/64/31/489816431.db2.gz VHGBROBOAKDUNZ-HDICACEKSA-N 2 1 358.486 0.978 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419043755 489832203 /nfs/dbraw/zinc/83/22/03/489832203.db2.gz ROZJQWNAYFKNAH-GUYCJALGSA-N 2 1 371.441 0.544 10 0 FCAEMP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419099693 489854816 /nfs/dbraw/zinc/85/48/16/489854816.db2.gz IHVYDBNAQBDOJC-INIZCTEOSA-N 2 1 360.458 0.379 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419099693 489854822 /nfs/dbraw/zinc/85/48/22/489854822.db2.gz IHVYDBNAQBDOJC-INIZCTEOSA-N 2 1 360.458 0.379 10 0 FCAEMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419109158 489857427 /nfs/dbraw/zinc/85/74/27/489857427.db2.gz AMWIJRDZFQPLKM-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000420090145 489908506 /nfs/dbraw/zinc/90/85/06/489908506.db2.gz FZKYAYWXGSHQBR-AWEZNQCLSA-N 2 1 362.474 0.238 10 0 FCAEMP CCC[C@]1(CO)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503153 489912602 /nfs/dbraw/zinc/91/26/02/489912602.db2.gz BCRJVEBHNXXSSE-HKUYNNGSSA-N 2 1 355.523 0.944 10 0 FCAEMP CCC[C@]1(CO)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000377503153 489912603 /nfs/dbraw/zinc/91/26/03/489912603.db2.gz BCRJVEBHNXXSSE-HKUYNNGSSA-N 2 1 355.523 0.944 10 0 FCAEMP CCC[C@]1(CO)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000377503153 489912607 /nfs/dbraw/zinc/91/26/07/489912607.db2.gz BCRJVEBHNXXSSE-HKUYNNGSSA-N 2 1 355.523 0.944 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420105820 489914099 /nfs/dbraw/zinc/91/40/99/489914099.db2.gz SYOJBLNGYCKSLG-WMZOPIPTSA-N 2 1 358.486 0.488 10 0 FCAEMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@H]1C[NH3+] ZINC000420382024 489969821 /nfs/dbraw/zinc/96/98/21/489969821.db2.gz PLJCUAWYKCQQGE-HUUCEWRRSA-N 2 1 364.515 0.949 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@H]1C[NH3+] ZINC000420382024 489969822 /nfs/dbraw/zinc/96/98/22/489969822.db2.gz PLJCUAWYKCQQGE-HUUCEWRRSA-N 2 1 364.515 0.949 10 0 FCAEMP CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000420972488 490037465 /nfs/dbraw/zinc/03/74/65/490037465.db2.gz JWBYDQQKFVVOJR-AEFFLSMTSA-N 2 1 358.486 0.960 10 0 FCAEMP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000420972488 490037469 /nfs/dbraw/zinc/03/74/69/490037469.db2.gz JWBYDQQKFVVOJR-AEFFLSMTSA-N 2 1 358.486 0.960 10 0 FCAEMP COC1([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOCC1 ZINC000421040067 490045697 /nfs/dbraw/zinc/04/56/97/490045697.db2.gz WLHFFCHVEPAVRT-DLBZAZTESA-N 2 1 371.522 0.633 10 0 FCAEMP CN(C(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000479142183 490069666 /nfs/dbraw/zinc/06/96/66/490069666.db2.gz APPLZXAHZMEBJG-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CN(C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000479142183 490069671 /nfs/dbraw/zinc/06/96/71/490069671.db2.gz APPLZXAHZMEBJG-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CN(C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000479142183 490069676 /nfs/dbraw/zinc/06/96/76/490069676.db2.gz APPLZXAHZMEBJG-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556170084 491300142 /nfs/dbraw/zinc/30/01/42/491300142.db2.gz GICNNWOKZLCNSW-CALCHBBNSA-N 2 1 368.522 0.594 10 0 FCAEMP CN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000465962682 490157498 /nfs/dbraw/zinc/15/74/98/490157498.db2.gz WHPOBBDBJPVNKM-HOCLYGCPSA-N 2 1 351.495 0.452 10 0 FCAEMP CN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000465962682 490157505 /nfs/dbraw/zinc/15/75/05/490157505.db2.gz WHPOBBDBJPVNKM-HOCLYGCPSA-N 2 1 351.495 0.452 10 0 FCAEMP CN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000465962682 490157513 /nfs/dbraw/zinc/15/75/13/490157513.db2.gz WHPOBBDBJPVNKM-HOCLYGCPSA-N 2 1 351.495 0.452 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000520605927 490170108 /nfs/dbraw/zinc/17/01/08/490170108.db2.gz GYZZYHFMIRCYCN-CALCHBBNSA-N 2 1 352.523 0.977 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000520605927 490170114 /nfs/dbraw/zinc/17/01/14/490170114.db2.gz GYZZYHFMIRCYCN-CALCHBBNSA-N 2 1 352.523 0.977 10 0 FCAEMP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000520605927 490170118 /nfs/dbraw/zinc/17/01/18/490170118.db2.gz GYZZYHFMIRCYCN-CALCHBBNSA-N 2 1 352.523 0.977 10 0 FCAEMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000447003579 490180878 /nfs/dbraw/zinc/18/08/78/490180878.db2.gz TXGLMIXNCDXEJD-GJZGRUSLSA-N 2 1 353.467 0.077 10 0 FCAEMP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000447003578 490181032 /nfs/dbraw/zinc/18/10/32/490181032.db2.gz TXGLMIXNCDXEJD-CABCVRRESA-N 2 1 353.467 0.077 10 0 FCAEMP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000520774528 490189803 /nfs/dbraw/zinc/18/98/03/490189803.db2.gz RVJFPDIDPJGOJE-QGZVFWFLSA-N 2 1 367.538 0.119 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000521224199 490237553 /nfs/dbraw/zinc/23/75/53/490237553.db2.gz NWOUKENYUGTOPL-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000521224199 490237556 /nfs/dbraw/zinc/23/75/56/490237556.db2.gz NWOUKENYUGTOPL-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP CC(C)N(C)C(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000521648315 490286201 /nfs/dbraw/zinc/28/62/01/490286201.db2.gz RXWZAGFPHKVUBJ-OAHLLOKOSA-N 2 1 352.479 0.254 10 0 FCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000422471600 490341217 /nfs/dbraw/zinc/34/12/17/490341217.db2.gz JUEXDNNNZJTMON-RDJZCZTQSA-N 2 1 355.442 0.893 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000498925805 490366178 /nfs/dbraw/zinc/36/61/78/490366178.db2.gz ACQOWRWYWWUZTR-OKZBNKHCSA-N 2 1 354.539 0.874 10 0 FCAEMP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000498925805 490366185 /nfs/dbraw/zinc/36/61/85/490366185.db2.gz ACQOWRWYWWUZTR-OKZBNKHCSA-N 2 1 354.539 0.874 10 0 FCAEMP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000498925805 490366188 /nfs/dbraw/zinc/36/61/88/490366188.db2.gz ACQOWRWYWWUZTR-OKZBNKHCSA-N 2 1 354.539 0.874 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000534523908 490375701 /nfs/dbraw/zinc/37/57/01/490375701.db2.gz AGPAQXRZOZAINW-INIZCTEOSA-N 2 1 362.478 0.157 10 0 FCAEMP 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LMRLGSUPVNTDRJ-VYDXJSESSA-N 2 1 350.507 0.942 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000580209107 491721534 /nfs/dbraw/zinc/72/15/34/491721534.db2.gz FPYPEEKZCZBGJQ-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 FCAEMP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)Oc2ccccc21 ZINC000580564891 491736492 /nfs/dbraw/zinc/73/64/92/491736492.db2.gz MTYWWVZZVALOPV-ZJIFWQFVSA-N 2 1 366.483 0.968 10 0 FCAEMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000580634200 491739640 /nfs/dbraw/zinc/73/96/40/491739640.db2.gz DVCGOEWNDPUKPG-VQHPVUNQSA-N 2 1 366.506 0.345 10 0 FCAEMP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000580721078 491742995 /nfs/dbraw/zinc/74/29/95/491742995.db2.gz XLQOVLNZLLQIIF-QGZVFWFLSA-N 2 1 368.522 0.594 10 0 FCAEMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000582785004 491826595 /nfs/dbraw/zinc/82/65/95/491826595.db2.gz ZBQGWSYHHSPHNJ-GOSISDBHSA-N 2 1 373.501 0.807 10 0 FCAEMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000582785007 491826738 /nfs/dbraw/zinc/82/67/38/491826738.db2.gz ZBQGWSYHHSPHNJ-SFHVURJKSA-N 2 1 373.501 0.807 10 0 FCAEMP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H]1SC ZINC000592168211 491834861 /nfs/dbraw/zinc/83/48/61/491834861.db2.gz GYZNNPDHNMHKGI-KONPQCLYSA-N 2 1 373.563 0.958 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000583016414 491836053 /nfs/dbraw/zinc/83/60/53/491836053.db2.gz WGTVACOFEFKFJS-UHFFFAOYSA-N 2 1 350.507 0.993 10 0 FCAEMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000583385465 491843859 /nfs/dbraw/zinc/84/38/59/491843859.db2.gz HQYVFFSZHRQNPH-WBVHZDCISA-N 2 1 363.506 0.963 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000601007533 491892919 /nfs/dbraw/zinc/89/29/19/491892919.db2.gz SPSICFALHMYVOH-QGZVFWFLSA-N 2 1 350.507 0.873 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000601007533 491892921 /nfs/dbraw/zinc/89/29/21/491892921.db2.gz SPSICFALHMYVOH-QGZVFWFLSA-N 2 1 350.507 0.873 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000601328172 491904621 /nfs/dbraw/zinc/90/46/21/491904621.db2.gz IUWYSOHTHHXRQP-SJORKVTESA-N 2 1 354.495 0.603 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000601328172 491904622 /nfs/dbraw/zinc/90/46/22/491904622.db2.gz IUWYSOHTHHXRQP-SJORKVTESA-N 2 1 354.495 0.603 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612591799 491935537 /nfs/dbraw/zinc/93/55/37/491935537.db2.gz JGIMKNLNNOOQDB-HZPDHXFCSA-N 2 1 366.506 0.345 10 0 FCAEMP COC(=O)C[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000596692645 491995945 /nfs/dbraw/zinc/99/59/45/491995945.db2.gz JPVIXYPALKCULU-GJZGRUSLSA-N 2 1 358.483 0.232 10 0 FCAEMP COC(=O)C[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000596692645 491995946 /nfs/dbraw/zinc/99/59/46/491995946.db2.gz JPVIXYPALKCULU-GJZGRUSLSA-N 2 1 358.483 0.232 10 0 FCAEMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000614506686 492034246 /nfs/dbraw/zinc/03/42/46/492034246.db2.gz YYURDZKDYGKQOY-DLBZAZTESA-N 2 1 352.548 0.710 10 0 FCAEMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614508051 492034660 /nfs/dbraw/zinc/03/46/60/492034660.db2.gz SKYGSGNKOBAAOE-SFHVURJKSA-N 2 1 372.517 0.100 10 0 FCAEMP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000604668778 492068014 /nfs/dbraw/zinc/06/80/14/492068014.db2.gz KXSCHDPXCHUPEY-WMZOPIPTSA-N 2 1 365.522 0.271 10 0 FCAEMP CN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000604668778 492068016 /nfs/dbraw/zinc/06/80/16/492068016.db2.gz KXSCHDPXCHUPEY-WMZOPIPTSA-N 2 1 365.522 0.271 10 0 FCAEMP CN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000604668778 492068019 /nfs/dbraw/zinc/06/80/19/492068019.db2.gz KXSCHDPXCHUPEY-WMZOPIPTSA-N 2 1 365.522 0.271 10 0 FCAEMP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000615271734 492083202 /nfs/dbraw/zinc/08/32/02/492083202.db2.gz YEBOLTUICWQORD-QZTJIDSGSA-N 2 1 373.501 0.769 10 0 FCAEMP CC1[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000615848318 492105190 /nfs/dbraw/zinc/10/51/90/492105190.db2.gz CBMDIJYQMFMJFN-ARAZSQDJSA-N 2 1 360.502 0.194 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000617503784 492172252 /nfs/dbraw/zinc/17/22/52/492172252.db2.gz ZCNCEFMOHNDRMW-AWEZNQCLSA-N 2 1 367.494 0.239 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000617503784 492172253 /nfs/dbraw/zinc/17/22/53/492172253.db2.gz ZCNCEFMOHNDRMW-AWEZNQCLSA-N 2 1 367.494 0.239 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000617504274 492172619 /nfs/dbraw/zinc/17/26/19/492172619.db2.gz NSATVQONOMDBAM-XQQFMLRXSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000617504274 492172621 /nfs/dbraw/zinc/17/26/21/492172621.db2.gz NSATVQONOMDBAM-XQQFMLRXSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC000617504901 492172750 /nfs/dbraw/zinc/17/27/50/492172750.db2.gz OPVOPUMLFBOQAA-ZDUSSCGKSA-N 2 1 350.529 0.093 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC000617504901 492172752 /nfs/dbraw/zinc/17/27/52/492172752.db2.gz OPVOPUMLFBOQAA-ZDUSSCGKSA-N 2 1 350.529 0.093 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000617504515 492173188 /nfs/dbraw/zinc/17/31/88/492173188.db2.gz ZILUKDFELHJXET-AWEZNQCLSA-N 2 1 362.540 0.046 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000617504515 492173190 /nfs/dbraw/zinc/17/31/90/492173190.db2.gz ZILUKDFELHJXET-AWEZNQCLSA-N 2 1 362.540 0.046 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCOCC1 ZINC000627427546 492291988 /nfs/dbraw/zinc/29/19/88/492291988.db2.gz HYWBWTUOLULQOP-CQSZACIVSA-N 2 1 352.479 0.134 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654437834 492302971 /nfs/dbraw/zinc/30/29/71/492302971.db2.gz XJJRHGUXGCBVGV-WCXIOVBPSA-N 2 1 356.511 0.894 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654437834 492302974 /nfs/dbraw/zinc/30/29/74/492302974.db2.gz XJJRHGUXGCBVGV-WCXIOVBPSA-N 2 1 356.511 0.894 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654437834 492302976 /nfs/dbraw/zinc/30/29/76/492302976.db2.gz XJJRHGUXGCBVGV-WCXIOVBPSA-N 2 1 356.511 0.894 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654437834 492302978 /nfs/dbraw/zinc/30/29/78/492302978.db2.gz XJJRHGUXGCBVGV-WCXIOVBPSA-N 2 1 356.511 0.894 10 0 FCAEMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654443966 492304342 /nfs/dbraw/zinc/30/43/42/492304342.db2.gz GNZNEWIEJVVZNY-HRCADAONSA-N 2 1 356.511 0.894 10 0 FCAEMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654443966 492304346 /nfs/dbraw/zinc/30/43/46/492304346.db2.gz GNZNEWIEJVVZNY-HRCADAONSA-N 2 1 356.511 0.894 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000654447393 492305611 /nfs/dbraw/zinc/30/56/11/492305611.db2.gz VQFXALFKLGVUJY-ZACQAIPSSA-N 2 1 353.511 0.032 10 0 FCAEMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647565679 492312550 /nfs/dbraw/zinc/31/25/50/492312550.db2.gz WZEKVTMOQRGVER-MRXNPFEDSA-N 2 1 366.506 0.251 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654531734 492316270 /nfs/dbraw/zinc/31/62/70/492316270.db2.gz GAQZHGQGMIJZGL-GDAAHCPNSA-N 2 1 358.486 0.967 10 0 FCAEMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654531734 492316272 /nfs/dbraw/zinc/31/62/72/492316272.db2.gz GAQZHGQGMIJZGL-GDAAHCPNSA-N 2 1 358.486 0.967 10 0 FCAEMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654531734 492316274 /nfs/dbraw/zinc/31/62/74/492316274.db2.gz GAQZHGQGMIJZGL-GDAAHCPNSA-N 2 1 358.486 0.967 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000634258824 492331168 /nfs/dbraw/zinc/33/11/68/492331168.db2.gz GMUUTGKODXGQTN-QGZVFWFLSA-N 2 1 365.522 0.714 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)C1 ZINC000654683604 492338292 /nfs/dbraw/zinc/33/82/92/492338292.db2.gz IXWXINAAZSLQPD-JKSUJKDBSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N(CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1 ZINC000654683604 492338296 /nfs/dbraw/zinc/33/82/96/492338296.db2.gz IXWXINAAZSLQPD-JKSUJKDBSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1CC[N@H+](CC(=O)N(CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1 ZINC000654683604 492338299 /nfs/dbraw/zinc/33/82/99/492338299.db2.gz 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O[C@@H](COC1CCOCC1)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923430740 667834928 /nfs/dbraw/zinc/83/49/28/667834928.db2.gz JWNABFFSSZQBQA-FGTMMUONSA-N 2 1 353.507 0.444 10 0 FCAEMP O[C@@H](COC1CCOCC1)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923430740 667834929 /nfs/dbraw/zinc/83/49/29/667834929.db2.gz JWNABFFSSZQBQA-FGTMMUONSA-N 2 1 353.507 0.444 10 0 FCAEMP O=C1[C@@H](N2CC[NH2+]CC[NH2+]CC2)CCCN1Cc1ccc(F)cc1F ZINC000923460848 667837729 /nfs/dbraw/zinc/83/77/29/667837729.db2.gz WVRYNENOXGSDJL-KRWDZBQOSA-N 2 1 352.429 0.951 10 0 FCAEMP CC(=O)Nc1ccc(S(=O)(=O)CCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461166 667837831 /nfs/dbraw/zinc/83/78/31/667837831.db2.gz MWJQLTIELKCGGU-UHFFFAOYSA-N 2 1 368.503 0.304 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[C@@H]1C[NH3+] ZINC000923492868 667841186 /nfs/dbraw/zinc/84/11/86/667841186.db2.gz QMNLREBLSKDHJB-RBSFLKMASA-N 2 1 361.552 0.905 10 0 FCAEMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)S(C)(=O)=O ZINC000923498903 667841544 /nfs/dbraw/zinc/84/15/44/667841544.db2.gz QRKKSHGTQBBOIA-LSDHHAIUSA-N 2 1 362.540 0.079 10 0 FCAEMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)NCC(=O)N1CCCC1 ZINC000923503592 667842724 /nfs/dbraw/zinc/84/27/24/667842724.db2.gz MYOAXDUAOHDLFU-INIZCTEOSA-N 2 1 350.507 0.827 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000784058527 668640818 /nfs/dbraw/zinc/64/08/18/668640818.db2.gz HGGHREAXARNFEL-LBPRGKRZSA-N 2 1 358.439 0.052 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000784058527 668640820 /nfs/dbraw/zinc/64/08/20/668640820.db2.gz HGGHREAXARNFEL-LBPRGKRZSA-N 2 1 358.439 0.052 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CNC(=O)O2)CC1 ZINC000820081215 669056283 /nfs/dbraw/zinc/05/62/83/669056283.db2.gz XCTROSODEYDSKC-AWEZNQCLSA-N 2 1 355.483 0.542 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CNC(=O)O2)CC1 ZINC000820081215 669056289 /nfs/dbraw/zinc/05/62/89/669056289.db2.gz XCTROSODEYDSKC-AWEZNQCLSA-N 2 1 355.483 0.542 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000846732078 671143370 /nfs/dbraw/zinc/14/33/70/671143370.db2.gz ATAPVVZOZZKJAH-HOTGVXAUSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846732078 671143373 /nfs/dbraw/zinc/14/33/73/671143373.db2.gz ATAPVVZOZZKJAH-HOTGVXAUSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846732078 671143378 /nfs/dbraw/zinc/14/33/78/671143378.db2.gz ATAPVVZOZZKJAH-HOTGVXAUSA-N 2 1 354.495 0.060 10 0 FCAEMP CNS(=O)(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856765508 671701056 /nfs/dbraw/zinc/70/10/56/671701056.db2.gz GFKLECNKWQFQND-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CNS(=O)(=O)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856765508 671701057 /nfs/dbraw/zinc/70/10/57/671701057.db2.gz GFKLECNKWQFQND-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CNS(=O)(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856765508 671701058 /nfs/dbraw/zinc/70/10/58/671701058.db2.gz GFKLECNKWQFQND-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CNS(=O)(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856765508 671701059 /nfs/dbraw/zinc/70/10/59/671701059.db2.gz GFKLECNKWQFQND-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903482654 675932674 /nfs/dbraw/zinc/93/26/74/675932674.db2.gz OFQORKDWCZXCQH-CABCVRRESA-N 2 1 352.504 0.572 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)C(=O)NCc1cccs1)C2 ZINC000903492063 675933292 /nfs/dbraw/zinc/93/32/92/675933292.db2.gz IXNREXHLSYNSKB-ZHRONYKTSA-N 2 1 351.472 0.965 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000903493546 675933429 /nfs/dbraw/zinc/93/34/29/675933429.db2.gz UUDBRRKLJOSREQ-SCTDSRPQSA-N 3 1 352.523 0.615 10 0 FCAEMP C[Si](C)(CC[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167917 671873608 /nfs/dbraw/zinc/87/36/08/671873608.db2.gz PDFLUINMDGZHTA-KLHDSHLOSA-N 2 1 366.534 0.904 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000903737722 675965519 /nfs/dbraw/zinc/96/55/19/675965519.db2.gz CZIMCTNJHBYDPE-AVGNSLFASA-N 2 1 362.396 0.420 10 0 FCAEMP C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000903816548 675976074 /nfs/dbraw/zinc/97/60/74/675976074.db2.gz VTDNGURZHDSZJU-DOTOQJQBSA-N 2 1 350.507 0.918 10 0 FCAEMP COC(=O)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903895432 675981217 /nfs/dbraw/zinc/98/12/17/675981217.db2.gz NSDQMAURYBQKRU-GOEBONIOSA-N 2 1 351.451 0.747 10 0 FCAEMP COC(=O)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903895432 675981221 /nfs/dbraw/zinc/98/12/21/675981221.db2.gz NSDQMAURYBQKRU-GOEBONIOSA-N 2 1 351.451 0.747 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cnn1C ZINC000903899480 675981297 /nfs/dbraw/zinc/98/12/97/675981297.db2.gz RYIXNXNHLBRHNO-CQSZACIVSA-N 2 1 357.524 0.202 10 0 FCAEMP Cc1nc(S(=O)(=O)N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1C ZINC000903909863 675981797 /nfs/dbraw/zinc/98/17/97/675981797.db2.gz HHXIZNXSPXFOCA-MQVJKMGUSA-N 2 1 367.519 0.565 10 0 FCAEMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549620 672135965 /nfs/dbraw/zinc/13/59/65/672135965.db2.gz HJRSQSOOQSWUDF-CFVMTHIKSA-N 2 1 352.479 0.937 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912306 675981913 /nfs/dbraw/zinc/98/19/13/675981913.db2.gz CUDIJIDCTMDQLJ-RDJZCZTQSA-N 2 1 369.535 0.346 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912306 675981914 /nfs/dbraw/zinc/98/19/14/675981914.db2.gz CUDIJIDCTMDQLJ-RDJZCZTQSA-N 2 1 369.535 0.346 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709092 672290181 /nfs/dbraw/zinc/29/01/81/672290181.db2.gz PTGROZQFKYKSCR-LJIZCISZSA-N 2 1 350.463 0.643 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709092 672290184 /nfs/dbraw/zinc/29/01/84/672290184.db2.gz PTGROZQFKYKSCR-LJIZCISZSA-N 2 1 350.463 0.643 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867808762 672370311 /nfs/dbraw/zinc/37/03/11/672370311.db2.gz OOUOJXYIKXXYMM-HZPDHXFCSA-N 2 1 369.535 0.776 10 0 FCAEMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000868362723 672395684 /nfs/dbraw/zinc/39/56/84/672395684.db2.gz FKSLPJKGIUSAFT-IBGZPJMESA-N 2 1 350.507 0.764 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868358231 672395701 /nfs/dbraw/zinc/39/57/01/672395701.db2.gz FAUYYWAULQSBSV-KURKYZTESA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868358231 672395703 /nfs/dbraw/zinc/39/57/03/672395703.db2.gz FAUYYWAULQSBSV-KURKYZTESA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868358231 672395707 /nfs/dbraw/zinc/39/57/07/672395707.db2.gz FAUYYWAULQSBSV-KURKYZTESA-N 2 1 351.539 0.996 10 0 FCAEMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872151144 672595213 /nfs/dbraw/zinc/59/52/13/672595213.db2.gz BDFDDDINSRILEA-WMLDXEAASA-N 2 1 353.488 0.857 10 0 FCAEMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872151144 672595219 /nfs/dbraw/zinc/59/52/19/672595219.db2.gz BDFDDDINSRILEA-WMLDXEAASA-N 2 1 353.488 0.857 10 0 FCAEMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872187114 672597253 /nfs/dbraw/zinc/59/72/53/672597253.db2.gz DBISXERXZDFONE-CHWSQXEVSA-N 2 1 364.412 0.525 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188492 672597524 /nfs/dbraw/zinc/59/75/24/672597524.db2.gz WXGSALMONRCXNH-RWMBFGLXSA-N 2 1 364.412 0.382 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCC1(C)C ZINC000872196005 672603675 /nfs/dbraw/zinc/60/36/75/672603675.db2.gz OBTNOWMJTRZTBY-VXGBXAGGSA-N 2 1 364.412 0.525 10 0 FCAEMP Cn1ccnc1C[N@H+](CCCNS(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000886088385 673557473 /nfs/dbraw/zinc/55/74/73/673557473.db2.gz RTACPSFVGFBAEE-AWEZNQCLSA-N 2 1 355.508 0.304 10 0 FCAEMP Cn1ccnc1C[N@@H+](CCCNS(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000886088385 673557475 /nfs/dbraw/zinc/55/74/75/673557475.db2.gz RTACPSFVGFBAEE-AWEZNQCLSA-N 2 1 355.508 0.304 10 0 FCAEMP CCO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C[NH+](C)C ZINC000926831873 673844164 /nfs/dbraw/zinc/84/41/64/673844164.db2.gz GOYRUFAZHLAHKY-QGZVFWFLSA-N 2 1 357.543 0.621 10 0 FCAEMP CCO[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C[NH+](C)C 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/nfs/dbraw/zinc/96/15/78/1193961578.db2.gz OAORLCBIXJSAHA-IAGOWNOFSA-N 2 1 368.522 0.594 10 0 FCAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000552937768 1193961582 /nfs/dbraw/zinc/96/15/82/1193961582.db2.gz OAORLCBIXJSAHA-IAGOWNOFSA-N 2 1 368.522 0.594 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000553274304 1193984083 /nfs/dbraw/zinc/98/40/83/1193984083.db2.gz SPVHHKCSWUFFIS-SJORKVTESA-N 2 1 366.506 0.300 10 0 FCAEMP C[C@@H](C[NH2+]Cc1cc(=O)n2ccsc2n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483228089 1195514532 /nfs/dbraw/zinc/51/45/32/1195514532.db2.gz HUCQPVBSCZCWCK-OUCADQQQSA-N 2 1 363.487 0.691 10 0 FCAEMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905818920 1195603897 /nfs/dbraw/zinc/60/38/97/1195603897.db2.gz IXTBEKYVIZSYCU-LJQANCHMSA-N 2 1 358.490 0.694 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000907739859 1195707307 /nfs/dbraw/zinc/70/73/07/1195707307.db2.gz VWINDUNDIXWIIB-GGPKGHCWSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000907739859 1195707313 /nfs/dbraw/zinc/70/73/13/1195707313.db2.gz VWINDUNDIXWIIB-GGPKGHCWSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000907739859 1195707320 /nfs/dbraw/zinc/70/73/20/1195707320.db2.gz VWINDUNDIXWIIB-GGPKGHCWSA-N 2 1 361.486 0.849 10 0 FCAEMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)C[C@@]1(O)CCC[NH+](C)C1)C2 ZINC000908163858 1195725168 /nfs/dbraw/zinc/72/51/68/1195725168.db2.gz IDXYHMHYVLBBPT-IYHXRUFHSA-N 2 1 366.506 0.033 10 0 FCAEMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C2 ZINC000908163858 1195725171 /nfs/dbraw/zinc/72/51/71/1195725171.db2.gz IDXYHMHYVLBBPT-IYHXRUFHSA-N 2 1 366.506 0.033 10 0 FCAEMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C2 ZINC000908163858 1195725176 /nfs/dbraw/zinc/72/51/76/1195725176.db2.gz IDXYHMHYVLBBPT-IYHXRUFHSA-N 2 1 366.506 0.033 10 0 FCAEMP CN1CC[N@@H+](C)CC(C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000908237252 1195734778 /nfs/dbraw/zinc/73/47/78/1195734778.db2.gz PCRNVSDOCYEIAE-UHFFFAOYSA-N 2 1 363.506 0.522 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000912385635 1196343975 /nfs/dbraw/zinc/34/39/75/1196343975.db2.gz JUYJNXZEUDDVGA-ICSRJNTNSA-N 2 1 361.486 0.716 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000912385635 1196343978 /nfs/dbraw/zinc/34/39/78/1196343978.db2.gz JUYJNXZEUDDVGA-ICSRJNTNSA-N 2 1 361.486 0.716 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000912385635 1196343982 /nfs/dbraw/zinc/34/39/82/1196343982.db2.gz JUYJNXZEUDDVGA-ICSRJNTNSA-N 2 1 361.486 0.716 10 0 FCAEMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000912714711 1196359822 /nfs/dbraw/zinc/35/98/22/1196359822.db2.gz DPPWKXOFPSPSTQ-NVXWUHKLSA-N 2 1 367.490 0.319 10 0 FCAEMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000912714711 1196359826 /nfs/dbraw/zinc/35/98/26/1196359826.db2.gz DPPWKXOFPSPSTQ-NVXWUHKLSA-N 2 1 367.490 0.319 10 0 FCAEMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000912714711 1196359829 /nfs/dbraw/zinc/35/98/29/1196359829.db2.gz DPPWKXOFPSPSTQ-NVXWUHKLSA-N 2 1 367.490 0.319 10 0 FCAEMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000913181493 1196401973 /nfs/dbraw/zinc/40/19/73/1196401973.db2.gz KTGKHFHSLNJHRW-ICSRJNTNSA-N 2 1 361.486 0.408 10 0 FCAEMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000913181493 1196401975 /nfs/dbraw/zinc/40/19/75/1196401975.db2.gz KTGKHFHSLNJHRW-ICSRJNTNSA-N 2 1 361.486 0.408 10 0 FCAEMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000913194678 1196405710 /nfs/dbraw/zinc/40/57/10/1196405710.db2.gz AIJNNADWPOEMBH-NQIIRXRSSA-N 2 1 373.497 0.756 10 0 FCAEMP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000913194678 1196405713 /nfs/dbraw/zinc/40/57/13/1196405713.db2.gz AIJNNADWPOEMBH-NQIIRXRSSA-N 2 1 373.497 0.756 10 0 FCAEMP CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000913438127 1196430855 /nfs/dbraw/zinc/43/08/55/1196430855.db2.gz VISHAEJBXSERNW-RTBURBONSA-N 3 1 367.582 0.600 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000913919197 1197161801 /nfs/dbraw/zinc/16/18/01/1197161801.db2.gz FNCNSLRVAKMTKR-QLFBSQMISA-N 2 1 368.522 0.325 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNc2ccc(OCC[NH3+])cc2)C1 ZINC000844222598 1204379792 /nfs/dbraw/zinc/37/97/92/1204379792.db2.gz IPRIGAVAADPTBS-GOSISDBHSA-N 2 1 364.490 0.909 10 0 FCAEMP C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001177567917 1206343443 /nfs/dbraw/zinc/34/34/43/1206343443.db2.gz VHHLBMNOSJPMEO-SFHVURJKSA-N 2 1 370.497 0.584 10 0 FCAEMP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000867368639 1208434254 /nfs/dbraw/zinc/43/42/54/1208434254.db2.gz FURYRQHDHLYPFS-UHFFFAOYSA-N 2 1 362.518 0.875 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001273876548 1208444352 /nfs/dbraw/zinc/44/43/52/1208444352.db2.gz PNIXGPBOTWJGJK-YQVWRLOYSA-N 2 1 363.506 0.594 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cncn2)C1 ZINC001489056491 1208616349 /nfs/dbraw/zinc/61/63/49/1208616349.db2.gz SVTCRCMNTJVRCG-IKGGRYGDSA-N 2 1 364.494 0.216 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCn2cncn2)C1 ZINC001489056491 1208616354 /nfs/dbraw/zinc/61/63/54/1208616354.db2.gz SVTCRCMNTJVRCG-IKGGRYGDSA-N 2 1 364.494 0.216 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N2CCC2)C1 ZINC001489056220 1208616506 /nfs/dbraw/zinc/61/65/06/1208616506.db2.gz MUCGZKDPQUHBIH-IXDOHACOSA-N 2 1 366.506 0.156 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1CC)[NH+](C)C ZINC001489122841 1208631818 /nfs/dbraw/zinc/63/18/18/1208631818.db2.gz MEPFSFVMKBAFMB-RRFJBIMHSA-N 2 1 367.494 0.284 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1CC)[NH+](C)C ZINC001489122841 1208631821 /nfs/dbraw/zinc/63/18/21/1208631821.db2.gz MEPFSFVMKBAFMB-RRFJBIMHSA-N 2 1 367.494 0.284 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCNC(=O)NC(C)C ZINC001489144491 1208644500 /nfs/dbraw/zinc/64/45/00/1208644500.db2.gz DOJVNSMBKNILBT-OWCLPIDISA-N 2 1 353.511 0.615 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCNC(=O)NC(C)C ZINC001489144491 1208644510 /nfs/dbraw/zinc/64/45/10/1208644510.db2.gz DOJVNSMBKNILBT-OWCLPIDISA-N 2 1 353.511 0.615 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCNC(=O)NC(C)C ZINC001489144491 1208644520 /nfs/dbraw/zinc/64/45/20/1208644520.db2.gz DOJVNSMBKNILBT-OWCLPIDISA-N 2 1 353.511 0.615 10 0 FCAEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001489300051 1208732449 /nfs/dbraw/zinc/73/24/49/1208732449.db2.gz HIAZCTSFAAMBHT-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001489300051 1208732455 /nfs/dbraw/zinc/73/24/55/1208732455.db2.gz HIAZCTSFAAMBHT-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001489300051 1208732458 /nfs/dbraw/zinc/73/24/58/1208732458.db2.gz HIAZCTSFAAMBHT-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001489300051 1208732463 /nfs/dbraw/zinc/73/24/63/1208732463.db2.gz HIAZCTSFAAMBHT-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001489271151 1208748667 /nfs/dbraw/zinc/74/86/67/1208748667.db2.gz FOHNLAWKBSQTJO-PMPSAXMXSA-N 2 1 350.507 0.966 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001489534958 1208896267 /nfs/dbraw/zinc/89/62/67/1208896267.db2.gz JMYWXTQNOMYJSQ-ARFHVFGLSA-N 2 1 354.495 0.012 10 0 FCAEMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@H]32)C1 ZINC001489651275 1209037788 /nfs/dbraw/zinc/03/77/88/1209037788.db2.gz SUGSIMFLJMTZCC-KZNAEPCWSA-N 2 1 362.518 0.873 10 0 FCAEMP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001489867454 1209125678 /nfs/dbraw/zinc/12/56/78/1209125678.db2.gz AHWHFIVSOOKTFW-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001489867454 1209125683 /nfs/dbraw/zinc/12/56/83/1209125683.db2.gz AHWHFIVSOOKTFW-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001489931755 1209165014 /nfs/dbraw/zinc/16/50/14/1209165014.db2.gz RUGWNXLHKMXNOY-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001490127145 1209268459 /nfs/dbraw/zinc/26/84/59/1209268459.db2.gz RDXVMYORIVFONH-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001490304901 1209302632 /nfs/dbraw/zinc/30/26/32/1209302632.db2.gz QHLWWKUZROEORW-GDBMZVCRSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850808553 1209489788 /nfs/dbraw/zinc/48/97/88/1209489788.db2.gz WQUHXEHCKZYLBQ-PBHICJAKSA-N 2 1 360.458 0.887 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000851687058 1209512668 /nfs/dbraw/zinc/51/26/68/1209512668.db2.gz YLOWNYSELQNFDI-SGDIKTSBSA-N 2 1 370.497 0.883 10 0 FCAEMP CCN1CC[NH+](Cc2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852873175 1209571131 /nfs/dbraw/zinc/57/11/31/1209571131.db2.gz QGXZERSEHGDCLV-KRWDZBQOSA-N 2 1 359.474 0.544 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593359 1209717074 /nfs/dbraw/zinc/71/70/74/1209717074.db2.gz RNSCQUFPEBMWRK-XJKSGUPXSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593359 1209717075 /nfs/dbraw/zinc/71/70/75/1209717075.db2.gz RNSCQUFPEBMWRK-XJKSGUPXSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593359 1209717077 /nfs/dbraw/zinc/71/70/77/1209717077.db2.gz RNSCQUFPEBMWRK-XJKSGUPXSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593359 1209717081 /nfs/dbraw/zinc/71/70/81/1209717081.db2.gz RNSCQUFPEBMWRK-XJKSGUPXSA-N 2 1 363.462 0.831 10 0 FCAEMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)NC(N)=O)C2)ccn1 ZINC000856600314 1209718127 /nfs/dbraw/zinc/71/81/27/1209718127.db2.gz YCYWSYQVNBCJQR-CZUORRHYSA-N 2 1 363.462 0.958 10 0 FCAEMP 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0.870 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000861760681 1209880521 /nfs/dbraw/zinc/88/05/21/1209880521.db2.gz LXEAIVSEYABJCP-XAUMDUMWSA-N 2 1 358.486 0.881 10 0 FCAEMP CC(C)CN(C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000863550026 1209944586 /nfs/dbraw/zinc/94/45/86/1209944586.db2.gz MEYKRVHOFLQSOE-SJORKVTESA-N 2 1 364.490 0.890 10 0 FCAEMP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000863552332 1209945222 /nfs/dbraw/zinc/94/52/22/1209945222.db2.gz XLBPVOHJNJFFPO-SRABZTEZSA-N 2 1 364.490 0.748 10 0 FCAEMP COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865195610 1209975170 /nfs/dbraw/zinc/97/51/70/1209975170.db2.gz NFOAQOHHUCIKPI-GJZGRUSLSA-N 2 1 372.510 0.668 10 0 FCAEMP CN(C(=O)C(F)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000865718265 1209983246 /nfs/dbraw/zinc/98/32/46/1209983246.db2.gz XCRGTRKSCGHLRF-HOTGVXAUSA-N 2 1 366.481 0.715 10 0 FCAEMP 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FCAEMP CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710733 1210003984 /nfs/dbraw/zinc/00/39/84/1210003984.db2.gz UNNXTEJEMISOBP-ZACQAIPSSA-N 2 1 364.490 0.892 10 0 FCAEMP CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710733 1210003988 /nfs/dbraw/zinc/00/39/88/1210003988.db2.gz UNNXTEJEMISOBP-ZACQAIPSSA-N 2 1 364.490 0.892 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000866712267 1210004072 /nfs/dbraw/zinc/00/40/72/1210004072.db2.gz SBPJZPQVGDMMGX-LTIDMASMSA-N 2 1 362.474 0.787 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000866712267 1210004074 /nfs/dbraw/zinc/00/40/74/1210004074.db2.gz SBPJZPQVGDMMGX-LTIDMASMSA-N 2 1 362.474 0.787 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000866810208 1210006563 /nfs/dbraw/zinc/00/65/63/1210006563.db2.gz QRFAMKHSMUTGGO-CABCVRRESA-N 2 1 372.510 0.356 10 0 FCAEMP 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CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[N@@H+]1CCOC ZINC000872193251 1210176705 /nfs/dbraw/zinc/17/67/05/1210176705.db2.gz SVQHLPFOAAXJND-TXPKVOOTSA-N 2 1 366.506 0.014 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[N@H+]1CCOC ZINC000872193251 1210176713 /nfs/dbraw/zinc/17/67/13/1210176713.db2.gz SVQHLPFOAAXJND-TXPKVOOTSA-N 2 1 366.506 0.014 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1O ZINC000872257105 1210183745 /nfs/dbraw/zinc/18/37/45/1210183745.db2.gz LGXUENOUFVBUSM-IOASZLSFSA-N 2 1 363.414 0.776 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1O ZINC000872257105 1210183757 /nfs/dbraw/zinc/18/37/57/1210183757.db2.gz LGXUENOUFVBUSM-IOASZLSFSA-N 2 1 363.414 0.776 10 0 FCAEMP COc1cc2c(cc1C[N@@H+]1CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C1)OCO2 ZINC000872256448 1210183916 /nfs/dbraw/zinc/18/39/16/1210183916.db2.gz UEPGTBWNKXYKDS-AHIWAGSCSA-N 2 1 361.398 0.791 10 0 FCAEMP 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COCCCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001500161582 1264055439 /nfs/dbraw/zinc/05/54/39/1264055439.db2.gz FNOPNPJQJGVGET-GUDVDZBRSA-N 2 1 366.550 0.972 10 0 FCAEMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001322103172 1264146521 /nfs/dbraw/zinc/14/65/21/1264146521.db2.gz JRQXZBVJLCPJHQ-DLBZAZTESA-N 2 1 367.538 0.071 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC001322103176 1264146762 /nfs/dbraw/zinc/14/67/62/1264146762.db2.gz JRQXZBVJLCPJHQ-IRXDYDNUSA-N 2 1 367.538 0.071 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001323000536 1264312214 /nfs/dbraw/zinc/31/22/14/1264312214.db2.gz OMGMAKXLAOHSQE-XYPHTWIQSA-N 2 1 362.474 0.720 10 0 FCAEMP Cc1ccc(NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001507198699 1264354116 /nfs/dbraw/zinc/35/41/16/1264354116.db2.gz YTKADSDGBDXVOM-HYVNUMGLSA-N 2 1 362.474 0.340 10 0 FCAEMP Cc1ccc(NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001507198699 1264354128 /nfs/dbraw/zinc/35/41/28/1264354128.db2.gz YTKADSDGBDXVOM-HYVNUMGLSA-N 2 1 362.474 0.340 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCn2nc(C)cc2C)CC[N@H+]1C ZINC001507478836 1264362488 /nfs/dbraw/zinc/36/24/88/1264362488.db2.gz NDBVYHXRJIQCJD-OKZBNKHCSA-N 2 1 365.522 0.639 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC001325237304 1264818869 /nfs/dbraw/zinc/81/88/69/1264818869.db2.gz UWDZEIBKGFMDKB-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC001325237304 1264818889 /nfs/dbraw/zinc/81/88/89/1264818889.db2.gz UWDZEIBKGFMDKB-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)CC(C)(C)C ZINC001513026745 1264865539 /nfs/dbraw/zinc/86/55/39/1264865539.db2.gz LSVSWDXTTJGVGS-OWCLPIDISA-N 2 1 368.522 0.137 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)CC(C)(C)C ZINC001513026745 1264865559 /nfs/dbraw/zinc/86/55/59/1264865559.db2.gz LSVSWDXTTJGVGS-OWCLPIDISA-N 2 1 368.522 0.137 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)CC(C)(C)C ZINC001513026745 1264865580 /nfs/dbraw/zinc/86/55/80/1264865580.db2.gz LSVSWDXTTJGVGS-OWCLPIDISA-N 2 1 368.522 0.137 10 0 FCAEMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001513207397 1264962316 /nfs/dbraw/zinc/96/23/16/1264962316.db2.gz QAFYPCGLDRSOAS-VNQPRFMTSA-N 2 1 367.469 0.835 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H]1c1ccc(F)cc1 ZINC001325705530 1264974796 /nfs/dbraw/zinc/97/47/96/1264974796.db2.gz UMXLRXFZQJULTL-IEAZIUSSSA-N 2 1 362.449 0.931 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H]1c1ccc(F)cc1 ZINC001325705530 1264974804 /nfs/dbraw/zinc/97/48/04/1264974804.db2.gz UMXLRXFZQJULTL-IEAZIUSSSA-N 2 1 362.449 0.931 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)cc1 ZINC001326147050 1265067820 /nfs/dbraw/zinc/06/78/20/1265067820.db2.gz JIOKTTORJAJYPS-COXVUDFISA-N 2 1 362.449 0.803 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)cc1 ZINC001326147050 1265067831 /nfs/dbraw/zinc/06/78/31/1265067831.db2.gz JIOKTTORJAJYPS-COXVUDFISA-N 2 1 362.449 0.803 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001513382106 1265076649 /nfs/dbraw/zinc/07/66/49/1265076649.db2.gz AOMOTFQAMSBZBY-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001327409200 1265306794 /nfs/dbraw/zinc/30/67/94/1265306794.db2.gz RHTGGIHMQLZUFS-QGZVFWFLSA-N 2 1 366.506 0.033 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1 ZINC001522331000 1266494944 /nfs/dbraw/zinc/49/49/44/1266494944.db2.gz NYOCWADMHAHQEC-HZMVEIRTSA-N 2 1 362.518 0.918 10 0 FCAEMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1N3C(=O)CC[NH+](C)C)C2 ZINC001522343065 1266502961 /nfs/dbraw/zinc/50/29/61/1266502961.db2.gz LSIRMKHYLPBGEU-AHCXZYCDSA-N 2 1 373.501 0.954 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C ZINC001523637441 1266648935 /nfs/dbraw/zinc/64/89/35/1266648935.db2.gz LDBLEUAPMKBAGN-HZPDHXFCSA-N 2 1 350.507 0.920 10 0 FCAEMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C[N@H+]2C1 ZINC001527645981 1266911926 /nfs/dbraw/zinc/91/19/26/1266911926.db2.gz BXNFYFPJQPZCOS-TWMKSMIVSA-N 2 1 350.507 0.810 10 0 FCAEMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C[NH+]2C1 ZINC001527645981 1266911933 /nfs/dbraw/zinc/91/19/33/1266911933.db2.gz BXNFYFPJQPZCOS-TWMKSMIVSA-N 2 1 350.507 0.810 10 0 FCAEMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C[NH+]2C1 ZINC001527645981 1266911939 /nfs/dbraw/zinc/91/19/39/1266911939.db2.gz BXNFYFPJQPZCOS-TWMKSMIVSA-N 2 1 350.507 0.810 10 0 FCAEMP C[C@@H](COCC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCCC1 ZINC001528216355 1266954501 /nfs/dbraw/zinc/95/45/01/1266954501.db2.gz MMHRXLFMKHRJBB-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP C[N@@H+](CCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)C1CCCCC1 ZINC001529326966 1267052019 /nfs/dbraw/zinc/05/20/19/1267052019.db2.gz FIGXGDVVTMPJAZ-PKOBYXMFSA-N 2 1 353.507 0.983 10 0 FCAEMP C[NH+](CCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1CCCCC1 ZINC001529326966 1267052037 /nfs/dbraw/zinc/05/20/37/1267052037.db2.gz FIGXGDVVTMPJAZ-PKOBYXMFSA-N 2 1 353.507 0.983 10 0 FCAEMP C[NH+](CCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1CCCCC1 ZINC001529326966 1267052049 /nfs/dbraw/zinc/05/20/49/1267052049.db2.gz FIGXGDVVTMPJAZ-PKOBYXMFSA-N 2 1 353.507 0.983 10 0 FCAEMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCN(S(C)(=O)=O)CC1 ZINC001334829430 1267192679 /nfs/dbraw/zinc/19/26/79/1267192679.db2.gz UWIGMKYRVFQTCY-AWEZNQCLSA-N 2 1 356.496 0.058 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001536826958 1267339870 /nfs/dbraw/zinc/33/98/70/1267339870.db2.gz AWFBHAUFHGPKSC-IIDMSEBBSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001339992799 1268400845 /nfs/dbraw/zinc/40/08/45/1268400845.db2.gz JLASJHBSFNQJKB-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2(CCNC(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC001340500912 1268568807 /nfs/dbraw/zinc/56/88/07/1268568807.db2.gz OJABUOHGDCXYCS-BZUAXINKSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2(CCNC(=O)C34CC[NH+](CC3)C4)CC2)CC[N@H+]1C ZINC001340559281 1268587128 /nfs/dbraw/zinc/58/71/28/1268587128.db2.gz JRVLBOXEVVEPOS-HZPDHXFCSA-N 2 1 362.518 0.825 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001565885308 1269503305 /nfs/dbraw/zinc/50/33/05/1269503305.db2.gz WDFCSQPDJLWRRG-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001565885308 1269503312 /nfs/dbraw/zinc/50/33/12/1269503312.db2.gz WDFCSQPDJLWRRG-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001565885308 1269503317 /nfs/dbraw/zinc/50/33/17/1269503317.db2.gz WDFCSQPDJLWRRG-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001565885308 1269503324 /nfs/dbraw/zinc/50/33/24/1269503324.db2.gz WDFCSQPDJLWRRG-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001566020055 1269557589 /nfs/dbraw/zinc/55/75/89/1269557589.db2.gz ASRJAVLLKXTGDE-LSDHHAIUSA-N 2 1 367.494 0.286 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001566020055 1269557593 /nfs/dbraw/zinc/55/75/93/1269557593.db2.gz ASRJAVLLKXTGDE-LSDHHAIUSA-N 2 1 367.494 0.286 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001566052946 1269585999 /nfs/dbraw/zinc/58/59/99/1269585999.db2.gz PCPDZIWPECTLHH-IXDOHACOSA-N 2 1 352.523 0.879 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111204 1269611947 /nfs/dbraw/zinc/61/19/47/1269611947.db2.gz VEZMHBMTWQSTIL-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111204 1269611953 /nfs/dbraw/zinc/61/19/53/1269611953.db2.gz VEZMHBMTWQSTIL-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111204 1269611958 /nfs/dbraw/zinc/61/19/58/1269611958.db2.gz VEZMHBMTWQSTIL-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001566111204 1269611962 /nfs/dbraw/zinc/61/19/62/1269611962.db2.gz VEZMHBMTWQSTIL-OAGGEKHMSA-N 2 1 359.536 0.732 10 0 FCAEMP 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CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1OC ZINC001343101522 1269772265 /nfs/dbraw/zinc/77/22/65/1269772265.db2.gz HKWFRLMAOKHUCQ-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001569320463 1269777207 /nfs/dbraw/zinc/77/72/07/1269777207.db2.gz SXGHFIGWAOTYLB-SQNIBIBYSA-N 2 1 358.486 0.562 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001569716359 1269797547 /nfs/dbraw/zinc/79/75/47/1269797547.db2.gz WVOXZSCACPOFOW-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001569716359 1269797552 /nfs/dbraw/zinc/79/75/52/1269797552.db2.gz WVOXZSCACPOFOW-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001569716359 1269797558 /nfs/dbraw/zinc/79/75/58/1269797558.db2.gz WVOXZSCACPOFOW-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP 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C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)C1 ZINC001282481488 864292658 /nfs/dbraw/zinc/29/26/58/864292658.db2.gz GGXHZIAEAXLXLB-GVDBMIGSSA-N 2 1 350.507 0.635 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@H]2CC[NH+](C)C2)C2CC2)CC[N@H+]1C ZINC001283790651 864520809 /nfs/dbraw/zinc/52/08/09/864520809.db2.gz ONQJHLIJOXDEMN-HLLBOEOZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C2CC2)CC[NH+]1C ZINC001283790651 864520812 /nfs/dbraw/zinc/52/08/12/864520812.db2.gz ONQJHLIJOXDEMN-HLLBOEOZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)CC[NH+]1C ZINC001283790651 864520816 /nfs/dbraw/zinc/52/08/16/864520816.db2.gz ONQJHLIJOXDEMN-HLLBOEOZSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]21)[NH+](C)C ZINC001284178752 864544080 /nfs/dbraw/zinc/54/40/80/864544080.db2.gz MSSIHGYCDGRTSV-SJRVDFGRSA-N 2 1 350.507 0.630 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)CC[N@H+]1C ZINC001284416377 864561679 /nfs/dbraw/zinc/56/16/79/864561679.db2.gz GXZUEQSSZUSCPM-HRCADAONSA-N 2 1 371.913 0.676 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001284532568 864573642 /nfs/dbraw/zinc/57/36/42/864573642.db2.gz KNWTYRUVPZQJON-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001284532568 864573659 /nfs/dbraw/zinc/57/36/59/864573659.db2.gz KNWTYRUVPZQJON-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001288984498 864839447 /nfs/dbraw/zinc/83/94/47/864839447.db2.gz GTZHBKYFAKRHGL-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001288984498 864839456 /nfs/dbraw/zinc/83/94/56/864839456.db2.gz GTZHBKYFAKRHGL-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001288984498 864839467 /nfs/dbraw/zinc/83/94/67/864839467.db2.gz GTZHBKYFAKRHGL-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289393476 865044967 /nfs/dbraw/zinc/04/49/67/865044967.db2.gz SQAGWXKQQZRWMA-OAGGEKHMSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001290985236 865578879 /nfs/dbraw/zinc/57/88/79/865578879.db2.gz OERGDDGVBOQMJK-MDZRGWNJSA-N 2 1 350.507 0.635 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001293362822 865788328 /nfs/dbraw/zinc/78/83/28/865788328.db2.gz SJARNJCOZZJGDH-JKSUJKDBSA-N 2 1 354.495 0.062 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001293362822 865788334 /nfs/dbraw/zinc/78/83/34/865788334.db2.gz SJARNJCOZZJGDH-JKSUJKDBSA-N 2 1 354.495 0.062 10 0 FCAEMP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001295547751 865904974 /nfs/dbraw/zinc/90/49/74/865904974.db2.gz IFAKPYRWJBVLSP-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[C@H](C)C1 ZINC001349634272 866399967 /nfs/dbraw/zinc/39/99/67/866399967.db2.gz IWWHIVMDMMDLHT-DRMAHVMPSA-N 2 1 350.507 0.763 10 0 FCAEMP CC[NH+]1CCN(C2CN(C(=O)CC[NH+]3CCN(C(C)C)CC3)C2)CC1 ZINC001350716601 866667721 /nfs/dbraw/zinc/66/77/21/866667721.db2.gz GCBNFVJCETWYMQ-UHFFFAOYSA-N 2 1 351.539 0.251 10 0 FCAEMP CN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)C1CC1 ZINC001316651928 867373272 /nfs/dbraw/zinc/37/32/72/867373272.db2.gz DCCOWYXOTJQXPA-LSDHHAIUSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001316706479 867413748 /nfs/dbraw/zinc/41/37/48/867413748.db2.gz RJFVPHCAJVMPCH-QLFBSQMISA-N 2 1 352.479 0.350 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCNC(=O)NC(C)C ZINC001316740554 867437131 /nfs/dbraw/zinc/43/71/31/867437131.db2.gz KRXBAYGCJOFSQK-JKSUJKDBSA-N 2 1 353.511 0.759 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCNC(=O)NC(C)C ZINC001316740554 867437136 /nfs/dbraw/zinc/43/71/36/867437136.db2.gz KRXBAYGCJOFSQK-JKSUJKDBSA-N 2 1 353.511 0.759 10 0 FCAEMP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316756190 867453924 /nfs/dbraw/zinc/45/39/24/867453924.db2.gz BNWZWVSWBJCIMX-XHSDSOJGSA-N 2 1 352.523 0.879 10 0 FCAEMP CNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316756190 867453940 /nfs/dbraw/zinc/45/39/40/867453940.db2.gz BNWZWVSWBJCIMX-XHSDSOJGSA-N 2 1 352.523 0.879 10 0 FCAEMP CNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316756190 867453948 /nfs/dbraw/zinc/45/39/48/867453948.db2.gz BNWZWVSWBJCIMX-XHSDSOJGSA-N 2 1 352.523 0.879 10 0 FCAEMP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001317392899 867529427 /nfs/dbraw/zinc/52/94/27/867529427.db2.gz JLRPCUXOGODSSY-MGPQQGTHSA-N 2 1 351.499 0.753 10 0 FCAEMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001317392899 867529432 /nfs/dbraw/zinc/52/94/32/867529432.db2.gz JLRPCUXOGODSSY-MGPQQGTHSA-N 2 1 351.499 0.753 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCCc2ccsc2)CC[N@H+]1C ZINC001317589210 867541860 /nfs/dbraw/zinc/54/18/60/867541860.db2.gz NUHNMPLEVZNJSG-GDBMZVCRSA-N 2 1 366.531 0.795 10 0 FCAEMP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319069660 867820694 /nfs/dbraw/zinc/82/06/94/867820694.db2.gz GGAFGLCZGVSKRX-DJIMGWMZSA-N 2 1 354.495 0.060 10 0 FCAEMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325338867 869854536 /nfs/dbraw/zinc/85/45/36/869854536.db2.gz NGEDJIWIXAREMF-HOTGVXAUSA-N 2 1 350.438 0.803 10 0 FCAEMP CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325338867 869854545 /nfs/dbraw/zinc/85/45/45/869854545.db2.gz NGEDJIWIXAREMF-HOTGVXAUSA-N 2 1 350.438 0.803 10 0 FCAEMP C[NH+]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@H]1c1ccc(F)cc1 ZINC001325494013 869912938 /nfs/dbraw/zinc/91/29/38/869912938.db2.gz IXYWHHUBMHEKDG-JZXOWHBKSA-N 2 1 350.438 0.937 10 0 FCAEMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001325494013 869912944 /nfs/dbraw/zinc/91/29/44/869912944.db2.gz IXYWHHUBMHEKDG-JZXOWHBKSA-N 2 1 350.438 0.937 10 0 FCAEMP C[NH+]1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001325494013 869912951 /nfs/dbraw/zinc/91/29/51/869912951.db2.gz IXYWHHUBMHEKDG-JZXOWHBKSA-N 2 1 350.438 0.937 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC001346156046 871672618 /nfs/dbraw/zinc/67/26/18/871672618.db2.gz LWBJKQVHQAGHMF-UKRRQHHQSA-N 2 1 350.467 0.324 10 0 FCAEMP 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O=[S@@](CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)CC(F)(F)F ZINC001330765703 872804374 /nfs/dbraw/zinc/80/43/74/872804374.db2.gz IXJRSDBVSYHHJS-DEOSSOPVSA-N 2 1 371.469 0.684 10 0 FCAEMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001331476983 873118209 /nfs/dbraw/zinc/11/82/09/873118209.db2.gz VPLFXALVLGQVBL-RCBQFDQVSA-N 2 1 350.438 0.659 10 0 FCAEMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001331476983 873118221 /nfs/dbraw/zinc/11/82/21/873118221.db2.gz VPLFXALVLGQVBL-RCBQFDQVSA-N 2 1 350.438 0.659 10 0 FCAEMP COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001332014488 873335435 /nfs/dbraw/zinc/33/54/35/873335435.db2.gz VEPOBIKMSJGFQU-HLLBOEOZSA-N 2 1 353.467 0.048 10 0 FCAEMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001332014488 873335451 /nfs/dbraw/zinc/33/54/51/873335451.db2.gz VEPOBIKMSJGFQU-HLLBOEOZSA-N 2 1 353.467 0.048 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCCN(C)C2=O)CC[N@H+]1C 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BJUMEACPSHUHNE-ZACQAIPSSA-N 2 1 356.511 0.584 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC[NH+]1C[C@@H](C)O ZINC000181739300 488863818 /nfs/dbraw/zinc/86/38/18/488863818.db2.gz BJUMEACPSHUHNE-ZACQAIPSSA-N 2 1 356.511 0.584 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC[NH+]1C[C@@H](C)O ZINC000181739300 488863819 /nfs/dbraw/zinc/86/38/19/488863819.db2.gz BJUMEACPSHUHNE-ZACQAIPSSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000570566779 491250089 /nfs/dbraw/zinc/25/00/89/491250089.db2.gz INSDLVIYSFGYTR-QLFBSQMISA-N 2 1 364.494 0.820 10 0 FCAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000570566779 491250090 /nfs/dbraw/zinc/25/00/90/491250090.db2.gz INSDLVIYSFGYTR-QLFBSQMISA-N 2 1 364.494 0.820 10 0 FCAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000570566781 491250190 /nfs/dbraw/zinc/25/01/90/491250190.db2.gz INSDLVIYSFGYTR-RBSFLKMASA-N 2 1 364.494 0.820 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000363396426 489462329 /nfs/dbraw/zinc/46/23/29/489462329.db2.gz YTFYXLXCGDKHOW-QGZVFWFLSA-N 2 1 365.522 0.810 10 0 FCAEMP CN(C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423275478 489510755 /nfs/dbraw/zinc/51/07/55/489510755.db2.gz NBXCNPHYMSGEJP-IAGOWNOFSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000563639400 491260423 /nfs/dbraw/zinc/26/04/23/491260423.db2.gz DOUPPLLVETVWDO-HZPDHXFCSA-N 2 1 355.527 0.109 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000563639399 491260618 /nfs/dbraw/zinc/26/06/18/491260618.db2.gz DOUPPLLVETVWDO-HOTGVXAUSA-N 2 1 355.527 0.109 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)C[C@H](C)O1 ZINC000415757812 489550660 /nfs/dbraw/zinc/55/06/60/489550660.db2.gz HHWVFAHTZZVKNR-WIHIRCLASA-N 2 1 372.469 0.568 10 0 FCAEMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000570794526 491264782 /nfs/dbraw/zinc/26/47/82/491264782.db2.gz WPKXWVCAQRTTJS-FQEVSTJZSA-N 2 1 362.518 0.217 10 0 FCAEMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)ccn1 ZINC000417953264 489673149 /nfs/dbraw/zinc/67/31/49/489673149.db2.gz PDRYYTMGRKZVSA-KRWDZBQOSA-N 2 1 353.442 0.865 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000429316422 489681458 /nfs/dbraw/zinc/68/14/58/489681458.db2.gz LNQPNGYEXWKEMA-IRXDYDNUSA-N 2 1 361.486 0.922 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000458542991 489688192 /nfs/dbraw/zinc/68/81/92/489688192.db2.gz CFBKGFRWAVJUSX-OKZBNKHCSA-N 2 1 368.522 0.510 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000418808418 489733122 /nfs/dbraw/zinc/73/31/22/489733122.db2.gz DYXODZNFIDKSLS-XLIONFOSSA-N 2 1 374.485 0.343 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@H+]1Cc1ccccc1 ZINC000418810931 489733634 /nfs/dbraw/zinc/73/36/34/489733634.db2.gz HOHQPPLQQOAPLH-LVCYWYKZSA-N 2 1 370.497 0.978 10 0 FCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418838314 489749095 /nfs/dbraw/zinc/74/90/95/489749095.db2.gz UYTJAFQYNUFGJL-MRXNPFEDSA-N 2 1 366.506 0.396 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000418844202 489753158 /nfs/dbraw/zinc/75/31/58/489753158.db2.gz TVQLPHXYGNNNDS-INIZCTEOSA-N 2 1 360.458 0.379 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418874778 489769653 /nfs/dbraw/zinc/76/96/53/489769653.db2.gz CFIBZBAFEMSRRQ-MORSLUCNSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418874778 489769656 /nfs/dbraw/zinc/76/96/56/489769656.db2.gz CFIBZBAFEMSRRQ-MORSLUCNSA-N 2 1 374.485 0.895 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418876376 489769769 /nfs/dbraw/zinc/76/97/69/489769769.db2.gz GJYUUKBIVMADFM-ANQUJSFKSA-N 2 1 350.507 0.870 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000418879918 489772529 /nfs/dbraw/zinc/77/25/29/489772529.db2.gz OEFLQHSKOZWCBK-OLMNPRSZSA-N 2 1 372.469 0.649 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000418879918 489772532 /nfs/dbraw/zinc/77/25/32/489772532.db2.gz OEFLQHSKOZWCBK-OLMNPRSZSA-N 2 1 372.469 0.649 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418886120 489775472 /nfs/dbraw/zinc/77/54/72/489775472.db2.gz ZWGXWJNHOWSPBM-QZTJIDSGSA-N 2 1 374.485 0.767 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418886120 489775474 /nfs/dbraw/zinc/77/54/74/489775474.db2.gz ZWGXWJNHOWSPBM-QZTJIDSGSA-N 2 1 374.485 0.767 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418885604 489775738 /nfs/dbraw/zinc/77/57/38/489775738.db2.gz ZBKKCZMOYNUCCE-JEBQAFNWSA-N 2 1 374.485 0.800 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418885604 489775744 /nfs/dbraw/zinc/77/57/44/489775744.db2.gz ZBKKCZMOYNUCCE-JEBQAFNWSA-N 2 1 374.485 0.800 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000418900430 489782373 /nfs/dbraw/zinc/78/23/73/489782373.db2.gz DAKBNGWSXSSNBE-ZWKOTPCHSA-N 2 1 356.470 0.974 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418900417 489782438 /nfs/dbraw/zinc/78/24/38/489782438.db2.gz DAKBNGWSXSSNBE-MSOLQXFVSA-N 2 1 356.470 0.974 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418907621 489785745 /nfs/dbraw/zinc/78/57/45/489785745.db2.gz GXSGBNHHOBYAQX-MAUKXSAKSA-N 2 1 374.485 0.249 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418914480 489788511 /nfs/dbraw/zinc/78/85/11/489788511.db2.gz FRRMLWOUAYJNKO-MRXNPFEDSA-N 2 1 368.522 0.627 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000418916882 489791521 /nfs/dbraw/zinc/79/15/21/489791521.db2.gz XRVRSQQLBYYVEC-IKGGRYGDSA-N 2 1 360.458 0.043 10 0 FCAEMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459952657 489803107 /nfs/dbraw/zinc/80/31/07/489803107.db2.gz NJYJVXJPIANMOB-UHFFFAOYSA-N 2 1 362.518 0.875 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418973268 489808162 /nfs/dbraw/zinc/80/81/62/489808162.db2.gz DGRMBEKHUXZQKE-KRWDZBQOSA-N 2 1 364.409 0.519 10 0 FCAEMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000419040057 489830525 /nfs/dbraw/zinc/83/05/25/489830525.db2.gz LPUZRQXKCCQPAF-AWEZNQCLSA-N 2 1 373.457 0.710 10 0 FCAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1(C)C ZINC000564082963 491287994 /nfs/dbraw/zinc/28/79/94/491287994.db2.gz DMZHUBPMZNGCDH-YBSITQRDSA-N 2 1 352.523 0.852 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420114422 489917256 /nfs/dbraw/zinc/91/72/56/489917256.db2.gz JMZRSDMHOZXXQN-KANFNMMFSA-N 2 1 370.497 0.691 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420120205 489918857 /nfs/dbraw/zinc/91/88/57/489918857.db2.gz OFOQNUQQLVVZGB-CJNGLKHVSA-N 2 1 360.458 0.874 10 0 FCAEMP CON(C)C(=O)CC[N@@H+](C)[C@H]1CCC[NH+](CCC(=O)N(C)OC)CC1 ZINC000377569665 489921659 /nfs/dbraw/zinc/92/16/59/489921659.db2.gz WNMSKPXDWSMOBE-HNNXBMFYSA-N 2 1 358.483 0.593 10 0 FCAEMP CON(C)C(=O)CC[NH+](C)[C@H]1CCC[N@H+](CCC(=O)N(C)OC)CC1 ZINC000377569665 489921662 /nfs/dbraw/zinc/92/16/62/489921662.db2.gz WNMSKPXDWSMOBE-HNNXBMFYSA-N 2 1 358.483 0.593 10 0 FCAEMP CON(C)C(=O)CC[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)N(C)OC)CC1 ZINC000377569665 489921666 /nfs/dbraw/zinc/92/16/66/489921666.db2.gz WNMSKPXDWSMOBE-HNNXBMFYSA-N 2 1 358.483 0.593 10 0 FCAEMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000461804889 489941044 /nfs/dbraw/zinc/94/10/44/489941044.db2.gz ZVJQLXLQOCVFTK-INIZCTEOSA-N 2 1 355.527 0.912 10 0 FCAEMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000461804889 489941048 /nfs/dbraw/zinc/94/10/48/489941048.db2.gz ZVJQLXLQOCVFTK-INIZCTEOSA-N 2 1 355.527 0.912 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000477683860 489984929 /nfs/dbraw/zinc/98/49/29/489984929.db2.gz SKRRYQPAMIWULX-GOEBONIOSA-N 2 1 350.507 0.966 10 0 FCAEMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000462628208 489985240 /nfs/dbraw/zinc/98/52/40/489985240.db2.gz ZAYLSTYSZWVGMD-MRXNPFEDSA-N 2 1 355.527 0.912 10 0 FCAEMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000462628208 489985243 /nfs/dbraw/zinc/98/52/43/489985243.db2.gz ZAYLSTYSZWVGMD-MRXNPFEDSA-N 2 1 355.527 0.912 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000556108342 491295005 /nfs/dbraw/zinc/29/50/05/491295005.db2.gz ONSLYFOPKVOLKO-CVEARBPZSA-N 2 1 354.495 0.204 10 0 FCAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000378247212 490033026 /nfs/dbraw/zinc/03/30/26/490033026.db2.gz KCNDIRWSFOIAFB-VQHPVUNQSA-N 2 1 359.536 0.842 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CCO)CC2)C1 ZINC000421043990 490045147 /nfs/dbraw/zinc/04/51/47/490045147.db2.gz RXIAMMSGRSCQFB-MSOLQXFVSA-N 2 1 355.523 0.944 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)C1 ZINC000421043990 490045152 /nfs/dbraw/zinc/04/51/52/490045152.db2.gz RXIAMMSGRSCQFB-MSOLQXFVSA-N 2 1 355.523 0.944 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](CCO)CC2)C1 ZINC000421043990 490045157 /nfs/dbraw/zinc/04/51/57/490045157.db2.gz RXIAMMSGRSCQFB-MSOLQXFVSA-N 2 1 355.523 0.944 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1C ZINC000440958892 490051163 /nfs/dbraw/zinc/05/11/63/490051163.db2.gz XBCAVDASPUUAEH-ZFWWWQNUSA-N 2 1 356.430 1.147 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000545150791 490084883 /nfs/dbraw/zinc/08/48/83/490084883.db2.gz WDFNNJJDLZRKQY-MRXNPFEDSA-N 2 1 351.495 0.525 10 0 FCAEMP CC1=CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000545150791 490084888 /nfs/dbraw/zinc/08/48/88/490084888.db2.gz WDFNNJJDLZRKQY-MRXNPFEDSA-N 2 1 351.495 0.525 10 0 FCAEMP CC1=CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000545150791 490084893 /nfs/dbraw/zinc/08/48/93/490084893.db2.gz WDFNNJJDLZRKQY-MRXNPFEDSA-N 2 1 351.495 0.525 10 0 FCAEMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000496263115 490108927 /nfs/dbraw/zinc/10/89/27/490108927.db2.gz HYQXCBASAAFUJA-JKSUJKDBSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496263115 490108930 /nfs/dbraw/zinc/10/89/30/490108930.db2.gz HYQXCBASAAFUJA-JKSUJKDBSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496263115 490108938 /nfs/dbraw/zinc/10/89/38/490108938.db2.gz HYQXCBASAAFUJA-JKSUJKDBSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382750664 490128972 /nfs/dbraw/zinc/12/89/72/490128972.db2.gz FRMZZRFWDLBGRT-AEFFLSMTSA-N 2 1 367.515 0.901 10 0 FCAEMP C[C@@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000398135437 490166768 /nfs/dbraw/zinc/16/67/68/490166768.db2.gz KTHLDYFUOOTQDB-OIISXLGYSA-N 2 1 353.488 0.557 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000398083574 490166783 /nfs/dbraw/zinc/16/67/83/490166783.db2.gz SPXHRHJYHUAZPD-KBAYOESNSA-N 2 1 367.515 0.805 10 0 FCAEMP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000447003581 490180696 /nfs/dbraw/zinc/18/06/96/490180696.db2.gz TXGLMIXNCDXEJD-LSDHHAIUSA-N 2 1 353.467 0.077 10 0 FCAEMP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000408071292 490238333 /nfs/dbraw/zinc/23/83/33/490238333.db2.gz MXDCEDCUHAOQEH-SJORKVTESA-N 2 1 365.522 0.665 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000533985669 490307550 /nfs/dbraw/zinc/30/75/50/490307550.db2.gz XEOUUHMOHYVCCL-HNNXBMFYSA-N 2 1 352.483 0.583 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)n(C)n1 ZINC000547839531 490365245 /nfs/dbraw/zinc/36/52/45/490365245.db2.gz JRGUMPBDCDKTNR-CQSZACIVSA-N 2 1 352.483 1.309 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCCOC)[C@H](C)C1 ZINC000509713555 490453602 /nfs/dbraw/zinc/45/36/02/490453602.db2.gz KLJPAOHBVDSJMN-HZPDHXFCSA-N 2 1 356.511 0.260 10 0 FCAEMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCOC)[C@H](C)C1 ZINC000509713555 490453608 /nfs/dbraw/zinc/45/36/08/490453608.db2.gz KLJPAOHBVDSJMN-HZPDHXFCSA-N 2 1 356.511 0.260 10 0 FCAEMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCC[N@@H+](C)CCCOC)[C@H](C)C1 ZINC000509713555 490453616 /nfs/dbraw/zinc/45/36/16/490453616.db2.gz KLJPAOHBVDSJMN-HZPDHXFCSA-N 2 1 356.511 0.260 10 0 FCAEMP COC(=O)[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CC[N@H+](C)C1 ZINC000413917595 490516569 /nfs/dbraw/zinc/51/65/69/490516569.db2.gz KEHXNCGKPFFXTG-OAHLLOKOSA-N 2 1 363.458 0.804 10 0 FCAEMP COC(=O)[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+](C)C1 ZINC000413917595 490516575 /nfs/dbraw/zinc/51/65/75/490516575.db2.gz KEHXNCGKPFFXTG-OAHLLOKOSA-N 2 1 363.458 0.804 10 0 FCAEMP CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC12COC2 ZINC000451125924 490518752 /nfs/dbraw/zinc/51/87/52/490518752.db2.gz PBUGJPFEXZODGN-HNNXBMFYSA-N 2 1 353.463 0.098 10 0 FCAEMP CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC12COC2 ZINC000451125924 490518757 /nfs/dbraw/zinc/51/87/57/490518757.db2.gz PBUGJPFEXZODGN-HNNXBMFYSA-N 2 1 353.463 0.098 10 0 FCAEMP CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423066304 490535236 /nfs/dbraw/zinc/53/52/36/490535236.db2.gz DLDFEGJABQLKCH-QZTJIDSGSA-N 2 1 374.485 0.296 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423066650 490535464 /nfs/dbraw/zinc/53/54/64/490535464.db2.gz FCOMPIDJQYBNJY-KSZLIROESA-N 2 1 356.470 0.397 10 0 FCAEMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000536998320 490633717 /nfs/dbraw/zinc/63/37/17/490633717.db2.gz PCWMHSLMDFWLCI-DZGCQCFKSA-N 2 1 368.503 0.572 10 0 FCAEMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000536998320 490633721 /nfs/dbraw/zinc/63/37/21/490633721.db2.gz PCWMHSLMDFWLCI-DZGCQCFKSA-N 2 1 368.503 0.572 10 0 FCAEMP NC(=O)C[C@H]1CCCC[N@H+]1CCOCC[NH+]1CCCC[C@H]1CC(N)=O ZINC000487533047 490717427 /nfs/dbraw/zinc/71/74/27/490717427.db2.gz GENRBLKTIHBFKE-IYBDPMFKSA-N 2 1 354.495 0.463 10 0 FCAEMP NC(=O)C[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000487533047 490717430 /nfs/dbraw/zinc/71/74/30/490717430.db2.gz GENRBLKTIHBFKE-IYBDPMFKSA-N 2 1 354.495 0.463 10 0 FCAEMP NC(=O)C[C@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000487533047 490717431 /nfs/dbraw/zinc/71/74/31/490717431.db2.gz GENRBLKTIHBFKE-IYBDPMFKSA-N 2 1 354.495 0.463 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000572252196 491358067 /nfs/dbraw/zinc/35/80/67/491358067.db2.gz RQKLGGSJDZHYHX-YESZJQIVSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000572252196 491358068 /nfs/dbraw/zinc/35/80/68/491358068.db2.gz RQKLGGSJDZHYHX-YESZJQIVSA-N 2 1 368.522 0.450 10 0 FCAEMP O=C(NCCC[NH+]1CCOCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529283677 490847373 /nfs/dbraw/zinc/84/73/73/490847373.db2.gz VWJXDQUSUGZBGI-KRWDZBQOSA-N 2 1 354.495 0.509 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000529308303 490849259 /nfs/dbraw/zinc/84/92/59/490849259.db2.gz FRQPDAKBSQXCNT-IRXDYDNUSA-N 2 1 354.495 0.507 10 0 FCAEMP [NH3+]C1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCCCC1 ZINC000516959909 490887675 /nfs/dbraw/zinc/88/76/75/490887675.db2.gz CQKOBSRRKIIRMR-HNNXBMFYSA-N 2 1 351.495 0.644 10 0 FCAEMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517570196 490912436 /nfs/dbraw/zinc/91/24/36/490912436.db2.gz UPTPTUHDXVCSKF-DLBZAZTESA-N 2 1 364.490 0.053 10 0 FCAEMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000518049407 490929070 /nfs/dbraw/zinc/92/90/70/490929070.db2.gz YXOGMMLNZJSXNN-ARFHVFGLSA-N 2 1 366.506 0.692 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]3COCC[C@H]32)C1 ZINC000531547655 490963522 /nfs/dbraw/zinc/96/35/22/490963522.db2.gz IUSZHJFFVLSSHM-RCCFBDPRSA-N 2 1 353.507 0.960 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000519535459 490974918 /nfs/dbraw/zinc/97/49/18/490974918.db2.gz AGAKXBIRKVSQJR-OWCLPIDISA-N 2 1 354.495 0.284 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000519754921 490988305 /nfs/dbraw/zinc/98/83/05/490988305.db2.gz KJZXYEVQMASAKC-XDNAFOTISA-N 2 1 356.470 0.901 10 0 FCAEMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614068800 492013188 /nfs/dbraw/zinc/01/31/88/492013188.db2.gz PKWLHMDYWMYGKD-UXHICEINSA-N 2 1 361.486 0.539 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562667694 491179682 /nfs/dbraw/zinc/17/96/82/491179682.db2.gz BDPIEHFLJIBYCK-BZSNNMDCSA-N 2 1 368.522 0.776 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562667694 491179683 /nfs/dbraw/zinc/17/96/83/491179683.db2.gz BDPIEHFLJIBYCK-BZSNNMDCSA-N 2 1 368.522 0.776 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000557491331 491377166 /nfs/dbraw/zinc/37/71/66/491377166.db2.gz CQZJSXAUGZMCLT-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000557492677 491378118 /nfs/dbraw/zinc/37/81/18/491378118.db2.gz GCTOASFYZOOWHH-IKGGRYGDSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@H]1C ZINC000557492677 491378120 /nfs/dbraw/zinc/37/81/20/491378120.db2.gz GCTOASFYZOOWHH-IKGGRYGDSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@H]1C ZINC000557492677 491378121 /nfs/dbraw/zinc/37/81/21/491378121.db2.gz GCTOASFYZOOWHH-IKGGRYGDSA-N 2 1 368.522 0.545 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000557495511 491378213 /nfs/dbraw/zinc/37/82/13/491378213.db2.gz XRRBVJXKKGARIP-HRCADAONSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)NC2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC2)C1 ZINC000565550181 491384448 /nfs/dbraw/zinc/38/44/48/491384448.db2.gz QKMXODJLHHFQHV-HOTGVXAUSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC2)C1 ZINC000565550181 491384452 /nfs/dbraw/zinc/38/44/52/491384452.db2.gz QKMXODJLHHFQHV-HOTGVXAUSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)NCC2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC2)C1 ZINC000565550181 491384455 /nfs/dbraw/zinc/38/44/55/491384455.db2.gz QKMXODJLHHFQHV-HOTGVXAUSA-N 2 1 350.507 0.825 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000572649076 491384759 /nfs/dbraw/zinc/38/47/59/491384759.db2.gz ZUPLMSXVEBMRSB-MJGOQNOKSA-N 2 1 352.523 0.535 10 0 FCAEMP CC1=C[C@H](C)C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000572793173 491393922 /nfs/dbraw/zinc/39/39/22/491393922.db2.gz IMXAGRDCUONYGX-AWEZNQCLSA-N 2 1 369.473 0.910 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000668360059 493340533 /nfs/dbraw/zinc/34/05/33/493340533.db2.gz OOXINBWAFOXMFT-INIZCTEOSA-N 2 1 366.506 0.035 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566095059 491417022 /nfs/dbraw/zinc/41/70/22/491417022.db2.gz BJGOFXIUUXUYJH-OAHLLOKOSA-N 2 1 364.494 0.633 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCc3c(cnn3C)C2)C1 ZINC000573334891 491427120 /nfs/dbraw/zinc/42/71/20/491427120.db2.gz ORJQJTLTLDNFEA-KRWDZBQOSA-N 2 1 363.506 0.641 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCc3c(cnn3C)C2)C1 ZINC000573334891 491427122 /nfs/dbraw/zinc/42/71/22/491427122.db2.gz ORJQJTLTLDNFEA-KRWDZBQOSA-N 2 1 363.506 0.641 10 0 FCAEMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000566250328 491431150 /nfs/dbraw/zinc/43/11/50/491431150.db2.gz QUTSAVGYBJPENC-QGZVFWFLSA-N 2 1 366.506 0.063 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](O)C23CCCC3)C1 ZINC000574021026 491469181 /nfs/dbraw/zinc/46/91/81/491469181.db2.gz LJVGYMYGHNKBAJ-DLBZAZTESA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC000574021026 491469183 /nfs/dbraw/zinc/46/91/83/491469183.db2.gz LJVGYMYGHNKBAJ-DLBZAZTESA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC000574021026 491469185 /nfs/dbraw/zinc/46/91/85/491469185.db2.gz LJVGYMYGHNKBAJ-DLBZAZTESA-N 2 1 353.507 0.839 10 0 FCAEMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566845861 491470221 /nfs/dbraw/zinc/47/02/21/491470221.db2.gz CSRZIJXLIPPRAV-DNVCBOLYSA-N 2 1 350.507 0.825 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000574329836 491489712 /nfs/dbraw/zinc/48/97/12/491489712.db2.gz NHIHEADHWIJTOH-OALUTQOASA-N 3 1 366.550 0.923 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000574329837 491489719 /nfs/dbraw/zinc/48/97/19/491489719.db2.gz NHIHEADHWIJTOH-RBUKOAKNSA-N 3 1 366.550 0.923 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509902 491501791 /nfs/dbraw/zinc/50/17/91/491501791.db2.gz PWEYDONHPWTDRF-IAGOWNOFSA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509902 491501794 /nfs/dbraw/zinc/50/17/94/491501794.db2.gz PWEYDONHPWTDRF-IAGOWNOFSA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)C1 ZINC000574509902 491501796 /nfs/dbraw/zinc/50/17/96/491501796.db2.gz PWEYDONHPWTDRF-IAGOWNOFSA-N 2 1 353.507 0.839 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000559922511 491509901 /nfs/dbraw/zinc/50/99/01/491509901.db2.gz JFUDFNMXLVJXKS-UHFFFAOYSA-N 2 1 354.495 0.204 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000560023715 491516055 /nfs/dbraw/zinc/51/60/55/491516055.db2.gz HGYIYQSTOWMWAW-IAGOWNOFSA-N 2 1 350.507 0.968 10 0 FCAEMP CN(C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000560293134 491528795 /nfs/dbraw/zinc/52/87/95/491528795.db2.gz CXGBWJYLWNXVSY-MJGOQNOKSA-N 2 1 372.513 0.971 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000560339777 491533034 /nfs/dbraw/zinc/53/30/34/491533034.db2.gz NCCKMPJVFXDHEQ-FCGDIQPGSA-N 2 1 355.523 0.501 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+](C)C 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ZINC000656259470 492567058 /nfs/dbraw/zinc/56/70/58/492567058.db2.gz IUDIBSADSDHMTF-USXIJHARSA-N 2 1 359.536 0.937 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(C3(O)CC3)CC2)C1 ZINC000649674937 492569867 /nfs/dbraw/zinc/56/98/67/492569867.db2.gz ILZIBHLFUNPGPU-KRWDZBQOSA-N 2 1 353.507 0.696 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@@H](C)CO)CC2)C1 ZINC000649804799 492584126 /nfs/dbraw/zinc/58/41/26/492584126.db2.gz INQRQQZQPVWDMG-FUHWJXTLSA-N 2 1 355.523 0.800 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC000650558277 492650411 /nfs/dbraw/zinc/65/04/11/492650411.db2.gz JPWBIEQDCOVRON-CQSZACIVSA-N 2 1 351.451 0.298 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629801867 492679130 /nfs/dbraw/zinc/67/91/30/492679130.db2.gz CPDBKCQBNFTZBV-DOTOQJQBSA-N 2 1 366.506 0.156 10 0 FCAEMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625473073 492791818 /nfs/dbraw/zinc/79/18/18/492791818.db2.gz WVRZDJCUONLEDU-QGZVFWFLSA-N 2 1 350.507 0.920 10 0 FCAEMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625472299 492792000 /nfs/dbraw/zinc/79/20/00/492792000.db2.gz PPYUHJIULZIUGR-INIZCTEOSA-N 2 1 354.495 0.156 10 0 FCAEMP Cc1cn(C)nc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000657824621 492799227 /nfs/dbraw/zinc/79/92/27/492799227.db2.gz RHISVYFYBWDMDX-UHFFFAOYSA-N 2 1 350.467 0.151 10 0 FCAEMP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2n1 ZINC000657980297 492824935 /nfs/dbraw/zinc/82/49/35/492824935.db2.gz AVRSVJLQAMVJOJ-OAHLLOKOSA-N 2 1 359.430 0.544 10 0 FCAEMP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCCCN3CCO)cc2n1 ZINC000657980297 492824939 /nfs/dbraw/zinc/82/49/39/492824939.db2.gz AVRSVJLQAMVJOJ-OAHLLOKOSA-N 2 1 359.430 0.544 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C[C@H]1C[NH3+] ZINC000631838381 492859935 /nfs/dbraw/zinc/85/99/35/492859935.db2.gz NKQUHAOQKKBTBJ-VQIMIIECSA-N 2 1 372.513 0.792 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C[C@H]1C[NH3+] ZINC000631838381 492859937 /nfs/dbraw/zinc/85/99/37/492859937.db2.gz NKQUHAOQKKBTBJ-VQIMIIECSA-N 2 1 372.513 0.792 10 0 FCAEMP CC(C)(CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631911898 492878081 /nfs/dbraw/zinc/87/80/81/492878081.db2.gz UEEDFHKFPWRHTA-KRWDZBQOSA-N 2 1 367.515 0.731 10 0 FCAEMP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631916514 492882041 /nfs/dbraw/zinc/88/20/41/492882041.db2.gz XUDUDZGMBDEWKN-PBHICJAKSA-N 2 1 353.488 0.341 10 0 FCAEMP C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631916514 492882044 /nfs/dbraw/zinc/88/20/44/492882044.db2.gz XUDUDZGMBDEWKN-PBHICJAKSA-N 2 1 353.488 0.341 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924430 492887142 /nfs/dbraw/zinc/88/71/42/492887142.db2.gz VAZQMDXIPANUOC-SJORKVTESA-N 2 1 353.488 0.511 10 0 FCAEMP C[NH2+]CCOCCNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000625850709 492893586 /nfs/dbraw/zinc/89/35/86/492893586.db2.gz JEEQOMNWPABOAK-UHFFFAOYSA-N 2 1 350.463 0.919 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000632026653 492913468 /nfs/dbraw/zinc/91/34/68/492913468.db2.gz JVEPGKOCBQQEBC-IRXDYDNUSA-N 2 1 360.568 0.616 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1CC[NH3+] ZINC000652354533 492914551 /nfs/dbraw/zinc/91/45/51/492914551.db2.gz BIVXLUWICFFOQM-UONOGXRCSA-N 2 1 362.478 0.273 10 0 FCAEMP CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626167754 492940379 /nfs/dbraw/zinc/94/03/79/492940379.db2.gz BVUOPZLGIIXNQD-HNNXBMFYSA-N 2 1 374.551 0.237 10 0 FCAEMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626167754 492940385 /nfs/dbraw/zinc/94/03/85/492940385.db2.gz BVUOPZLGIIXNQD-HNNXBMFYSA-N 2 1 374.551 0.237 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCO1 ZINC000658576443 492963520 /nfs/dbraw/zinc/96/35/20/492963520.db2.gz HBFRZSPHKSEBPP-KRWDZBQOSA-N 2 1 366.506 0.252 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000652625230 492972591 /nfs/dbraw/zinc/97/25/91/492972591.db2.gz ZUMRZCATXWQELF-OAHLLOKOSA-N 2 1 361.490 0.930 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000652665368 492982178 /nfs/dbraw/zinc/98/21/78/492982178.db2.gz AINQEPATJZGCSJ-UHFFFAOYSA-N 2 1 366.506 0.383 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000658632553 492987089 /nfs/dbraw/zinc/98/70/89/492987089.db2.gz AXZNPGGYLBYRBA-SFHVURJKSA-N 2 1 358.486 0.739 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684650 492989905 /nfs/dbraw/zinc/98/99/05/492989905.db2.gz UCQXGRKXIQTGHB-RDJZCZTQSA-N 2 1 358.486 0.868 10 0 FCAEMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)CCO2 ZINC000646104560 493013267 /nfs/dbraw/zinc/01/32/67/493013267.db2.gz QSOUIQSGOUISMA-HNNXBMFYSA-N 2 1 364.442 0.952 10 0 FCAEMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)CCO2 ZINC000646104560 493013270 /nfs/dbraw/zinc/01/32/70/493013270.db2.gz QSOUIQSGOUISMA-HNNXBMFYSA-N 2 1 364.442 0.952 10 0 FCAEMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809094 493023796 /nfs/dbraw/zinc/02/37/96/493023796.db2.gz BYDYGUMUVMMNEP-LRDDRELGSA-N 2 1 358.442 0.706 10 0 FCAEMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817966 493025788 /nfs/dbraw/zinc/02/57/88/493025788.db2.gz WLTJGEDAUMJPDL-XJKSGUPXSA-N 2 1 360.458 0.906 10 0 FCAEMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1=O ZINC000646239877 493032669 /nfs/dbraw/zinc/03/26/69/493032669.db2.gz LYBNAPVGWQGPID-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000646239877 493032671 /nfs/dbraw/zinc/03/26/71/493032671.db2.gz LYBNAPVGWQGPID-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1=O ZINC000646239877 493032676 /nfs/dbraw/zinc/03/26/76/493032676.db2.gz LYBNAPVGWQGPID-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000632597811 493041023 /nfs/dbraw/zinc/04/10/23/493041023.db2.gz DDXNDFIIRLKZRJ-QGZVFWFLSA-N 2 1 358.552 0.560 10 0 FCAEMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000632597810 493041390 /nfs/dbraw/zinc/04/13/90/493041390.db2.gz DDXNDFIIRLKZRJ-KRWDZBQOSA-N 2 1 358.552 0.560 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[NH2+]1 ZINC000626930183 493065603 /nfs/dbraw/zinc/06/56/03/493065603.db2.gz MEHNJJUMKSLICI-CVEARBPZSA-N 2 1 361.494 0.428 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626938516 493067251 /nfs/dbraw/zinc/06/72/51/493067251.db2.gz GONOSTRWSYZLMO-KRWDZBQOSA-N 2 1 356.511 0.755 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000626937350 493067628 /nfs/dbraw/zinc/06/76/28/493067628.db2.gz RMOIBZQQKUEPSF-UHFFFAOYSA-N 2 1 367.469 0.483 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000626941830 493068621 /nfs/dbraw/zinc/06/86/21/493068621.db2.gz FLGVRKYHFRPGNC-UHFFFAOYSA-N 2 1 350.463 0.683 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826698 493074309 /nfs/dbraw/zinc/07/43/09/493074309.db2.gz RKODSVDHKVWIOB-IRXDYDNUSA-N 2 1 350.507 0.873 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000626985083 493074876 /nfs/dbraw/zinc/07/48/76/493074876.db2.gz CBCMJABVNCWUSG-KRWDZBQOSA-N 2 1 363.506 0.732 10 0 FCAEMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125109 493075941 /nfs/dbraw/zinc/07/59/41/493075941.db2.gz STQSZMMCMWZSQP-ZWOKBUDYSA-N 2 1 358.486 0.549 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646639176 493076288 /nfs/dbraw/zinc/07/62/88/493076288.db2.gz HELIMJYOSOCSAO-IAGOWNOFSA-N 2 1 350.507 0.921 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000627034205 493083396 /nfs/dbraw/zinc/08/33/96/493083396.db2.gz DKZCYLUVAILVKY-GWONACJQSA-N 2 1 351.495 0.510 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163797 493098705 /nfs/dbraw/zinc/09/87/05/493098705.db2.gz XOJQZWTTYBTATI-INIZCTEOSA-N 3 1 355.527 0.552 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627197235 493106196 /nfs/dbraw/zinc/10/61/96/493106196.db2.gz ZMRVWOGWJPPXOY-GOEBONIOSA-N 2 1 351.495 0.323 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633077887 493116645 /nfs/dbraw/zinc/11/66/45/493116645.db2.gz FTTVMIQCADUXHA-NXHRZFHOSA-N 2 1 358.486 0.773 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627296985 493139274 /nfs/dbraw/zinc/13/92/74/493139274.db2.gz YYJLEEAYOWWZML-JLSDUUJJSA-N 2 1 374.485 0.126 10 0 FCAEMP CN(C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659072121 493139877 /nfs/dbraw/zinc/13/98/77/493139877.db2.gz CUVBYLTYYSPAPF-ZWKOTPCHSA-N 2 1 372.469 0.981 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297367 493140420 /nfs/dbraw/zinc/14/04/20/493140420.db2.gz IKCOWWDBAJJMQR-JKSUJKDBSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[N@@H+](C)C1CC1 ZINC000659078386 493142036 /nfs/dbraw/zinc/14/20/36/493142036.db2.gz IDRJPSSHYABGGE-DYVFJYSZSA-N 2 1 360.458 0.885 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659079285 493143008 /nfs/dbraw/zinc/14/30/08/493143008.db2.gz MMDJWQBYZDHVOQ-SJORKVTESA-N 2 1 360.458 0.887 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000627311626 493145863 /nfs/dbraw/zinc/14/58/63/493145863.db2.gz DDRMUEHLQFNWGV-XHDPSFHLSA-N 2 1 359.405 0.803 10 0 FCAEMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084456 493145958 /nfs/dbraw/zinc/14/59/58/493145958.db2.gz ZLBHLZOKYZVYCO-YLJYHZDGSA-N 2 1 372.469 0.840 10 0 FCAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627311667 493145964 /nfs/dbraw/zinc/14/59/64/493145964.db2.gz FAEJBVOLGNBUIZ-DOTOQJQBSA-N 2 1 374.485 0.562 10 0 FCAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627312423 493146775 /nfs/dbraw/zinc/14/67/75/493146775.db2.gz YILMOWHTFFQYLN-FZKCQIBNSA-N 2 1 350.507 0.870 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC000627313357 493147351 /nfs/dbraw/zinc/14/73/51/493147351.db2.gz CBEROZHPULUMGX-TWMKSMIVSA-N 2 1 368.522 0.496 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627314311 493147445 /nfs/dbraw/zinc/14/74/45/493147445.db2.gz ZMRLHWGQYIFYNI-QKPAOTATSA-N 2 1 354.495 0.106 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000627314732 493147556 /nfs/dbraw/zinc/14/75/56/493147556.db2.gz KWZZUQHLKCLFGW-CQSZACIVSA-N 2 1 373.457 0.710 10 0 FCAEMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000627325132 493153964 /nfs/dbraw/zinc/15/39/64/493153964.db2.gz ZGGFHVNXZFFBHH-NUEKZKHPSA-N 2 1 354.495 0.106 10 0 FCAEMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000647085747 493160399 /nfs/dbraw/zinc/16/03/99/493160399.db2.gz VFMAUQPKUIYXJB-ABHNRTSZSA-N 2 1 360.506 0.754 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000627339150 493161432 /nfs/dbraw/zinc/16/14/32/493161432.db2.gz AMGOKZHTSMNBIL-JCGIZDLHSA-N 2 1 358.486 0.806 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000627339150 493161434 /nfs/dbraw/zinc/16/14/34/493161434.db2.gz AMGOKZHTSMNBIL-JCGIZDLHSA-N 2 1 358.486 0.806 10 0 FCAEMP C[NH+](C)CCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000633617298 493172109 /nfs/dbraw/zinc/17/21/09/493172109.db2.gz NKUJPDZNLOGNNL-IBGZPJMESA-N 2 1 371.485 0.941 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccsc1 ZINC000627357526 493174849 /nfs/dbraw/zinc/17/48/49/493174849.db2.gz IKUNICQQCXFSTE-OLMNPRSZSA-N 2 1 364.515 0.925 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627361252 493177815 /nfs/dbraw/zinc/17/78/15/493177815.db2.gz JMBVEIGXWQUDAX-SOLBZPMBSA-N 2 1 373.501 0.180 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000659457504 493183210 /nfs/dbraw/zinc/18/32/10/493183210.db2.gz FXVUMTZNIFVHDJ-KRWDZBQOSA-N 2 1 365.522 0.761 10 0 FCAEMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824688 493185054 /nfs/dbraw/zinc/18/50/54/493185054.db2.gz XKFLPTDNCXZZCI-YZGWKJHDSA-N 2 1 372.513 0.643 10 0 FCAEMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824688 493185061 /nfs/dbraw/zinc/18/50/61/493185061.db2.gz XKFLPTDNCXZZCI-YZGWKJHDSA-N 2 1 372.513 0.643 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000659472861 493187966 /nfs/dbraw/zinc/18/79/66/493187966.db2.gz DBYJZFMSOOJCJW-PBHICJAKSA-N 2 1 356.430 0.886 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394025 493200697 /nfs/dbraw/zinc/20/06/97/493200697.db2.gz UKVIWDOMSPFHBX-CZUORRHYSA-N 2 1 350.438 0.630 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659553517 493211170 /nfs/dbraw/zinc/21/11/70/493211170.db2.gz IXJBARKHHSUJLD-MSOLQXFVSA-N 2 1 361.490 0.090 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659553517 493211175 /nfs/dbraw/zinc/21/11/75/493211175.db2.gz IXJBARKHHSUJLD-MSOLQXFVSA-N 2 1 361.490 0.090 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977719 493244391 /nfs/dbraw/zinc/24/43/91/493244391.db2.gz HLHDURCCLKBZMA-SJORKVTESA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977717 493244445 /nfs/dbraw/zinc/24/44/45/493244445.db2.gz HLHDURCCLKBZMA-IAGOWNOFSA-N 2 1 354.495 0.386 10 0 FCAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659676072 493246727 /nfs/dbraw/zinc/24/67/27/493246727.db2.gz VUHJEZATDGTQQA-RBSFLKMASA-N 2 1 356.486 0.901 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701250 493261579 /nfs/dbraw/zinc/26/15/79/493261579.db2.gz ZPTWTYCRMKBKDS-UVYBKSOCSA-N 2 1 356.470 0.491 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000659706158 493264511 /nfs/dbraw/zinc/26/45/11/493264511.db2.gz FDZNGSHNVSUWPS-ABKMUHTPSA-N 2 1 356.470 0.634 10 0 FCAEMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000682222124 493280056 /nfs/dbraw/zinc/28/00/56/493280056.db2.gz DIHLLOLKDAJDST-UHFFFAOYSA-N 2 1 373.461 0.158 10 0 FCAEMP CCN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659739832 493280548 /nfs/dbraw/zinc/28/05/48/493280548.db2.gz IHXOKXVZADRTKE-WBTXTPOCSA-N 2 1 370.497 0.978 10 0 FCAEMP CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000682233016 493281266 /nfs/dbraw/zinc/28/12/66/493281266.db2.gz SDXMZGOWEOSNJT-OAHLLOKOSA-N 2 1 354.414 0.901 10 0 FCAEMP CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000682233016 493281268 /nfs/dbraw/zinc/28/12/68/493281268.db2.gz SDXMZGOWEOSNJT-OAHLLOKOSA-N 2 1 354.414 0.901 10 0 FCAEMP CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000682233015 493281477 /nfs/dbraw/zinc/28/14/77/493281477.db2.gz SDXMZGOWEOSNJT-HNNXBMFYSA-N 2 1 354.414 0.901 10 0 FCAEMP CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000682233015 493281479 /nfs/dbraw/zinc/28/14/79/493281479.db2.gz SDXMZGOWEOSNJT-HNNXBMFYSA-N 2 1 354.414 0.901 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744214 493282772 /nfs/dbraw/zinc/28/27/72/493282772.db2.gz RZHNZJVZAXMQIS-UHFFFAOYSA-N 2 1 370.497 0.898 10 0 FCAEMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000684385723 493410057 /nfs/dbraw/zinc/41/00/57/493410057.db2.gz ZTEHKBNKOBLMPR-RHSMWYFYSA-N 2 1 363.462 0.641 10 0 FCAEMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000684385723 493410058 /nfs/dbraw/zinc/41/00/58/493410058.db2.gz ZTEHKBNKOBLMPR-RHSMWYFYSA-N 2 1 363.462 0.641 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@@H+](CC)C1 ZINC000668787040 493410369 /nfs/dbraw/zinc/41/03/69/493410369.db2.gz MPHXJMWRAAYLJD-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH+](CC)C1 ZINC000668787040 493410371 /nfs/dbraw/zinc/41/03/71/493410371.db2.gz MPHXJMWRAAYLJD-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[C@@H]1CC[NH+](CC)C1 ZINC000668787040 493410373 /nfs/dbraw/zinc/41/03/73/493410373.db2.gz MPHXJMWRAAYLJD-JKSUJKDBSA-N 2 1 354.495 0.156 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668786866 493410507 /nfs/dbraw/zinc/41/05/07/493410507.db2.gz JFUPNCIDEXUDCF-CABCVRRESA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668786866 493410509 /nfs/dbraw/zinc/41/05/09/493410509.db2.gz JFUPNCIDEXUDCF-CABCVRRESA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668786866 493410511 /nfs/dbraw/zinc/41/05/11/493410511.db2.gz JFUPNCIDEXUDCF-CABCVRRESA-N 2 1 354.495 0.202 10 0 FCAEMP c1cn(C[C@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145831 493411861 /nfs/dbraw/zinc/41/18/61/493411861.db2.gz OQMIEHYVLNWCCF-ROUUACIJSA-N 2 1 374.493 0.230 10 0 FCAEMP c1cn(C[C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@@H](Cn4ccnn4)C3)C2)nn1 ZINC000661145830 493412112 /nfs/dbraw/zinc/41/21/12/493412112.db2.gz OQMIEHYVLNWCCF-QZTJIDSGSA-N 2 1 374.493 0.230 10 0 FCAEMP c1cn(C[C@@H]2CC[N@H+](CCCC[NH+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146498 493412499 /nfs/dbraw/zinc/41/24/99/493412499.db2.gz UCLKNZIQXATEOJ-HDICACEKSA-N 2 1 358.494 0.994 10 0 FCAEMP c1cn(C[C@@H]2CC[NH+](CCCC[N@@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146498 493412502 /nfs/dbraw/zinc/41/25/02/493412502.db2.gz UCLKNZIQXATEOJ-HDICACEKSA-N 2 1 358.494 0.994 10 0 FCAEMP c1cn(C[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146498 493412505 /nfs/dbraw/zinc/41/25/05/493412505.db2.gz UCLKNZIQXATEOJ-HDICACEKSA-N 2 1 358.494 0.994 10 0 FCAEMP O=C(C[NH2+][C@@H](CO)C1CCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661157039 493413230 /nfs/dbraw/zinc/41/32/30/493413230.db2.gz XCNOICJIVMMRAV-KRWDZBQOSA-N 2 1 353.507 0.888 10 0 FCAEMP COC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCOCC1 ZINC000661159091 493414075 /nfs/dbraw/zinc/41/40/75/493414075.db2.gz DPZFGXGQZFRALB-ZWKOTPCHSA-N 2 1 371.522 0.491 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000668830505 493417502 /nfs/dbraw/zinc/41/75/02/493417502.db2.gz DNTKDFICKDXLCR-KRWDZBQOSA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668852988 493422481 /nfs/dbraw/zinc/42/24/81/493422481.db2.gz MSOBMIRUZWFXHF-OAHLLOKOSA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000668892705 493430617 /nfs/dbraw/zinc/43/06/17/493430617.db2.gz JILMXKIYBAFRLP-OAGGEKHMSA-N 2 1 354.495 0.155 10 0 FCAEMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)CC2 ZINC000685342173 493481217 /nfs/dbraw/zinc/48/12/17/493481217.db2.gz YPGZFTCZVQOPNS-VVLHAWIVSA-N 2 1 366.506 0.295 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)CC2 ZINC000685342173 493481219 /nfs/dbraw/zinc/48/12/19/493481219.db2.gz YPGZFTCZVQOPNS-VVLHAWIVSA-N 2 1 366.506 0.295 10 0 FCAEMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000685342173 493481223 /nfs/dbraw/zinc/48/12/23/493481223.db2.gz YPGZFTCZVQOPNS-VVLHAWIVSA-N 2 1 366.506 0.295 10 0 FCAEMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000685342173 493481226 /nfs/dbraw/zinc/48/12/26/493481226.db2.gz YPGZFTCZVQOPNS-VVLHAWIVSA-N 2 1 366.506 0.295 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000669289350 493490331 /nfs/dbraw/zinc/49/03/31/493490331.db2.gz ZWZAALQTMHLDSW-KRWDZBQOSA-N 2 1 368.522 0.545 10 0 FCAEMP O=C1[C@H](N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CCN1c1ccccc1 ZINC000662255538 493500638 /nfs/dbraw/zinc/50/06/38/493500638.db2.gz QSMYAEXFZOPDTN-RBUKOAKNSA-N 2 1 370.497 0.931 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662383294 493511100 /nfs/dbraw/zinc/51/11/00/493511100.db2.gz XDVDPFUEGJDSMN-CYBMUJFWSA-N 2 1 362.478 0.207 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000676089697 493522901 /nfs/dbraw/zinc/52/29/01/493522901.db2.gz MQCJDWZCBXABEC-CZUORRHYSA-N 2 1 354.414 0.949 10 0 FCAEMP C[C@@H]1C[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662670459 493530517 /nfs/dbraw/zinc/53/05/17/493530517.db2.gz FSFAPYDNLSLTFO-OWCLPIDISA-N 2 1 364.494 0.822 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662711693 493533754 /nfs/dbraw/zinc/53/37/54/493533754.db2.gz MPJYDLNDKMAJIR-GJZGRUSLSA-N 2 1 350.467 0.433 10 0 FCAEMP CCN1CC[NH+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757769 493539534 /nfs/dbraw/zinc/53/95/34/493539534.db2.gz NGHSJJXDXCBHLH-MRXNPFEDSA-N 2 1 363.510 0.350 10 0 FCAEMP [NH3+]CCCCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000662857914 493547209 /nfs/dbraw/zinc/54/72/09/493547209.db2.gz CUWPOMGXROMSHB-QGZVFWFLSA-N 2 1 372.473 0.514 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000662920956 493553570 /nfs/dbraw/zinc/55/35/70/493553570.db2.gz BVHCFYUZCZVALO-IAGOWNOFSA-N 2 1 362.449 0.619 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC3(CCC[N@@H+]3C)CC1)c(=O)n2C ZINC000663518408 493593704 /nfs/dbraw/zinc/59/37/04/493593704.db2.gz DOSQKMJMUREXKH-UHFFFAOYSA-N 2 1 374.489 0.384 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC3(CCC[N@H+]3C)CC1)c(=O)n2C ZINC000663518408 493593706 /nfs/dbraw/zinc/59/37/06/493593706.db2.gz DOSQKMJMUREXKH-UHFFFAOYSA-N 2 1 374.489 0.384 10 0 FCAEMP O=C(NCCCC[NH+]1CCOCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663655049 493610138 /nfs/dbraw/zinc/61/01/38/493610138.db2.gz QUMUPSHQWRFXAA-QGZVFWFLSA-N 2 1 354.495 0.339 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000670958537 493612431 /nfs/dbraw/zinc/61/24/31/493612431.db2.gz GMJFEVCJUKTJBB-KRWDZBQOSA-N 2 1 359.474 0.373 10 0 FCAEMP CNC(=O)C1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663853460 493621750 /nfs/dbraw/zinc/62/17/50/493621750.db2.gz GNTLJUHYIXSPQC-FHERZECASA-N 2 1 355.527 0.862 10 0 FCAEMP CNC(=O)C1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663853460 493621751 /nfs/dbraw/zinc/62/17/51/493621751.db2.gz GNTLJUHYIXSPQC-FHERZECASA-N 2 1 355.527 0.862 10 0 FCAEMP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000664062768 493633688 /nfs/dbraw/zinc/63/36/88/493633688.db2.gz IHOGCJIZGUANHO-UHFFFAOYSA-N 2 1 355.527 0.959 10 0 FCAEMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000664062768 493633690 /nfs/dbraw/zinc/63/36/90/493633690.db2.gz IHOGCJIZGUANHO-UHFFFAOYSA-N 2 1 355.527 0.959 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671106894 493635482 /nfs/dbraw/zinc/63/54/82/493635482.db2.gz DXVXHQMCISVJKG-BACDZXNISA-N 2 1 350.507 0.966 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671106051 493635765 /nfs/dbraw/zinc/63/57/65/493635765.db2.gz XPZGAFFARULFQO-DLBZAZTESA-N 2 1 350.507 0.968 10 0 FCAEMP CCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664176774 493641839 /nfs/dbraw/zinc/64/18/39/493641839.db2.gz WZRKRCLKQXTWNA-HZPDHXFCSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664176774 493641843 /nfs/dbraw/zinc/64/18/43/493641843.db2.gz WZRKRCLKQXTWNA-HZPDHXFCSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664176774 493641845 /nfs/dbraw/zinc/64/18/45/493641845.db2.gz WZRKRCLKQXTWNA-HZPDHXFCSA-N 2 1 353.511 0.700 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000664315652 493652527 /nfs/dbraw/zinc/65/25/27/493652527.db2.gz VXRPKCIEASROHY-LBPRGKRZSA-N 2 1 361.446 0.964 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000664315652 493652530 /nfs/dbraw/zinc/65/25/30/493652530.db2.gz VXRPKCIEASROHY-LBPRGKRZSA-N 2 1 361.446 0.964 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000664449657 493660526 /nfs/dbraw/zinc/66/05/26/493660526.db2.gz ZSGRVPKLAAAUDH-ROUUACIJSA-N 2 1 369.554 0.813 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000680482176 493719419 /nfs/dbraw/zinc/71/94/19/493719419.db2.gz BVDLZJHRSFQOOI-KRWDZBQOSA-N 2 1 359.474 0.703 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000680482176 493719421 /nfs/dbraw/zinc/71/94/21/493719421.db2.gz BVDLZJHRSFQOOI-KRWDZBQOSA-N 2 1 359.474 0.703 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000665760606 493734024 /nfs/dbraw/zinc/73/40/24/493734024.db2.gz LKZRWSVXVVRDER-IRXDYDNUSA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000665760606 493734026 /nfs/dbraw/zinc/73/40/26/493734026.db2.gz LKZRWSVXVVRDER-IRXDYDNUSA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000665763828 493735697 /nfs/dbraw/zinc/73/56/97/493735697.db2.gz NAAJOLPMIOWXES-HOTGVXAUSA-N 2 1 363.510 0.944 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000665763828 493735699 /nfs/dbraw/zinc/73/56/99/493735699.db2.gz NAAJOLPMIOWXES-HOTGVXAUSA-N 2 1 363.510 0.944 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](CC(N)=O)CC1)c1ccc(F)cc1 ZINC000091645912 522069625 /nfs/dbraw/zinc/06/96/25/522069625.db2.gz QFHTYPSBJMWDSA-MRXNPFEDSA-N 2 1 350.438 0.742 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000187997711 528017025 /nfs/dbraw/zinc/01/70/25/528017025.db2.gz ZJEORZJQYMCJPN-LMMKCTJWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000187997711 528017041 /nfs/dbraw/zinc/01/70/41/528017041.db2.gz ZJEORZJQYMCJPN-LMMKCTJWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000187997711 528017047 /nfs/dbraw/zinc/01/70/47/528017047.db2.gz ZJEORZJQYMCJPN-LMMKCTJWSA-N 2 1 355.523 0.942 10 0 FCAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000453823733 536034891 /nfs/dbraw/zinc/03/48/91/536034891.db2.gz SEMLTMTWXXVJIM-QGZVFWFLSA-N 2 1 362.474 0.650 10 0 FCAEMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419782039 536350594 /nfs/dbraw/zinc/35/05/94/536350594.db2.gz SSTPRCCIDMOGPJ-IAGOWNOFSA-N 2 1 373.501 0.791 10 0 FCAEMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419782039 536350596 /nfs/dbraw/zinc/35/05/96/536350596.db2.gz SSTPRCCIDMOGPJ-IAGOWNOFSA-N 2 1 373.501 0.791 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419904682 536355255 /nfs/dbraw/zinc/35/52/55/536355255.db2.gz XWDODXYIYYQQNC-GVDBMIGSSA-N 2 1 365.522 0.001 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000553278121 547266268 /nfs/dbraw/zinc/26/62/68/547266268.db2.gz HZXMTTRFAYJMON-MRXNPFEDSA-N 2 1 354.495 0.202 10 0 FCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903759795 665983250 /nfs/dbraw/zinc/98/32/50/665983250.db2.gz QKITUYFLKXMHAN-LOWDOPEQSA-N 2 1 362.396 0.277 10 0 FCAEMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368800 664410618 /nfs/dbraw/zinc/41/06/18/664410618.db2.gz YYEISSIADNUVGO-DLBZAZTESA-N 2 1 350.507 0.921 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896898982 665128580 /nfs/dbraw/zinc/12/85/80/665128580.db2.gz WZHHCBWLRGYQAB-MRXNPFEDSA-N 2 1 352.523 0.487 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925166253 665176452 /nfs/dbraw/zinc/17/64/52/665176452.db2.gz ZXWXEEYPFKIQIA-HRCADAONSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925166253 665176454 /nfs/dbraw/zinc/17/64/54/665176454.db2.gz ZXWXEEYPFKIQIA-HRCADAONSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925166253 665176456 /nfs/dbraw/zinc/17/64/56/665176456.db2.gz ZXWXEEYPFKIQIA-HRCADAONSA-N 2 1 356.536 0.712 10 0 FCAEMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@@H]21 ZINC000905026875 666003438 /nfs/dbraw/zinc/00/34/38/666003438.db2.gz KAYRIAWYKLAXPB-HLPPOEQASA-N 2 1 351.447 0.197 10 0 FCAEMP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@@H]21 ZINC000905026875 666003441 /nfs/dbraw/zinc/00/34/41/666003441.db2.gz KAYRIAWYKLAXPB-HLPPOEQASA-N 2 1 351.447 0.197 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906488032 666054414 /nfs/dbraw/zinc/05/44/14/666054414.db2.gz KEAHWTLLWCYCMR-SFHVURJKSA-N 3 1 353.555 0.354 10 0 FCAEMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906488032 666054416 /nfs/dbraw/zinc/05/44/16/666054416.db2.gz KEAHWTLLWCYCMR-SFHVURJKSA-N 3 1 353.555 0.354 10 0 FCAEMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906488032 666054417 /nfs/dbraw/zinc/05/44/17/666054417.db2.gz KEAHWTLLWCYCMR-SFHVURJKSA-N 3 1 353.555 0.354 10 0 FCAEMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000907782642 666161750 /nfs/dbraw/zinc/16/17/50/666161750.db2.gz NRJXJCCUZRGQNY-MAUKXSAKSA-N 2 1 355.479 0.177 10 0 FCAEMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000907782642 666161752 /nfs/dbraw/zinc/16/17/52/666161752.db2.gz NRJXJCCUZRGQNY-MAUKXSAKSA-N 2 1 355.479 0.177 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069034777 666494322 /nfs/dbraw/zinc/49/43/22/666494322.db2.gz RFQUFMJUQPGPHZ-OAHLLOKOSA-N 2 1 374.551 0.669 10 0 FCAEMP O=S(=O)(N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21)N1CC[NH2+]CC1 ZINC000923745068 666501338 /nfs/dbraw/zinc/50/13/38/666501338.db2.gz QVILUSQILHNLGQ-LSDHHAIUSA-N 2 1 366.487 0.119 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000940512826 666553820 /nfs/dbraw/zinc/55/38/20/666553820.db2.gz LLYKLTUONSFXMU-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000940512826 666553825 /nfs/dbraw/zinc/55/38/25/666553825.db2.gz LLYKLTUONSFXMU-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000940512826 666553827 /nfs/dbraw/zinc/55/38/27/666553827.db2.gz LLYKLTUONSFXMU-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929682734 666631842 /nfs/dbraw/zinc/63/18/42/666631842.db2.gz JFXOHTIUZOFDPO-INIZCTEOSA-N 2 1 373.563 0.980 10 0 FCAEMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000913992345 666679188 /nfs/dbraw/zinc/67/91/88/666679188.db2.gz WQSOAXLDVAOKPD-ROUUACIJSA-N 2 1 371.547 0.989 10 0 FCAEMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000913992345 666679194 /nfs/dbraw/zinc/67/91/94/666679194.db2.gz WQSOAXLDVAOKPD-ROUUACIJSA-N 2 1 371.547 0.989 10 0 FCAEMP O=S(=O)(C[C@@]12CC[NH+](C1)CCC2)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000913992345 666679196 /nfs/dbraw/zinc/67/91/96/666679196.db2.gz WQSOAXLDVAOKPD-ROUUACIJSA-N 2 1 371.547 0.989 10 0 FCAEMP O=S(=O)(C[C@@]12CC[NH+](C1)CCC2)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000913992345 666679199 /nfs/dbraw/zinc/67/91/99/666679199.db2.gz WQSOAXLDVAOKPD-ROUUACIJSA-N 2 1 371.547 0.989 10 0 FCAEMP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000919500271 667180798 /nfs/dbraw/zinc/18/07/98/667180798.db2.gz ARSQFLSSZUPAQG-IRXDYDNUSA-N 2 1 369.579 0.893 10 0 FCAEMP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000919500272 667180871 /nfs/dbraw/zinc/18/08/71/667180871.db2.gz ARSQFLSSZUPAQG-SJORKVTESA-N 2 1 369.579 0.893 10 0 FCAEMP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923316816 667824228 /nfs/dbraw/zinc/82/42/28/667824228.db2.gz NQADFGYDJYYOMB-HNNXBMFYSA-N 2 1 353.488 0.584 10 0 FCAEMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 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C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC2CCOCC2)C2CC2)CC[N@H+]1C ZINC001483564966 1196358113 /nfs/dbraw/zinc/35/81/13/1196358113.db2.gz TXDZBLLBCOBISS-KBRIMQKVSA-N 2 1 366.506 0.106 10 0 FCAEMP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000929404770 1196749417 /nfs/dbraw/zinc/74/94/17/1196749417.db2.gz YLRBSQCURFIHHJ-KRWDZBQOSA-N 2 1 366.506 0.204 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc3c(o2)CCCC3)CC[N@@H+]1C ZINC001272426894 1197073532 /nfs/dbraw/zinc/07/35/32/1197073532.db2.gz XTZQADCLKARKGW-IJEWVQPXSA-N 2 1 364.490 0.850 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc3c(o2)CCCC3)CC[N@H+]1C ZINC001272426894 1197073535 /nfs/dbraw/zinc/07/35/35/1197073535.db2.gz XTZQADCLKARKGW-IJEWVQPXSA-N 2 1 364.490 0.850 10 0 FCAEMP C[NH+](C)CC1(O)CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000913680822 1197106483 /nfs/dbraw/zinc/10/64/83/1197106483.db2.gz FAQLZQZZEURMBA-UHFFFAOYSA-N 2 1 374.529 0.719 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000914028732 1197207115 /nfs/dbraw/zinc/20/71/15/1197207115.db2.gz BKNNKSSUXDBPTR-QAPCUYQASA-N 2 1 373.501 0.966 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000914028732 1197207125 /nfs/dbraw/zinc/20/71/25/1197207125.db2.gz BKNNKSSUXDBPTR-QAPCUYQASA-N 2 1 373.501 0.966 10 0 FCAEMP CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000789520041 1201009257 /nfs/dbraw/zinc/00/92/57/1201009257.db2.gz OJSVZZMWHKRHCL-CQSZACIVSA-N 2 1 365.478 0.341 10 0 FCAEMP CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000789520041 1201009263 /nfs/dbraw/zinc/00/92/63/1201009263.db2.gz OJSVZZMWHKRHCL-CQSZACIVSA-N 2 1 365.478 0.341 10 0 FCAEMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000793808066 1201267028 /nfs/dbraw/zinc/26/70/28/1201267028.db2.gz CRAYGCASVLQMPS-OAHLLOKOSA-N 2 1 356.430 0.402 10 0 FCAEMP Cc1nccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000793808066 1201267031 /nfs/dbraw/zinc/26/70/31/1201267031.db2.gz CRAYGCASVLQMPS-OAHLLOKOSA-N 2 1 356.430 0.402 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000810411729 1202946693 /nfs/dbraw/zinc/94/66/93/1202946693.db2.gz UGEKGKHTOAWXQP-LPHOPBHVSA-N 2 1 370.513 0.722 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000810411729 1202946694 /nfs/dbraw/zinc/94/66/94/1202946694.db2.gz UGEKGKHTOAWXQP-LPHOPBHVSA-N 2 1 370.513 0.722 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000810411729 1202946695 /nfs/dbraw/zinc/94/66/95/1202946695.db2.gz UGEKGKHTOAWXQP-LPHOPBHVSA-N 2 1 370.513 0.722 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000845958740 1204573298 /nfs/dbraw/zinc/57/32/98/1204573298.db2.gz DTGWTQYIZLIHPP-CABCVRRESA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000845958740 1204573303 /nfs/dbraw/zinc/57/33/03/1204573303.db2.gz DTGWTQYIZLIHPP-CABCVRRESA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001146979026 1204751047 /nfs/dbraw/zinc/75/10/47/1204751047.db2.gz XYBHRAMTYISGNI-ZFWWWQNUSA-N 2 1 370.494 0.861 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001146979026 1204751052 /nfs/dbraw/zinc/75/10/52/1204751052.db2.gz XYBHRAMTYISGNI-ZFWWWQNUSA-N 2 1 370.494 0.861 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001182551371 1206438649 /nfs/dbraw/zinc/43/86/49/1206438649.db2.gz ADDTUYTUEHGPKB-JKSUJKDBSA-N 2 1 359.474 0.612 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001489042693 1208602110 /nfs/dbraw/zinc/60/21/10/1208602110.db2.gz LRWGLVCDLBLIIL-PBHICJAKSA-N 2 1 361.490 0.934 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001489011723 1208606669 /nfs/dbraw/zinc/60/66/69/1208606669.db2.gz YJKMHSYBMYLDBQ-ZMSDIMECSA-N 2 1 368.522 0.401 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]21 ZINC001489261009 1208700909 /nfs/dbraw/zinc/70/09/09/1208700909.db2.gz GMWMPOPEGKSLDK-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC001489261009 1208700914 /nfs/dbraw/zinc/70/09/14/1208700914.db2.gz GMWMPOPEGKSLDK-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC001489261009 1208700918 /nfs/dbraw/zinc/70/09/18/1208700918.db2.gz GMWMPOPEGKSLDK-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCNS(=O)(=O)CC)[C@@H]2C)CC[N@@H+]1C ZINC001489262118 1208701477 /nfs/dbraw/zinc/70/14/77/1208701477.db2.gz HEPLFQKDIBJPQE-FXUDXRNXSA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCNS(=O)(=O)CC)[C@@H]2C)CC[N@H+]1C ZINC001489262118 1208701483 /nfs/dbraw/zinc/70/14/83/1208701483.db2.gz HEPLFQKDIBJPQE-FXUDXRNXSA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCNS(=O)(=O)CC)[C@@H]2C)CC[NH+]1C ZINC001489262118 1208701489 /nfs/dbraw/zinc/70/14/89/1208701489.db2.gz HEPLFQKDIBJPQE-FXUDXRNXSA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCNS(=O)(=O)CC)[C@@H]2C)CC[NH+]1C ZINC001489262118 1208701492 /nfs/dbraw/zinc/70/14/92/1208701492.db2.gz HEPLFQKDIBJPQE-FXUDXRNXSA-N 2 1 374.551 0.235 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001489230966 1208710653 /nfs/dbraw/zinc/71/06/53/1208710653.db2.gz HTQDFRWWUAGSNT-DJIMGWMZSA-N 2 1 350.507 0.966 10 0 FCAEMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CCOCCO)[C@@H]1C)CC2 ZINC001489286084 1208717281 /nfs/dbraw/zinc/71/72/81/1208717281.db2.gz GLMBEJXITFMSCL-KMFMINBZSA-N 2 1 350.463 0.342 10 0 FCAEMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCOCCO)[C@@H]1C)CC2 ZINC001489286084 1208717283 /nfs/dbraw/zinc/71/72/83/1208717283.db2.gz GLMBEJXITFMSCL-KMFMINBZSA-N 2 1 350.463 0.342 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@H]21 ZINC001489277676 1208755591 /nfs/dbraw/zinc/75/55/91/1208755591.db2.gz OJGDOHMITIDZPQ-QKLQHJQFSA-N 2 1 362.518 0.873 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]21 ZINC001489277676 1208755594 /nfs/dbraw/zinc/75/55/94/1208755594.db2.gz OJGDOHMITIDZPQ-QKLQHJQFSA-N 2 1 362.518 0.873 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]21 ZINC001489277676 1208755596 /nfs/dbraw/zinc/75/55/96/1208755596.db2.gz OJGDOHMITIDZPQ-QKLQHJQFSA-N 2 1 362.518 0.873 10 0 FCAEMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001489481516 1208858676 /nfs/dbraw/zinc/85/86/76/1208858676.db2.gz PIQULYJBBSUAIL-OAGGEKHMSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001489746218 1209094231 /nfs/dbraw/zinc/09/42/31/1209094231.db2.gz SYWQRQKEOLLDDW-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001490042124 1209223230 /nfs/dbraw/zinc/22/32/30/1209223230.db2.gz WBDSPJBSCYYZPT-IKGGRYGDSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001490042124 1209223231 /nfs/dbraw/zinc/22/32/31/1209223231.db2.gz WBDSPJBSCYYZPT-IKGGRYGDSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001490042124 1209223235 /nfs/dbraw/zinc/22/32/35/1209223235.db2.gz WBDSPJBSCYYZPT-IKGGRYGDSA-N 2 1 350.507 0.585 10 0 FCAEMP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001490242410 1209284947 /nfs/dbraw/zinc/28/49/47/1209284947.db2.gz CVWYJLNNAKBFMH-GJYPPUQNSA-N 2 1 352.523 0.974 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001490313822 1209312175 /nfs/dbraw/zinc/31/21/75/1209312175.db2.gz XWRQVFSRMPRSGN-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CC[N@H+]1C ZINC001490705409 1209408862 /nfs/dbraw/zinc/40/88/62/1209408862.db2.gz MISKZJSWVKRSPA-HMDCTGQHSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+](Cc2ccccc2)C1 ZINC000851685983 1209512196 /nfs/dbraw/zinc/51/21/96/1209512196.db2.gz IOPUXESOGVBYBE-TWMPVWRBSA-N 2 1 370.497 0.965 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+](Cc2ccccc2)C1 ZINC000851685980 1209512269 /nfs/dbraw/zinc/51/22/69/1209512269.db2.gz IOPUXESOGVBYBE-SGDIKTSBSA-N 2 1 370.497 0.965 10 0 FCAEMP [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000851689331 1209514526 /nfs/dbraw/zinc/51/45/26/1209514526.db2.gz NDNZWGOEAHJFAJ-HZPDHXFCSA-N 2 1 366.506 0.381 10 0 FCAEMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852873301 1209571310 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/nfs/dbraw/zinc/72/26/42/1211722642.db2.gz CTHSVFWPOYQSFJ-SJORKVTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1CC1 ZINC000930805150 1211722644 /nfs/dbraw/zinc/72/26/44/1211722644.db2.gz CTHSVFWPOYQSFJ-SJORKVTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000930804928 1211722948 /nfs/dbraw/zinc/72/29/48/1211722948.db2.gz CTHSVFWPOYQSFJ-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000930804928 1211722950 /nfs/dbraw/zinc/72/29/50/1211722950.db2.gz CTHSVFWPOYQSFJ-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000930804928 1211722951 /nfs/dbraw/zinc/72/29/51/1211722951.db2.gz CTHSVFWPOYQSFJ-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930818652 1211723406 /nfs/dbraw/zinc/72/34/06/1211723406.db2.gz KOPMLUCHYSMXLB-HOTGVXAUSA-N 2 1 373.482 0.647 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000931009075 1211734800 /nfs/dbraw/zinc/73/48/00/1211734800.db2.gz CZIQOBQGHUPHBI-AWEZNQCLSA-N 2 1 363.462 0.540 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000931009075 1211734802 /nfs/dbraw/zinc/73/48/02/1211734802.db2.gz CZIQOBQGHUPHBI-AWEZNQCLSA-N 2 1 363.462 0.540 10 0 FCAEMP CN1CC[N@@H+](CC(CN2CC[NH+](C)[C@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398723 1211753125 /nfs/dbraw/zinc/75/31/25/1211753125.db2.gz SVAXKISFVFJNPJ-PMACEKPBSA-N 2 1 368.566 0.009 10 0 FCAEMP CN1CC[NH+](CC(CN2CC[N@H+](C)[C@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398723 1211753126 /nfs/dbraw/zinc/75/31/26/1211753126.db2.gz SVAXKISFVFJNPJ-PMACEKPBSA-N 2 1 368.566 0.009 10 0 FCAEMP CN1CC[NH+](CC(CN2CC[N@@H+](C)[C@H](CO)C2)C2CCCC2)C[C@H]1CO ZINC000931398723 1211753128 /nfs/dbraw/zinc/75/31/28/1211753128.db2.gz SVAXKISFVFJNPJ-PMACEKPBSA-N 2 1 368.566 0.009 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CCCO1 ZINC000935654747 1211882074 /nfs/dbraw/zinc/88/20/74/1211882074.db2.gz HRKGVWVSSKNRIJ-KSZLIROESA-N 2 1 369.506 0.483 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](C[C@H](O)COC)C[C@]3(C)C2)CC[N@H+]1C ZINC001276901417 1225717298 /nfs/dbraw/zinc/71/72/98/1225717298.db2.gz NDPKGQRTSNZYMY-VBYALHQYSA-N 2 1 367.534 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@H+](C[C@H](O)COC)C[C@]3(C)C2)CC[NH+]1C ZINC001276901417 1225717301 /nfs/dbraw/zinc/71/73/01/1225717301.db2.gz NDPKGQRTSNZYMY-VBYALHQYSA-N 2 1 367.534 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](C[C@H](O)COC)C[C@]3(C)C2)CC[NH+]1C ZINC001276901417 1225717306 /nfs/dbraw/zinc/71/73/06/1225717306.db2.gz NDPKGQRTSNZYMY-VBYALHQYSA-N 2 1 367.534 0.894 10 0 FCAEMP C[NH+](CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1)Cc1ccccc1 ZINC000900575677 1218007610 /nfs/dbraw/zinc/00/76/10/1218007610.db2.gz FASLNGWVPZROKX-CTNGQTDRSA-N 2 1 374.529 0.718 10 0 FCAEMP C[NH+](CCN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1)Cc1ccccc1 ZINC000900575677 1218007616 /nfs/dbraw/zinc/00/76/16/1218007616.db2.gz FASLNGWVPZROKX-CTNGQTDRSA-N 2 1 374.529 0.718 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903493149 1218427038 /nfs/dbraw/zinc/42/70/38/1218427038.db2.gz VONCPHDFYDVAEK-MNVSYLFESA-N 2 1 371.437 0.885 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(=O)n3cccc(C)c3n1)C2 ZINC000903493139 1218427053 /nfs/dbraw/zinc/42/70/53/1218427053.db2.gz VEYPXMXTEXSOIM-KSMMKXTCSA-N 2 1 356.426 0.715 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000903724237 1218507802 /nfs/dbraw/zinc/50/78/02/1218507802.db2.gz NFSVTEFSSDDDCB-NXNVCVFFSA-N 2 1 364.490 0.049 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000903724237 1218507811 /nfs/dbraw/zinc/50/78/11/1218507811.db2.gz NFSVTEFSSDDDCB-NXNVCVFFSA-N 2 1 364.490 0.049 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)O1 ZINC000903730004 1218509192 /nfs/dbraw/zinc/50/91/92/1218509192.db2.gz FMRIQKGJIAUELU-FZKCQIBNSA-N 2 1 366.506 0.282 10 0 FCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)O1 ZINC000903730004 1218509194 /nfs/dbraw/zinc/50/91/94/1218509194.db2.gz FMRIQKGJIAUELU-FZKCQIBNSA-N 2 1 366.506 0.282 10 0 FCAEMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903886820 1218560572 /nfs/dbraw/zinc/56/05/72/1218560572.db2.gz TWAXTYUUOJQPMW-BHYGNILZSA-N 2 1 365.522 0.709 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1C ZINC001491337135 1220118362 /nfs/dbraw/zinc/11/83/62/1220118362.db2.gz QSWFMQYMGUTAGG-SJLPKXTDSA-N 2 1 360.502 0.734 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)C[N@H+](C)CCc2ccccc2)CC[NH+]1C ZINC001491337135 1220118370 /nfs/dbraw/zinc/11/83/70/1220118370.db2.gz QSWFMQYMGUTAGG-SJLPKXTDSA-N 2 1 360.502 0.734 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1C ZINC001491337135 1220118378 /nfs/dbraw/zinc/11/83/78/1220118378.db2.gz QSWFMQYMGUTAGG-SJLPKXTDSA-N 2 1 360.502 0.734 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCC[NH+](C)CCO)CC2)CC[N@H+]1C ZINC001277412597 1226029670 /nfs/dbraw/zinc/02/96/70/1226029670.db2.gz ATSBJADBICMYLD-NVXWUHKLSA-N 2 1 368.522 0.138 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCC[N@H+](C)CCO)CC2)CC[NH+]1C ZINC001277412597 1226029676 /nfs/dbraw/zinc/02/96/76/1226029676.db2.gz ATSBJADBICMYLD-NVXWUHKLSA-N 2 1 368.522 0.138 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCC[N@@H+](C)CCO)CC2)CC[NH+]1C ZINC001277412597 1226029684 /nfs/dbraw/zinc/02/96/84/1226029684.db2.gz ATSBJADBICMYLD-NVXWUHKLSA-N 2 1 368.522 0.138 10 0 FCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC001118381244 1221770951 /nfs/dbraw/zinc/77/09/51/1221770951.db2.gz GSZKVWRBZHYKLX-ZWKOTPCHSA-N 2 1 363.506 0.636 10 0 FCAEMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC001118381244 1221770956 /nfs/dbraw/zinc/77/09/56/1221770956.db2.gz GSZKVWRBZHYKLX-ZWKOTPCHSA-N 2 1 363.506 0.636 10 0 FCAEMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC001118381244 1221770959 /nfs/dbraw/zinc/77/09/59/1221770959.db2.gz GSZKVWRBZHYKLX-ZWKOTPCHSA-N 2 1 363.506 0.636 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC001118510527 1221791725 /nfs/dbraw/zinc/79/17/25/1221791725.db2.gz IFCCNUHQOSZLOB-LJQANCHMSA-N 2 1 372.513 0.972 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001118548475 1221799223 /nfs/dbraw/zinc/79/92/23/1221799223.db2.gz MQAAORIDHWLWDF-DOTOQJQBSA-N 2 1 367.538 0.959 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001118865790 1221837508 /nfs/dbraw/zinc/83/75/08/1221837508.db2.gz SBKZUBNTTWZNFC-HZMVEIRTSA-N 2 1 362.449 0.944 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001118865790 1221837510 /nfs/dbraw/zinc/83/75/10/1221837510.db2.gz SBKZUBNTTWZNFC-HZMVEIRTSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1C[NH+](C)CCN1C ZINC001119454754 1221919400 /nfs/dbraw/zinc/91/94/00/1221919400.db2.gz MQXZQHIRRUIPQY-XOYOTBSWSA-N 2 1 362.522 0.206 10 0 FCAEMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001119454754 1221919405 /nfs/dbraw/zinc/91/94/05/1221919405.db2.gz MQXZQHIRRUIPQY-XOYOTBSWSA-N 2 1 362.522 0.206 10 0 FCAEMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001119454754 1221919408 /nfs/dbraw/zinc/91/94/08/1221919408.db2.gz MQXZQHIRRUIPQY-XOYOTBSWSA-N 2 1 362.522 0.206 10 0 FCAEMP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)CC1 ZINC001123705119 1222352733 /nfs/dbraw/zinc/35/27/33/1222352733.db2.gz JFFSRIIAALGVNO-IPMKNSEASA-N 2 1 363.550 0.996 10 0 FCAEMP O=C(NCC[NH+]1CCCOCC1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001138405368 1222505627 /nfs/dbraw/zinc/50/56/27/1222505627.db2.gz MZILBGHVWPCNKZ-HXUWFJFHSA-N 2 1 361.486 0.852 10 0 FCAEMP O=C(NCC[NH+]1CCCOCC1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001138405368 1222505630 /nfs/dbraw/zinc/50/56/30/1222505630.db2.gz MZILBGHVWPCNKZ-HXUWFJFHSA-N 2 1 361.486 0.852 10 0 FCAEMP O=C(NCC[N@@H+]1CCCOCC1)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001138405368 1222505634 /nfs/dbraw/zinc/50/56/34/1222505634.db2.gz MZILBGHVWPCNKZ-HXUWFJFHSA-N 2 1 361.486 0.852 10 0 FCAEMP O=C(NCC[N@H+]1CCCOCC1)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001138405368 1222505638 /nfs/dbraw/zinc/50/56/38/1222505638.db2.gz MZILBGHVWPCNKZ-HXUWFJFHSA-N 2 1 361.486 0.852 10 0 FCAEMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000843258488 1222867403 /nfs/dbraw/zinc/86/74/03/1222867403.db2.gz GHCWFURWCXDVDZ-LZLYRXPVSA-N 2 1 372.469 0.051 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cn1 ZINC000849512289 1245398322 /nfs/dbraw/zinc/39/83/22/1245398322.db2.gz BTYHYEBILPSAOF-BDXSIMOUSA-N 2 1 361.490 0.435 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000849512289 1245398328 /nfs/dbraw/zinc/39/83/28/1245398328.db2.gz BTYHYEBILPSAOF-BDXSIMOUSA-N 2 1 361.490 0.435 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000849512289 1245398336 /nfs/dbraw/zinc/39/83/36/1245398336.db2.gz BTYHYEBILPSAOF-BDXSIMOUSA-N 2 1 361.490 0.435 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NCCOCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849578848 1245403220 /nfs/dbraw/zinc/40/32/20/1245403220.db2.gz XZGZYRCLFKVKCP-ZWKOTPCHSA-N 2 1 365.522 0.928 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NCCOCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849578846 1245404075 /nfs/dbraw/zinc/40/40/75/1245404075.db2.gz XZGZYRCLFKVKCP-ROUUACIJSA-N 2 1 365.522 0.928 10 0 FCAEMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871001219 1245433370 /nfs/dbraw/zinc/43/33/70/1245433370.db2.gz VTMUYICJFCNVIZ-VVLHAWIVSA-N 2 1 358.442 0.683 10 0 FCAEMP C[C@@]12CN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000872193849 1245434700 /nfs/dbraw/zinc/43/47/00/1245434700.db2.gz CIHLSHZSCYSLIQ-WAOWUJCRSA-N 2 1 370.497 0.917 10 0 FCAEMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000917951606 1245561958 /nfs/dbraw/zinc/56/19/58/1245561958.db2.gz BNMMBQDMKMRUTK-IRXDYDNUSA-N 2 1 367.538 0.517 10 0 FCAEMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000917951605 1245562427 /nfs/dbraw/zinc/56/24/27/1245562427.db2.gz BNMMBQDMKMRUTK-IAGOWNOFSA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000921550960 1245646653 /nfs/dbraw/zinc/64/66/53/1245646653.db2.gz NXSQEBQTIXANIO-GVDBMIGSSA-N 2 1 368.522 0.990 10 0 FCAEMP C[C@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000921550960 1245646657 /nfs/dbraw/zinc/64/66/57/1245646657.db2.gz NXSQEBQTIXANIO-GVDBMIGSSA-N 2 1 368.522 0.990 10 0 FCAEMP O=C(CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCc2ccccc21 ZINC000923321382 1245707455 /nfs/dbraw/zinc/70/74/55/1245707455.db2.gz DJTCHIGROPRLSJ-GOSISDBHSA-N 2 1 370.497 0.572 10 0 FCAEMP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923327833 1245709076 /nfs/dbraw/zinc/70/90/76/1245709076.db2.gz WDAWHJMVNDOXCO-HUUCEWRRSA-N 2 1 365.478 0.663 10 0 FCAEMP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504699 1245724193 /nfs/dbraw/zinc/72/41/93/1245724193.db2.gz SZTWLEDYIKBMLO-HUUCEWRRSA-N 2 1 362.474 0.975 10 0 FCAEMP COCCOC[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001327982985 1265467056 /nfs/dbraw/zinc/46/70/56/1265467056.db2.gz ZYNQJEQKEXYAKZ-BRWVUGGUSA-N 2 1 371.522 0.321 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccc(F)cc1 ZINC001328733508 1265605794 /nfs/dbraw/zinc/60/57/94/1265605794.db2.gz RKLQQFOVDKIVCO-QKLQHJQFSA-N 2 1 374.460 0.899 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccc(F)cc1 ZINC001328733508 1265605803 /nfs/dbraw/zinc/60/58/03/1265605803.db2.gz RKLQQFOVDKIVCO-QKLQHJQFSA-N 2 1 374.460 0.899 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001329041433 1265680078 /nfs/dbraw/zinc/68/00/78/1265680078.db2.gz MCJFHODXEDLTPT-MRXNPFEDSA-N 2 1 358.442 0.804 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059585 1265684448 /nfs/dbraw/zinc/68/44/48/1265684448.db2.gz GTSDCLRQUXGMCZ-ZFVVBOAOSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059585 1265684466 /nfs/dbraw/zinc/68/44/66/1265684466.db2.gz GTSDCLRQUXGMCZ-ZFVVBOAOSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059584 1265684078 /nfs/dbraw/zinc/68/40/78/1265684078.db2.gz GTSDCLRQUXGMCZ-ZCPGHIKRSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059584 1265684083 /nfs/dbraw/zinc/68/40/83/1265684083.db2.gz GTSDCLRQUXGMCZ-ZCPGHIKRSA-N 2 1 362.449 0.944 10 0 FCAEMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001519361153 1265716201 /nfs/dbraw/zinc/71/62/01/1265716201.db2.gz DIHUYXQQHATSNW-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001519361153 1265716204 /nfs/dbraw/zinc/71/62/04/1265716204.db2.gz DIHUYXQQHATSNW-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001519361153 1265716212 /nfs/dbraw/zinc/71/62/12/1265716212.db2.gz DIHUYXQQHATSNW-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2CC([NH+]3CCOCC3)C2)cn1 ZINC001329507993 1265771630 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CPKNQLLBJIJIIM-RYQLBKOJSA-N 2 1 364.490 0.732 10 0 FCAEMP COCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001264716660 1260400293 /nfs/dbraw/zinc/40/02/93/1260400293.db2.gz RWDWLHKPMYVKRZ-HFTRVMKXSA-N 2 1 364.490 0.996 10 0 FCAEMP COCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001264716660 1260400298 /nfs/dbraw/zinc/40/02/98/1260400298.db2.gz RWDWLHKPMYVKRZ-HFTRVMKXSA-N 2 1 364.490 0.996 10 0 FCAEMP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264987940 1260408589 /nfs/dbraw/zinc/40/85/89/1260408589.db2.gz RJZJOVDUJHHXLL-QLFBSQMISA-N 2 1 362.478 0.582 10 0 FCAEMP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264987940 1260408595 /nfs/dbraw/zinc/40/85/95/1260408595.db2.gz RJZJOVDUJHHXLL-QLFBSQMISA-N 2 1 362.478 0.582 10 0 FCAEMP C[C@@H](C(=O)Nc1ncccn1)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264987940 1260408600 /nfs/dbraw/zinc/40/86/00/1260408600.db2.gz RJZJOVDUJHHXLL-QLFBSQMISA-N 2 1 362.478 0.582 10 0 FCAEMP C[C@@H](C(=O)Nc1ncccn1)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264987940 1260408604 /nfs/dbraw/zinc/40/86/04/1260408604.db2.gz RJZJOVDUJHHXLL-QLFBSQMISA-N 2 1 362.478 0.582 10 0 FCAEMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001522073879 1266332044 /nfs/dbraw/zinc/33/20/44/1266332044.db2.gz NHRSRGAQUKNQSC-VSZNYVQBSA-N 2 1 350.507 0.382 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001278497859 1260702200 /nfs/dbraw/zinc/70/22/00/1260702200.db2.gz GWDGMORRJXXELK-IIDMSEBBSA-N 2 1 366.485 0.916 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCn2nc(C)nc2C)CC[N@H+]1C ZINC001278762103 1260727460 /nfs/dbraw/zinc/72/74/60/1260727460.db2.gz MNXCFQMXXURDKP-IXDOHACOSA-N 2 1 366.510 0.034 10 0 FCAEMP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001280529462 1261066044 /nfs/dbraw/zinc/06/60/44/1261066044.db2.gz IAEJCMVHDMWQIR-BFYDXBDKSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1O ZINC001281668381 1261141186 /nfs/dbraw/zinc/14/11/86/1261141186.db2.gz JHUZQUVJWAGDPS-HZPDHXFCSA-N 2 1 365.478 0.001 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001282300669 1261408271 /nfs/dbraw/zinc/40/82/71/1261408271.db2.gz ZMDORGVJYFISRE-KURKYZTESA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001282300669 1261408275 /nfs/dbraw/zinc/40/82/75/1261408275.db2.gz ZMDORGVJYFISRE-KURKYZTESA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001282300669 1261408277 /nfs/dbraw/zinc/40/82/77/1261408277.db2.gz ZMDORGVJYFISRE-KURKYZTESA-N 2 1 364.534 0.975 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001282481675 1261476390 /nfs/dbraw/zinc/47/63/90/1261476390.db2.gz JTZHEEPCXDKQIR-BFYDXBDKSA-N 2 1 361.490 0.887 10 0 FCAEMP 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/nfs/dbraw/zinc/79/89/18/1270798918.db2.gz ZNLBHZSCLCOMHB-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001573874550 1270915245 /nfs/dbraw/zinc/91/52/45/1270915245.db2.gz QPORBPDRNBASJF-RHSMWYFYSA-N 2 1 361.490 0.744 10 0 FCAEMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1[C@@H]3CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C3)CC2 ZINC001574359025 1271231131 /nfs/dbraw/zinc/23/11/31/1271231131.db2.gz SXXMCYYMQRCZGP-MVJTYMMSSA-N 2 1 373.501 0.954 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCN2C(=O)CCC2=O)C2CC2)CC[N@H+]1C ZINC001713037595 1287260747 /nfs/dbraw/zinc/26/07/47/1287260747.db2.gz HLGAVSRNPDSODS-GDBMZVCRSA-N 2 1 364.490 0.446 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](CCN2C(=O)CCC2=O)C2CC2)CC[NH+]1C ZINC001713037595 1287260750 /nfs/dbraw/zinc/26/07/50/1287260750.db2.gz HLGAVSRNPDSODS-GDBMZVCRSA-N 2 1 364.490 0.446 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](CCN2C(=O)CCC2=O)C2CC2)CC[NH+]1C ZINC001713037595 1287260751 /nfs/dbraw/zinc/26/07/51/1287260751.db2.gz HLGAVSRNPDSODS-GDBMZVCRSA-N 2 1 364.490 0.446 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C2CC2)CC[N@H+]1C ZINC001713110823 1287266423 /nfs/dbraw/zinc/26/64/23/1287266423.db2.gz JEBSJTUKHVVNGG-BPLDGKMQSA-N 2 1 360.462 0.240 10 0 FCAEMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713281935 1287272157 /nfs/dbraw/zinc/27/21/57/1287272157.db2.gz TWAIQEHZYSFCRJ-NEMWNAMBSA-N 2 1 350.507 0.678 10 0 FCAEMP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713281935 1287272161 /nfs/dbraw/zinc/27/21/61/1287272161.db2.gz TWAIQEHZYSFCRJ-NEMWNAMBSA-N 2 1 350.507 0.678 10 0 FCAEMP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713281935 1287272168 /nfs/dbraw/zinc/27/21/68/1287272168.db2.gz TWAIQEHZYSFCRJ-NEMWNAMBSA-N 2 1 350.507 0.678 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001713593487 1287287162 /nfs/dbraw/zinc/28/71/62/1287287162.db2.gz MWTFWWKNJXNOOC-YESZJQIVSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001713901572 1287306519 /nfs/dbraw/zinc/30/65/19/1287306519.db2.gz RWBPGFIJQOEEEV-JKSUJKDBSA-N 2 1 353.511 0.472 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001713901572 1287306524 /nfs/dbraw/zinc/30/65/24/1287306524.db2.gz RWBPGFIJQOEEEV-JKSUJKDBSA-N 2 1 353.511 0.472 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001713949181 1287307389 /nfs/dbraw/zinc/30/73/89/1287307389.db2.gz HNNXHNWXWBNMCN-YHUYYLMFSA-N 2 1 359.536 0.778 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001713949362 1287307696 /nfs/dbraw/zinc/30/76/96/1287307696.db2.gz NYZZHXASFRFLQN-KBUPBQIOSA-N 2 1 353.511 0.661 10 0 FCAEMP COCc1noc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n1 ZINC001714162832 1287314664 /nfs/dbraw/zinc/31/46/64/1287314664.db2.gz MUTGPESIAWPCCT-DFHBCGBQSA-N 2 1 365.478 0.931 10 0 FCAEMP COCc1noc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)n1 ZINC001714162832 1287314667 /nfs/dbraw/zinc/31/46/67/1287314667.db2.gz MUTGPESIAWPCCT-DFHBCGBQSA-N 2 1 365.478 0.931 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)Nc2nnc(C)s2)CC[N@H+]1C ZINC001714236030 1287316341 /nfs/dbraw/zinc/31/63/41/1287316341.db2.gz VOTILKAXMMGKBZ-WCFLWFBJSA-N 2 1 368.507 0.610 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001714302927 1287319143 /nfs/dbraw/zinc/31/91/43/1287319143.db2.gz QAMLIXDKXDEHRP-ARILJUKYSA-N 2 1 367.494 0.317 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001715519496 1287353806 /nfs/dbraw/zinc/35/38/06/1287353806.db2.gz DYSHOFWOMVSEKB-HRCADAONSA-N 2 1 359.536 0.542 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001715519496 1287353807 /nfs/dbraw/zinc/35/38/07/1287353807.db2.gz DYSHOFWOMVSEKB-HRCADAONSA-N 2 1 359.536 0.542 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001715519496 1287353810 /nfs/dbraw/zinc/35/38/10/1287353810.db2.gz DYSHOFWOMVSEKB-HRCADAONSA-N 2 1 359.536 0.542 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001715519496 1287353811 /nfs/dbraw/zinc/35/38/11/1287353811.db2.gz DYSHOFWOMVSEKB-HRCADAONSA-N 2 1 359.536 0.542 10 0 FCAEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1nncs1 ZINC001715560841 1287355037 /nfs/dbraw/zinc/35/50/37/1287355037.db2.gz NNYUDDPBSXFEEG-UPJWGTAASA-N 2 1 368.507 0.547 10 0 FCAEMP C[C@H](CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715649405 1287359064 /nfs/dbraw/zinc/35/90/64/1287359064.db2.gz UHMWTNAJKHGCTE-MGPQQGTHSA-N 2 1 369.510 0.435 10 0 FCAEMP C[C@@H](C[NH2+]CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715977942 1287366516 /nfs/dbraw/zinc/36/65/16/1287366516.db2.gz SKZJHLFRPWFNBL-ZMSDIMECSA-N 2 1 367.515 0.895 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001716033147 1287368741 /nfs/dbraw/zinc/36/87/41/1287368741.db2.gz ZMTULIIHEDPCNX-RWMBFGLXSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001716033147 1287368742 /nfs/dbraw/zinc/36/87/42/1287368742.db2.gz ZMTULIIHEDPCNX-RWMBFGLXSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001716033147 1287368744 /nfs/dbraw/zinc/36/87/44/1287368744.db2.gz ZMTULIIHEDPCNX-RWMBFGLXSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001716033147 1287368745 /nfs/dbraw/zinc/36/87/45/1287368745.db2.gz ZMTULIIHEDPCNX-RWMBFGLXSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@H](C[N@H+](C)CC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716028134 1287368852 /nfs/dbraw/zinc/36/88/52/1287368852.db2.gz JKYDTIOWGAHWTL-IIAWOOMASA-N 2 1 350.463 0.673 10 0 FCAEMP C[C@H](C[N@@H+](C)CC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716028134 1287368856 /nfs/dbraw/zinc/36/88/56/1287368856.db2.gz JKYDTIOWGAHWTL-IIAWOOMASA-N 2 1 350.463 0.673 10 0 FCAEMP C[C@H](C[NH+](C)CC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716028134 1287368857 /nfs/dbraw/zinc/36/88/57/1287368857.db2.gz JKYDTIOWGAHWTL-IIAWOOMASA-N 2 1 350.463 0.673 10 0 FCAEMP C[C@H](C[NH+](C)CC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716028134 1287368858 /nfs/dbraw/zinc/36/88/58/1287368858.db2.gz JKYDTIOWGAHWTL-IIAWOOMASA-N 2 1 350.463 0.673 10 0 FCAEMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716087472 1287369946 /nfs/dbraw/zinc/36/99/46/1287369946.db2.gz HGIGJSQPHMGOIA-DJIMGWMZSA-N 2 1 351.495 0.679 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001716541859 1287382946 /nfs/dbraw/zinc/38/29/46/1287382946.db2.gz LRTXQPVIOJAZCI-CHWSQXEVSA-N 2 1 353.492 0.860 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001717171431 1287409679 /nfs/dbraw/zinc/40/96/79/1287409679.db2.gz UCLPPCFOPFWVSO-FGTMMUONSA-N 2 1 363.506 0.510 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001717252728 1287414753 /nfs/dbraw/zinc/41/47/53/1287414753.db2.gz KQXKTQYKTFQKMD-FCEWJHQRSA-N 2 1 368.522 0.184 10 0 FCAEMP CCc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)o1 ZINC001717263127 1287417138 /nfs/dbraw/zinc/41/71/38/1287417138.db2.gz VASDJCNYEGVIOG-ZIAGYGMSSA-N 2 1 365.478 0.727 10 0 FCAEMP CCc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)o1 ZINC001717263127 1287417140 /nfs/dbraw/zinc/41/71/40/1287417140.db2.gz VASDJCNYEGVIOG-ZIAGYGMSSA-N 2 1 365.478 0.727 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001717384682 1287422504 /nfs/dbraw/zinc/42/25/04/1287422504.db2.gz SLJWLLBDDPPDJI-SJJHQCBESA-N 2 1 352.523 0.973 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCN3CCNC3=O)CCCCC2)CC[N@H+]1C ZINC001717523285 1287429006 /nfs/dbraw/zinc/42/90/06/1287429006.db2.gz LKKRRAQJTXVFFF-HZPDHXFCSA-N 2 1 365.522 0.761 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1C ZINC001717917082 1287443153 /nfs/dbraw/zinc/44/31/53/1287443153.db2.gz IZYJQVQKKDBSMZ-FVQBIDKESA-N 2 1 366.510 0.282 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1C ZINC001717917082 1287443159 /nfs/dbraw/zinc/44/31/59/1287443159.db2.gz IZYJQVQKKDBSMZ-FVQBIDKESA-N 2 1 366.510 0.282 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1C ZINC001582949968 1282056278 /nfs/dbraw/zinc/05/62/78/1282056278.db2.gz JREMBRUBTCCACL-GVDBMIGSSA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1C ZINC001582949968 1282056287 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C[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666902510 1291924665 /nfs/dbraw/zinc/92/46/65/1291924665.db2.gz IYDUJHWYFWNLIT-SQWLQELKSA-N 2 1 359.536 0.588 10 0 FCAEMP C[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666902508 1291924769 /nfs/dbraw/zinc/92/47/69/1291924769.db2.gz IYDUJHWYFWNLIT-IIAWOOMASA-N 2 1 359.536 0.588 10 0 FCAEMP CC(C)C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001667085589 1291927229 /nfs/dbraw/zinc/92/72/29/1291927229.db2.gz BXMZJNRIPRAMIB-BRWVUGGUSA-N 2 1 368.522 0.306 10 0 FCAEMP CCNC(=O)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001670994374 1292029900 /nfs/dbraw/zinc/02/99/00/1292029900.db2.gz YNONYYAXPZQVBT-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP CCNC(=O)C[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001670994374 1292029908 /nfs/dbraw/zinc/02/99/08/1292029908.db2.gz YNONYYAXPZQVBT-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP CCNC(=O)C[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001670994374 1292029918 /nfs/dbraw/zinc/02/99/18/1292029918.db2.gz YNONYYAXPZQVBT-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP COC[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674419998 1292140743 /nfs/dbraw/zinc/14/07/43/1292140743.db2.gz NSVXBBNJZNJQLN-IGIMTQTPSA-N 2 1 361.486 0.706 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCNC(=O)NC(C)C)CC[N@H+]1C ZINC001674930707 1292159549 /nfs/dbraw/zinc/15/95/49/1292159549.db2.gz CCXZFNZLUFEZQZ-OWCLPIDISA-N 2 1 355.527 0.861 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001674933499 1292159623 /nfs/dbraw/zinc/15/96/23/1292159623.db2.gz XPWSOMKMWKDCEC-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001674933499 1292159627 /nfs/dbraw/zinc/15/96/27/1292159627.db2.gz XPWSOMKMWKDCEC-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001674933499 1292159632 /nfs/dbraw/zinc/15/96/32/1292159632.db2.gz XPWSOMKMWKDCEC-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC001676535182 1292206315 /nfs/dbraw/zinc/20/63/15/1292206315.db2.gz HYWRZXDIMFXCGU-BFYDXBDKSA-N 2 1 362.474 0.056 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)c2ccccc2)CC[N@H+]1C ZINC001676535182 1292206326 /nfs/dbraw/zinc/20/63/26/1292206326.db2.gz HYWRZXDIMFXCGU-BFYDXBDKSA-N 2 1 362.474 0.056 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001678879034 1292284696 /nfs/dbraw/zinc/28/46/96/1292284696.db2.gz KEIZEMDTZRGNSL-SMLCLMEVSA-N 2 1 350.507 0.489 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)[C@@H]1C ZINC001685342418 1292505932 /nfs/dbraw/zinc/50/59/32/1292505932.db2.gz CRKGIXHPMPXBSU-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)[C@@H]1C ZINC001685342418 1292505937 /nfs/dbraw/zinc/50/59/37/1292505937.db2.gz CRKGIXHPMPXBSU-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H]1C ZINC001685342418 1292505943 /nfs/dbraw/zinc/50/59/43/1292505943.db2.gz CRKGIXHPMPXBSU-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H]1C ZINC001685342418 1292505946 /nfs/dbraw/zinc/50/59/46/1292505946.db2.gz CRKGIXHPMPXBSU-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC001119759278 847966549 /nfs/dbraw/zinc/96/65/49/847966549.db2.gz MAJAAOXNYSQOFM-HOTGVXAUSA-N 2 1 368.547 0.531 10 0 FCAEMP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC001119759278 847966557 /nfs/dbraw/zinc/96/65/57/847966557.db2.gz MAJAAOXNYSQOFM-HOTGVXAUSA-N 2 1 368.547 0.531 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCc2c(F)cccc2F)CC[N@H+]1C ZINC001278084551 862181481 /nfs/dbraw/zinc/18/14/81/862181481.db2.gz BWZVSFNKKURETF-HZSPNIEDSA-N 2 1 355.429 0.914 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCOCCO)CC3)CC[N@H+]1C ZINC001278453816 862333126 /nfs/dbraw/zinc/33/31/26/862333126.db2.gz YRYDLNBKHHDISX-ZMMAXQRCSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCOCCO)CC3)CC[NH+]1C ZINC001278453816 862333146 /nfs/dbraw/zinc/33/31/46/862333146.db2.gz YRYDLNBKHHDISX-ZMMAXQRCSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCOCCO)CC3)CC[NH+]1C ZINC001278453816 862333165 /nfs/dbraw/zinc/33/31/65/862333165.db2.gz YRYDLNBKHHDISX-ZMMAXQRCSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3conc3C)C2)CC[N@@H+]1C ZINC001278781072 862474256 /nfs/dbraw/zinc/47/42/56/862474256.db2.gz CGDLWSLYRFZESN-LZLYRXPVSA-N 2 1 350.463 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3conc3C)C2)CC[N@H+]1C ZINC001278781072 862474264 /nfs/dbraw/zinc/47/42/64/862474264.db2.gz CGDLWSLYRFZESN-LZLYRXPVSA-N 2 1 350.463 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3conc3C)C2)CC[NH+]1C ZINC001278781072 862474274 /nfs/dbraw/zinc/47/42/74/862474274.db2.gz CGDLWSLYRFZESN-LZLYRXPVSA-N 2 1 350.463 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3conc3C)C2)CC[NH+]1C ZINC001278781072 862474276 /nfs/dbraw/zinc/47/42/76/862474276.db2.gz CGDLWSLYRFZESN-LZLYRXPVSA-N 2 1 350.463 0.766 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC001261798950 858668164 /nfs/dbraw/zinc/66/81/64/858668164.db2.gz YSHAWBBENBWTEE-HZPDHXFCSA-N 2 1 368.598 0.831 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)no1 ZINC001263716360 859194184 /nfs/dbraw/zinc/19/41/84/859194184.db2.gz MHQJBUPQNISUNS-TZMCWYRMSA-N 2 1 351.451 0.698 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001264159042 859333239 /nfs/dbraw/zinc/33/32/39/859333239.db2.gz KUXLUNHLIMRQIN-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001264159042 859333251 /nfs/dbraw/zinc/33/32/51/859333251.db2.gz KUXLUNHLIMRQIN-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C)[NH+](C)C ZINC001264169440 859339405 /nfs/dbraw/zinc/33/94/05/859339405.db2.gz IECWWTJMHSEVIA-VNQPRFMTSA-N 2 1 359.536 0.730 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C)[NH+](C)C ZINC001264169440 859339414 /nfs/dbraw/zinc/33/94/14/859339414.db2.gz IECWWTJMHSEVIA-VNQPRFMTSA-N 2 1 359.536 0.730 10 0 FCAEMP CCO[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001264530112 859374239 /nfs/dbraw/zinc/37/42/39/859374239.db2.gz XVQIJTYKSIGTEI-XJKCOSOUSA-N 2 1 354.451 0.184 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001264617161 859400686 /nfs/dbraw/zinc/40/06/86/859400686.db2.gz CKCULHUREJVLQL-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001264646292 859412736 /nfs/dbraw/zinc/41/27/36/859412736.db2.gz IVAKQFDEXWEGGD-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001264646292 859412744 /nfs/dbraw/zinc/41/27/44/859412744.db2.gz IVAKQFDEXWEGGD-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001264646292 859412748 /nfs/dbraw/zinc/41/27/48/859412748.db2.gz IVAKQFDEXWEGGD-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CCOCCO ZINC001264719417 859437697 /nfs/dbraw/zinc/43/76/97/859437697.db2.gz XPYDTYBWYDEWEI-VKJFTORMSA-N 2 1 359.486 0.787 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CCOCCO ZINC001264719417 859437700 /nfs/dbraw/zinc/43/77/00/859437700.db2.gz XPYDTYBWYDEWEI-VKJFTORMSA-N 2 1 359.486 0.787 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CCOCCO ZINC001264719417 859437704 /nfs/dbraw/zinc/43/77/04/859437704.db2.gz XPYDTYBWYDEWEI-VKJFTORMSA-N 2 1 359.486 0.787 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001265609746 859463394 /nfs/dbraw/zinc/46/33/94/859463394.db2.gz WQBAKLOLORKTQE-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001265905916 859468543 /nfs/dbraw/zinc/46/85/43/859468543.db2.gz ZXTJPIVPOMWEJX-HRCADAONSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+]([C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001267943326 859519901 /nfs/dbraw/zinc/51/99/01/859519901.db2.gz IZSHCHGDNUMHOP-BBWFWOEESA-N 2 1 350.507 0.824 10 0 FCAEMP CCN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001267937476 859519924 /nfs/dbraw/zinc/51/99/24/859519924.db2.gz NITYYKSZEKIYTR-BFYDXBDKSA-N 2 1 350.507 0.918 10 0 FCAEMP CCN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001267937476 859519930 /nfs/dbraw/zinc/51/99/30/859519930.db2.gz NITYYKSZEKIYTR-BFYDXBDKSA-N 2 1 350.507 0.918 10 0 FCAEMP CCN(C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001267937476 859519934 /nfs/dbraw/zinc/51/99/34/859519934.db2.gz NITYYKSZEKIYTR-BFYDXBDKSA-N 2 1 350.507 0.918 10 0 FCAEMP CCN(C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001267937476 859519939 /nfs/dbraw/zinc/51/99/39/859519939.db2.gz NITYYKSZEKIYTR-BFYDXBDKSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](C[C@@H](O)COC)C3)CC2)CC[N@H+]1C ZINC001268043839 859522314 /nfs/dbraw/zinc/52/23/14/859522314.db2.gz RFBGNISSBYQNEI-IXDOHACOSA-N 2 1 353.507 0.648 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001268644763 859535868 /nfs/dbraw/zinc/53/58/68/859535868.db2.gz APSPEMDAZOFVRO-HZSPNIEDSA-N 2 1 350.467 0.133 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001268644763 859535874 /nfs/dbraw/zinc/53/58/74/859535874.db2.gz APSPEMDAZOFVRO-HZSPNIEDSA-N 2 1 350.467 0.133 10 0 FCAEMP COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270051468 859636404 /nfs/dbraw/zinc/63/64/04/859636404.db2.gz WZCJNRZHUBELKI-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OC)[NH+](C)C ZINC001281864485 863842332 /nfs/dbraw/zinc/84/23/32/863842332.db2.gz WAVXPIPCQYSJIV-FXUDXRNXSA-N 2 1 354.495 0.153 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001281985520 864020883 /nfs/dbraw/zinc/02/08/83/864020883.db2.gz REMPHYCTBFBHNZ-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP 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DLNGZDDQJLNBLN-XMTFNYHQSA-N 2 1 362.518 0.777 10 0 FCAEMP C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000246705439 209399214 /nfs/dbraw/zinc/39/92/14/209399214.db2.gz KSGKXCQOXOOTIL-KURKYZTESA-N 2 1 352.523 0.772 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000245437611 209367996 /nfs/dbraw/zinc/36/79/96/209367996.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 2 1 354.539 0.733 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245437611 209367993 /nfs/dbraw/zinc/36/79/93/209367993.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 2 1 354.539 0.733 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000245437611 209367995 /nfs/dbraw/zinc/36/79/95/209367995.db2.gz DXSSPGUUOUNMJX-ROUUACIJSA-N 2 1 354.539 0.733 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000931397968 674111811 /nfs/dbraw/zinc/11/18/11/674111811.db2.gz XWLPXUMVRGDHIC-SJORKVTESA-N 2 1 354.495 0.108 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000414886082 245329764 /nfs/dbraw/zinc/32/97/64/245329764.db2.gz PVRUPOIAWAIEJF-OAHLLOKOSA-N 2 1 362.474 0.819 10 0 FCAEMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415073027 245346119 /nfs/dbraw/zinc/34/61/19/245346119.db2.gz YUTOMCSTHORYEK-CHWSQXEVSA-N 2 1 363.462 0.940 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000414913770 245332373 /nfs/dbraw/zinc/33/23/73/245332373.db2.gz NDCNFAZMPYBRFW-UHFFFAOYSA-N 2 1 362.474 0.650 10 0 FCAEMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000414926109 245334580 /nfs/dbraw/zinc/33/45/80/245334580.db2.gz JVSYPVPGQGFWKO-KRWDZBQOSA-N 2 1 362.474 0.650 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136102 246010956 /nfs/dbraw/zinc/01/09/56/246010956.db2.gz OINHVPGTXVIKIZ-NJAFHUGGSA-N 2 1 358.486 0.881 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CCC(F)(F)F ZINC000419212643 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ZINC000554633215 491214194 /nfs/dbraw/zinc/21/41/94/491214194.db2.gz TYUAYAOAYFZIMN-UHFFFAOYSA-N 2 1 357.462 0.844 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000151864391 488711145 /nfs/dbraw/zinc/71/11/45/488711145.db2.gz QKEINIVQWGQOPT-MRXNPFEDSA-N 2 1 353.511 0.616 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000151864391 488711147 /nfs/dbraw/zinc/71/11/47/488711147.db2.gz QKEINIVQWGQOPT-MRXNPFEDSA-N 2 1 353.511 0.616 10 0 FCAEMP Cc1nc(C)c(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=O)[nH]1 ZINC000154318826 488741426 /nfs/dbraw/zinc/74/14/26/488741426.db2.gz YCIHSZFWAFPJRU-SJPCQFCGSA-N 2 1 373.501 0.699 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC(CO)CC2)C1 ZINC000156275931 488763792 /nfs/dbraw/zinc/76/37/92/488763792.db2.gz MPWPUYDQEHSTKT-DAWZGUTISA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC(CO)CC2)C1 ZINC000156275931 488763793 /nfs/dbraw/zinc/76/37/93/488763793.db2.gz MPWPUYDQEHSTKT-DAWZGUTISA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC(CO)CC2)C1 ZINC000156275931 488763795 /nfs/dbraw/zinc/76/37/95/488763795.db2.gz MPWPUYDQEHSTKT-DAWZGUTISA-N 2 1 355.523 0.942 10 0 FCAEMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000170843607 488816760 /nfs/dbraw/zinc/81/67/60/488816760.db2.gz CQUNHDKOJVCISI-SFHVURJKSA-N 2 1 374.485 0.662 10 0 FCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900059 488828455 /nfs/dbraw/zinc/82/84/55/488828455.db2.gz WRWWIAJKWQYVLD-QGZVFWFLSA-N 2 1 373.505 0.478 10 0 FCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900059 488828456 /nfs/dbraw/zinc/82/84/56/488828456.db2.gz WRWWIAJKWQYVLD-QGZVFWFLSA-N 2 1 373.505 0.478 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000172306239 488832490 /nfs/dbraw/zinc/83/24/90/488832490.db2.gz KSELXZGSAAGXDB-SFHVURJKSA-N 2 1 373.501 0.977 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000172306239 488832491 /nfs/dbraw/zinc/83/24/91/488832491.db2.gz KSELXZGSAAGXDB-SFHVURJKSA-N 2 1 373.501 0.977 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000172306239 488832493 /nfs/dbraw/zinc/83/24/93/488832493.db2.gz KSELXZGSAAGXDB-SFHVURJKSA-N 2 1 373.501 0.977 10 0 FCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000174729672 488850816 /nfs/dbraw/zinc/85/08/16/488850816.db2.gz NLFLUBRFNBDDFI-ZWKOTPCHSA-N 2 1 352.523 0.726 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176184077 488857638 /nfs/dbraw/zinc/85/76/38/488857638.db2.gz PQKOXTBJPRHYON-IRXDYDNUSA-N 2 1 354.495 0.461 10 0 FCAEMP CC[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000179316006 488861020 /nfs/dbraw/zinc/86/10/20/488861020.db2.gz GVZGIBRXEWLCCE-KRWDZBQOSA-N 2 1 369.554 0.765 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000181809540 488863704 /nfs/dbraw/zinc/86/37/04/488863704.db2.gz CSDWMCXSFLNDPQ-DLBZAZTESA-N 2 1 370.538 0.689 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000365405175 489072481 /nfs/dbraw/zinc/07/24/81/489072481.db2.gz RUHMNPFRBUBRNL-ZWKOTPCHSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H](C)C1 ZINC000570377711 491237254 /nfs/dbraw/zinc/23/72/54/491237254.db2.gz UIWHJZBMOPMMMT-ZACQAIPSSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000332825800 489236115 /nfs/dbraw/zinc/23/61/15/489236115.db2.gz VDVBYSWEEDEKDD-IAGOWNOFSA-N 2 1 366.506 0.300 10 0 FCAEMP CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000332825800 489236122 /nfs/dbraw/zinc/23/61/22/489236122.db2.gz VDVBYSWEEDEKDD-IAGOWNOFSA-N 2 1 366.506 0.300 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000285944675 489336704 /nfs/dbraw/zinc/33/67/04/489336704.db2.gz IDGYNYCSXVFMQQ-ZBFHGGJFSA-N 2 1 359.474 0.778 10 0 FCAEMP COC(=O)C1(N(C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000370758030 489397683 /nfs/dbraw/zinc/39/76/83/489397683.db2.gz QQTSXDFYVFEPRR-MRXNPFEDSA-N 2 1 369.506 0.877 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000563543004 491253967 /nfs/dbraw/zinc/25/39/67/491253967.db2.gz NEHYICSIHMFWMQ-QGZVFWFLSA-N 2 1 356.511 0.753 10 0 FCAEMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000563551248 491254377 /nfs/dbraw/zinc/25/43/77/491254377.db2.gz KXSGRSHYFKDCCM-UHFFFAOYSA-N 2 1 360.458 0.403 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000363599774 489482520 /nfs/dbraw/zinc/48/25/20/489482520.db2.gz GQKQUKQNVBDXOM-DLBZAZTESA-N 2 1 368.522 0.437 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000363599774 489482521 /nfs/dbraw/zinc/48/25/21/489482521.db2.gz GQKQUKQNVBDXOM-DLBZAZTESA-N 2 1 368.522 0.437 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000363599774 489482522 /nfs/dbraw/zinc/48/25/22/489482522.db2.gz GQKQUKQNVBDXOM-DLBZAZTESA-N 2 1 368.522 0.437 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000423116908 489494927 /nfs/dbraw/zinc/49/49/27/489494927.db2.gz SAIJBHWYAOSEMC-UHFFFAOYSA-N 2 1 364.515 0.645 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423266087 489508901 /nfs/dbraw/zinc/50/89/01/489508901.db2.gz CRSASBAXFLITGP-OKZBNKHCSA-N 2 1 374.460 0.774 10 0 FCAEMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451793721 489524350 /nfs/dbraw/zinc/52/43/50/489524350.db2.gz WHSDVJVGXSJTEV-BBWFWOEESA-N 2 1 369.506 0.781 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000425843347 489533268 /nfs/dbraw/zinc/53/32/68/489533268.db2.gz ODRLMUHQZYQZJP-IRXDYDNUSA-N 2 1 367.538 0.912 10 0 FCAEMP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC(F)(F)C[NH3+])cccc21 ZINC000415608514 489536430 /nfs/dbraw/zinc/53/64/30/489536430.db2.gz LSOIVOLLOSANLS-LBPRGKRZSA-N 2 1 356.373 0.721 10 0 FCAEMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000372399085 489580988 /nfs/dbraw/zinc/58/09/88/489580988.db2.gz BHMQKMLTSFOMOD-MHORFTMASA-N 2 1 350.507 0.430 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000457141965 489638507 /nfs/dbraw/zinc/63/85/07/489638507.db2.gz YRKOBDBRYMLXLM-QGZVFWFLSA-N 2 1 361.490 0.119 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000457141965 489638509 /nfs/dbraw/zinc/63/85/09/489638509.db2.gz YRKOBDBRYMLXLM-QGZVFWFLSA-N 2 1 361.490 0.119 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417384341 489651167 /nfs/dbraw/zinc/65/11/67/489651167.db2.gz KZBILTLWPHRNFH-WMZOPIPTSA-N 2 1 360.506 0.891 10 0 FCAEMP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000457752232 489655922 /nfs/dbraw/zinc/65/59/22/489655922.db2.gz WXKSWMOPKOXREF-SFHVURJKSA-N 2 1 369.554 0.550 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457752232 489655924 /nfs/dbraw/zinc/65/59/24/489655924.db2.gz WXKSWMOPKOXREF-SFHVURJKSA-N 2 1 369.554 0.550 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000457752232 489655926 /nfs/dbraw/zinc/65/59/26/489655926.db2.gz WXKSWMOPKOXREF-SFHVURJKSA-N 2 1 369.554 0.550 10 0 FCAEMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000458367631 489679370 /nfs/dbraw/zinc/67/93/70/489679370.db2.gz WMLKRETUWRLWLK-HNNXBMFYSA-N 2 1 356.511 0.584 10 0 FCAEMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000458367631 489679371 /nfs/dbraw/zinc/67/93/71/489679371.db2.gz WMLKRETUWRLWLK-HNNXBMFYSA-N 2 1 356.511 0.584 10 0 FCAEMP CC[N@@H+](CCNC(=O)N1CCN(CCO)C[C@H]1C)CCC(F)(F)F ZINC000458707498 489696719 /nfs/dbraw/zinc/69/67/19/489696719.db2.gz FZRDMSVHIWCXAK-CYBMUJFWSA-N 2 1 354.417 0.969 10 0 FCAEMP CCN(CCNC(=O)N1CCN(CCO)C[C@H]1C)CCC(F)(F)F ZINC000458707498 489696723 /nfs/dbraw/zinc/69/67/23/489696723.db2.gz FZRDMSVHIWCXAK-CYBMUJFWSA-N 2 1 354.417 0.969 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000418810996 489733424 /nfs/dbraw/zinc/73/34/24/489733424.db2.gz HRUOSUWIWRSUGW-YLJYHZDGSA-N 2 1 358.486 0.965 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000474298436 489751809 /nfs/dbraw/zinc/75/18/09/489751809.db2.gz JCTAISBSOJPWLB-UHFFFAOYSA-N 2 1 351.451 0.500 10 0 FCAEMP C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000570962427 491276817 /nfs/dbraw/zinc/27/68/17/491276817.db2.gz CKBHYRMVOFHMMD-BPQIPLTHSA-N 2 1 374.485 0.385 10 0 FCAEMP CN1CC[C@H](NC(=O)C(=O)N2CCNCC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899125 489781089 /nfs/dbraw/zinc/78/10/89/489781089.db2.gz BMAURERCPISJOI-LSDHHAIUSA-N 2 1 350.850 0.633 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419115082 489862025 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/nfs/dbraw/zinc/94/39/12/492943912.db2.gz FQAYVLPKWJYIAX-XJKSGUPXSA-N 2 1 373.457 0.288 10 0 FCAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000645621074 492943913 /nfs/dbraw/zinc/94/39/13/492943913.db2.gz FQAYVLPKWJYIAX-XJKSGUPXSA-N 2 1 373.457 0.288 10 0 FCAEMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000645623987 492946168 /nfs/dbraw/zinc/94/61/68/492946168.db2.gz SAKCVVABUGVNRS-GOEBONIOSA-N 2 1 360.458 0.858 10 0 FCAEMP CN1CCOC[C@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638610240 492966017 /nfs/dbraw/zinc/96/60/17/492966017.db2.gz JNZOQBPBWSUGAM-GOSISDBHSA-N 2 1 360.502 0.817 10 0 FCAEMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658598627 492973652 /nfs/dbraw/zinc/97/36/52/492973652.db2.gz AZHPZCINIAKQLO-DLBZAZTESA-N 2 1 368.522 0.354 10 0 FCAEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658598627 492973654 /nfs/dbraw/zinc/97/36/54/492973654.db2.gz AZHPZCINIAKQLO-DLBZAZTESA-N 2 1 368.522 0.354 10 0 FCAEMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000652705924 492996488 /nfs/dbraw/zinc/99/64/88/492996488.db2.gz RHCDTOWNSDGDSM-QGZVFWFLSA-N 2 1 361.490 0.649 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000652705924 492996490 /nfs/dbraw/zinc/99/64/90/492996490.db2.gz RHCDTOWNSDGDSM-QGZVFWFLSA-N 2 1 361.490 0.649 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000652714169 492998152 /nfs/dbraw/zinc/99/81/52/492998152.db2.gz FOJPBSIPGUIDCM-HNNXBMFYSA-N 2 1 354.495 0.191 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC[N@H+]1CCOC ZINC000652714169 492998158 /nfs/dbraw/zinc/99/81/58/492998158.db2.gz FOJPBSIPGUIDCM-HNNXBMFYSA-N 2 1 354.495 0.191 10 0 FCAEMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)C1 ZINC000646002810 492998870 /nfs/dbraw/zinc/99/88/70/492998870.db2.gz FXPGLGGRNVLYQW-CVEARBPZSA-N 2 1 361.494 0.055 10 0 FCAEMP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000632451408 493000260 /nfs/dbraw/zinc/00/02/60/493000260.db2.gz MFJSAUUCVVSQAD-UHFFFAOYSA-N 2 1 359.536 0.989 10 0 FCAEMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658687119 493006853 /nfs/dbraw/zinc/00/68/53/493006853.db2.gz PKFFABWNIFXTKA-KRWDZBQOSA-N 2 1 368.522 0.234 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C[C@H]1C[NH3+] ZINC000652729864 493007468 /nfs/dbraw/zinc/00/74/68/493007468.db2.gz YRWBFCGNUSBEHT-WCXIOVBPSA-N 2 1 366.506 0.282 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658700867 493015845 /nfs/dbraw/zinc/01/58/45/493015845.db2.gz QCBAAEKQIJAGEX-CABCVRRESA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658700867 493015849 /nfs/dbraw/zinc/01/58/49/493015849.db2.gz QCBAAEKQIJAGEX-CABCVRRESA-N 2 1 368.522 0.279 10 0 FCAEMP 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CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627332944 493157883 /nfs/dbraw/zinc/15/78/83/493157883.db2.gz OGGJMHHMCWUUJW-HNNXBMFYSA-N 2 1 354.495 0.381 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000627339766 493161542 /nfs/dbraw/zinc/16/15/42/493161542.db2.gz QCCKRSXXHGMGLJ-HNNXBMFYSA-N 2 1 362.474 0.031 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000627339766 493161545 /nfs/dbraw/zinc/16/15/45/493161545.db2.gz QCCKRSXXHGMGLJ-HNNXBMFYSA-N 2 1 362.474 0.031 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[NH2+]1 ZINC000627345714 493165558 /nfs/dbraw/zinc/16/55/58/493165558.db2.gz SYKRDYKDHOPJIL-QAPCUYQASA-N 2 1 374.485 0.392 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627357488 493173950 /nfs/dbraw/zinc/17/39/50/493173950.db2.gz HSPDPWCPLMJBPX-OWCLPIDISA-N 2 1 350.507 0.871 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000641180754 493176927 /nfs/dbraw/zinc/17/69/27/493176927.db2.gz BVIHWNWYXHMFFV-DLBZAZTESA-N 2 1 365.522 0.842 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000627388521 493195785 /nfs/dbraw/zinc/19/57/85/493195785.db2.gz XUKZYCCBPMBVQA-WBVHZDCISA-N 2 1 374.485 0.390 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000627388097 493195815 /nfs/dbraw/zinc/19/58/15/493195815.db2.gz KUMPHUZLGVVMEF-DOTOQJQBSA-N 2 1 362.474 0.247 10 0 FCAEMP COCC[NH2+]CCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659528961 493206084 /nfs/dbraw/zinc/20/60/84/493206084.db2.gz VTDASTZHJGYMCX-QGZVFWFLSA-N 2 1 350.463 0.288 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659626894 493222988 /nfs/dbraw/zinc/22/29/88/493222988.db2.gz NDHACVWLUBPBBZ-RCCFBDPRSA-N 2 1 363.481 0.883 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659626894 493222991 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366.506 0.189 10 0 FCAEMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)C1 ZINC000659739366 493280234 /nfs/dbraw/zinc/28/02/34/493280234.db2.gz RNNOFNKUEUKMIV-RDJZCZTQSA-N 2 1 374.485 0.769 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)C1 ZINC000659739366 493280238 /nfs/dbraw/zinc/28/02/38/493280238.db2.gz RNNOFNKUEUKMIV-RDJZCZTQSA-N 2 1 374.485 0.769 10 0 FCAEMP C[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000659744795 493283225 /nfs/dbraw/zinc/28/32/25/493283225.db2.gz LIIKDHZSVGMIIS-AFJQURTJSA-N 2 1 370.497 0.978 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C2CC2)C1=O ZINC000667812228 493303274 /nfs/dbraw/zinc/30/32/74/493303274.db2.gz HMLFQYYZCPPGKV-QGZVFWFLSA-N 2 1 365.522 0.761 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668504169 493367011 /nfs/dbraw/zinc/36/70/11/493367011.db2.gz RHKNDSDYYIIAEQ-NVXWUHKLSA-N 2 1 366.506 0.035 10 0 FCAEMP 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ZINC000660865729 493388865 /nfs/dbraw/zinc/38/88/65/493388865.db2.gz UFGDQXNPERDNJS-SJORKVTESA-N 2 1 367.538 0.565 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660865729 493388866 /nfs/dbraw/zinc/38/88/66/493388866.db2.gz UFGDQXNPERDNJS-SJORKVTESA-N 2 1 367.538 0.565 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605947 493451189 /nfs/dbraw/zinc/45/11/89/493451189.db2.gz SRWXVXRCBVYXFX-GVDBMIGSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605947 493451193 /nfs/dbraw/zinc/45/11/93/493451193.db2.gz SRWXVXRCBVYXFX-GVDBMIGSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000661605947 493451196 /nfs/dbraw/zinc/45/11/96/493451196.db2.gz SRWXVXRCBVYXFX-GVDBMIGSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661636507 493453838 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0.921 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[C@H]1F ZINC000662943894 493558171 /nfs/dbraw/zinc/55/81/71/493558171.db2.gz DHDQTQVZZWUXAK-XZDPQHSOSA-N 2 1 352.454 0.359 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@@H]1Cc1ccccc1 ZINC000662975913 493562990 /nfs/dbraw/zinc/56/29/90/493562990.db2.gz KUSJKMNWKRTANG-GNZRSQJKSA-N 2 1 356.470 0.321 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@@H]1Cc1ccccc1 ZINC000662975913 493562993 /nfs/dbraw/zinc/56/29/93/493562993.db2.gz KUSJKMNWKRTANG-GNZRSQJKSA-N 2 1 356.470 0.321 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484173 493573298 /nfs/dbraw/zinc/57/32/98/493573298.db2.gz OKXXXKFCLBVBMT-SFHVURJKSA-N 2 1 358.486 0.978 10 0 FCAEMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(CO)COCCN1Cc1ccccc1)C1CC1 ZINC000663366966 493585488 /nfs/dbraw/zinc/58/54/88/493585488.db2.gz YIWHKLTYLFROSS-UXHICEINSA-N 2 1 363.502 0.295 10 0 FCAEMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(CO)COCCN1Cc1ccccc1)C1CC1 ZINC000663366966 493585489 /nfs/dbraw/zinc/58/54/89/493585489.db2.gz YIWHKLTYLFROSS-UXHICEINSA-N 2 1 363.502 0.295 10 0 FCAEMP CCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000664141744 493639230 /nfs/dbraw/zinc/63/92/30/493639230.db2.gz BWYQYEOOUOGDEV-DLBZAZTESA-N 2 1 353.511 0.129 10 0 FCAEMP CCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000664141744 493639231 /nfs/dbraw/zinc/63/92/31/493639231.db2.gz BWYQYEOOUOGDEV-DLBZAZTESA-N 2 1 353.511 0.129 10 0 FCAEMP CCN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000664141744 493639234 /nfs/dbraw/zinc/63/92/34/493639234.db2.gz BWYQYEOOUOGDEV-DLBZAZTESA-N 2 1 353.511 0.129 10 0 FCAEMP CCN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664143271 493640216 /nfs/dbraw/zinc/64/02/16/493640216.db2.gz PWIYFWIDJQGJFK-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP CCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664143271 493640217 /nfs/dbraw/zinc/64/02/17/493640217.db2.gz PWIYFWIDJQGJFK-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP CCN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664143271 493640220 /nfs/dbraw/zinc/64/02/20/493640220.db2.gz PWIYFWIDJQGJFK-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CCc2sccc2C1 ZINC000671150747 493643688 /nfs/dbraw/zinc/64/36/88/493643688.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 1 364.515 0.821 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1)N1CCc2sccc2C1 ZINC000671150747 493643689 /nfs/dbraw/zinc/64/36/89/493643689.db2.gz IPEGGLZCDVIKPO-DZGCQCFKSA-N 2 1 364.515 0.821 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1C ZINC000664350702 493654813 /nfs/dbraw/zinc/65/48/13/493654813.db2.gz NMBAOKZIUWDFPX-HNNXBMFYSA-N 2 1 352.483 0.738 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000664449654 493660471 /nfs/dbraw/zinc/66/04/71/493660471.db2.gz ZSGRVPKLAAAUDH-QZTJIDSGSA-N 2 1 369.554 0.813 10 0 FCAEMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000671389427 493663336 /nfs/dbraw/zinc/66/33/36/493663336.db2.gz CSDYJCGHUZOMSK-LSDHHAIUSA-N 2 1 350.463 0.989 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000664532216 493665673 /nfs/dbraw/zinc/66/56/73/493665673.db2.gz PWYXTMLYMDLRDN-AWEZNQCLSA-N 2 1 362.540 0.382 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000664532216 493665675 /nfs/dbraw/zinc/66/56/75/493665675.db2.gz PWYXTMLYMDLRDN-AWEZNQCLSA-N 2 1 362.540 0.382 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000665082683 493698217 /nfs/dbraw/zinc/69/82/17/493698217.db2.gz QBZLFHBSCKWAOH-JYJNAYRXSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000665082683 493698219 /nfs/dbraw/zinc/69/82/19/493698219.db2.gz QBZLFHBSCKWAOH-JYJNAYRXSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000665082681 493698250 /nfs/dbraw/zinc/69/82/50/493698250.db2.gz QBZLFHBSCKWAOH-HRCADAONSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000665082681 493698251 /nfs/dbraw/zinc/69/82/51/493698251.db2.gz QBZLFHBSCKWAOH-HRCADAONSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253973 493706925 /nfs/dbraw/zinc/70/69/25/493706925.db2.gz DXGLQOVKEDLQOA-OAGGEKHMSA-N 2 1 371.526 0.146 10 0 FCAEMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000665253973 493706928 /nfs/dbraw/zinc/70/69/28/493706928.db2.gz DXGLQOVKEDLQOA-OAGGEKHMSA-N 2 1 371.526 0.146 10 0 FCAEMP CC(C)C(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665637223 493728951 /nfs/dbraw/zinc/72/89/51/493728951.db2.gz YHIKHRCWVUNWHL-INIZCTEOSA-N 2 1 355.527 0.768 10 0 FCAEMP CC(C)C(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665637223 493728953 /nfs/dbraw/zinc/72/89/53/493728953.db2.gz YHIKHRCWVUNWHL-INIZCTEOSA-N 2 1 355.527 0.768 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000665762301 493734569 /nfs/dbraw/zinc/73/45/69/493734569.db2.gz AAAMLFVCKFIMCU-BBWFWOEESA-N 2 1 355.527 0.373 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000665762301 493734572 /nfs/dbraw/zinc/73/45/72/493734572.db2.gz AAAMLFVCKFIMCU-BBWFWOEESA-N 2 1 355.527 0.373 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672102387 493736098 /nfs/dbraw/zinc/73/60/98/493736098.db2.gz PXUIPAKNCJDCRF-PREGVCBESA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000665764206 493736439 /nfs/dbraw/zinc/73/64/39/493736439.db2.gz YDHJMSGUTFRNQM-ARFHVFGLSA-N 2 1 353.511 0.569 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000665764206 493736440 /nfs/dbraw/zinc/73/64/40/493736440.db2.gz YDHJMSGUTFRNQM-ARFHVFGLSA-N 2 1 353.511 0.569 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000672164361 493739784 /nfs/dbraw/zinc/73/97/84/493739784.db2.gz YPQREROQGXFVEJ-YESZJQIVSA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304783 493752277 /nfs/dbraw/zinc/75/22/77/493752277.db2.gz LPCUMWZGWCAJMM-INMHGKMJSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000672309887 493754265 /nfs/dbraw/zinc/75/42/65/493754265.db2.gz ZMQUNXPTIVHRFP-OIISXLGYSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000672309887 493754267 /nfs/dbraw/zinc/75/42/67/493754267.db2.gz ZMQUNXPTIVHRFP-OIISXLGYSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000672309887 493754269 /nfs/dbraw/zinc/75/42/69/493754269.db2.gz ZMQUNXPTIVHRFP-OIISXLGYSA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419147765 535081878 /nfs/dbraw/zinc/08/18/78/535081878.db2.gz IGNHNVROMNDHOE-DLBZAZTESA-N 2 1 352.523 0.977 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)C1 ZINC000443339268 535116521 /nfs/dbraw/zinc/11/65/21/535116521.db2.gz BYIZDYNABSQCBK-BSDSXHPESA-N 2 1 355.523 0.941 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)C1 ZINC000443339268 535116523 /nfs/dbraw/zinc/11/65/23/535116523.db2.gz BYIZDYNABSQCBK-BSDSXHPESA-N 2 1 355.523 0.941 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)C1 ZINC000443339268 535116527 /nfs/dbraw/zinc/11/65/27/535116527.db2.gz BYIZDYNABSQCBK-BSDSXHPESA-N 2 1 355.523 0.941 10 0 FCAEMP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCCC[NH3+])cc1Br ZINC000415292456 536012916 /nfs/dbraw/zinc/01/29/16/536012916.db2.gz LUTITWHGGZDHKN-UHFFFAOYSA-N 2 1 357.252 0.914 10 0 FCAEMP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1Br ZINC000415337029 536013279 /nfs/dbraw/zinc/01/32/79/536013279.db2.gz RYCPDAPXMNTYSF-LBPRGKRZSA-N 2 1 369.263 0.927 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000419415614 536123520 /nfs/dbraw/zinc/12/35/20/536123520.db2.gz VLOVCIHCLKZEAG-HIFRSBDPSA-N 2 1 352.504 0.973 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+]2CCO)CCCO1 ZINC000458713400 546928702 /nfs/dbraw/zinc/92/87/02/546928702.db2.gz HMJPSFIFOWMKOX-DLBZAZTESA-N 2 1 356.511 0.633 10 0 FCAEMP C[C@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCCO1 ZINC000458713400 546928706 /nfs/dbraw/zinc/92/87/06/546928706.db2.gz HMJPSFIFOWMKOX-DLBZAZTESA-N 2 1 356.511 0.633 10 0 FCAEMP C[C@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CCCO1 ZINC000458713400 546928710 /nfs/dbraw/zinc/92/87/10/546928710.db2.gz HMJPSFIFOWMKOX-DLBZAZTESA-N 2 1 356.511 0.633 10 0 FCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000550372406 547083462 /nfs/dbraw/zinc/08/34/62/547083462.db2.gz JXPRBCPDEJEDIO-HNNXBMFYSA-N 2 1 350.463 0.943 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550904305 547114771 /nfs/dbraw/zinc/11/47/71/547114771.db2.gz VIBIJFUZLLNQEC-BZUAXINKSA-N 2 1 350.507 0.966 10 0 FCAEMP CC(C)Nc1nc(NCC[NH+]2[C@H](C)CCC[C@H]2C)nc(NCCO)[nH+]1 ZINC000553058636 547249223 /nfs/dbraw/zinc/24/92/23/547249223.db2.gz HKAFQIULHLHDIC-ZIAGYGMSSA-N 2 1 351.499 0.037 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000553276988 547266509 /nfs/dbraw/zinc/26/65/09/547266509.db2.gz WADCCSKTPSLURR-JKSUJKDBSA-N 2 1 354.495 0.012 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000553276988 547266511 /nfs/dbraw/zinc/26/65/11/547266511.db2.gz WADCCSKTPSLURR-JKSUJKDBSA-N 2 1 354.495 0.012 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000553276988 547266514 /nfs/dbraw/zinc/26/65/14/547266514.db2.gz WADCCSKTPSLURR-JKSUJKDBSA-N 2 1 354.495 0.012 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000553276988 547266515 /nfs/dbraw/zinc/26/65/15/547266515.db2.gz WADCCSKTPSLURR-JKSUJKDBSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C)C1 ZINC000553497221 547282803 /nfs/dbraw/zinc/28/28/03/547282803.db2.gz AJRYDAXMSCOYBT-BBWFWOEESA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C)C1 ZINC000553497221 547282805 /nfs/dbraw/zinc/28/28/05/547282805.db2.gz AJRYDAXMSCOYBT-BBWFWOEESA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C)C1 ZINC000553497221 547282811 /nfs/dbraw/zinc/28/28/11/547282811.db2.gz AJRYDAXMSCOYBT-BBWFWOEESA-N 2 1 350.507 0.729 10 0 FCAEMP COC(=O)[C@@H]([NH2+]CCCNC(=O)C1C[NH+](C2CCOCC2)C1)C(C)C ZINC000897877778 665778853 /nfs/dbraw/zinc/77/88/53/665778853.db2.gz UGUJGAIIIIISOH-INIZCTEOSA-N 2 1 355.479 0.391 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000897923759 665782534 /nfs/dbraw/zinc/78/25/34/665782534.db2.gz GSCMZQDLNHEAIH-YQQAZPJKSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000897923759 665782539 /nfs/dbraw/zinc/78/25/39/665782539.db2.gz GSCMZQDLNHEAIH-YQQAZPJKSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897923759 665782542 /nfs/dbraw/zinc/78/25/42/665782542.db2.gz GSCMZQDLNHEAIH-YQQAZPJKSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000897923759 665782544 /nfs/dbraw/zinc/78/25/44/665782544.db2.gz GSCMZQDLNHEAIH-YQQAZPJKSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH+](C)C ZINC000937305098 664911132 /nfs/dbraw/zinc/91/11/32/664911132.db2.gz XQEXKFBHFZYZGQ-VIQHNZTISA-N 2 1 350.507 0.869 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C[NH2+]C(C)C)nn2)C1 ZINC000905789596 666037270 /nfs/dbraw/zinc/03/72/70/666037270.db2.gz VMCHFWNQOHXZTJ-MRXNPFEDSA-N 2 1 352.483 0.249 10 0 FCAEMP CCC(CC)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000906083110 666047459 /nfs/dbraw/zinc/04/74/59/666047459.db2.gz MSYXUABLEIEEQF-GOSISDBHSA-N 2 1 354.539 0.733 10 0 FCAEMP CCC(CC)[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000906083110 666047461 /nfs/dbraw/zinc/04/74/61/666047461.db2.gz MSYXUABLEIEEQF-GOSISDBHSA-N 2 1 354.539 0.733 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000906083111 666047531 /nfs/dbraw/zinc/04/75/31/666047531.db2.gz MSYXUABLEIEEQF-SFHVURJKSA-N 2 1 354.539 0.733 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000906083111 666047534 /nfs/dbraw/zinc/04/75/34/666047534.db2.gz MSYXUABLEIEEQF-SFHVURJKSA-N 2 1 354.539 0.733 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)[C@H](C)C1 ZINC000906711148 666063494 /nfs/dbraw/zinc/06/34/94/666063494.db2.gz KNAZCUCMHVELAB-SJLPKXTDSA-N 2 1 354.539 0.733 10 0 FCAEMP CCOCCC[NH+]1CC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)[C@H](C)C1 ZINC000906711148 666063496 /nfs/dbraw/zinc/06/34/96/666063496.db2.gz KNAZCUCMHVELAB-SJLPKXTDSA-N 2 1 354.539 0.733 10 0 FCAEMP CCOCCC[NH+]1CC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000906711148 666063497 /nfs/dbraw/zinc/06/34/97/666063497.db2.gz KNAZCUCMHVELAB-SJLPKXTDSA-N 2 1 354.539 0.733 10 0 FCAEMP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)CC1 ZINC000907356093 666125192 /nfs/dbraw/zinc/12/51/92/666125192.db2.gz VWWBIJVUGAYHRF-VQIMIIECSA-N 2 1 352.523 0.318 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000907780340 666161348 /nfs/dbraw/zinc/16/13/48/666161348.db2.gz 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CBDSFMWPTBTXSU-RYQLBKOJSA-N 2 1 370.563 0.559 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000903746715 675966905 /nfs/dbraw/zinc/96/69/05/675966905.db2.gz FNHNIVNZWJBIRF-LOWDOPEQSA-N 2 1 364.412 0.523 10 0 FCAEMP C[C@H]1CCCCN1C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549598 672135993 /nfs/dbraw/zinc/13/59/93/672135993.db2.gz HDPVXKJEYOEMPX-IMJJTQAJSA-N 2 1 350.463 0.644 10 0 FCAEMP CC1CCN(C(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863550254 672136502 /nfs/dbraw/zinc/13/65/02/672136502.db2.gz RLTUHOJJHAKLCV-CVEARBPZSA-N 2 1 350.463 0.502 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)[C@@H](C)C1 ZINC000866524456 672280129 /nfs/dbraw/zinc/28/01/29/672280129.db2.gz KKZROKWLKZFCMA-XYJFISCASA-N 2 1 355.479 0.934 10 0 FCAEMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706513 672289810 /nfs/dbraw/zinc/28/98/10/672289810.db2.gz BEVBTBIYSJHNLE-FPCVCCKLSA-N 2 1 352.479 0.938 10 0 FCAEMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706513 672289813 /nfs/dbraw/zinc/28/98/13/672289813.db2.gz BEVBTBIYSJHNLE-FPCVCCKLSA-N 2 1 352.479 0.938 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000866711434 672291210 /nfs/dbraw/zinc/29/12/10/672291210.db2.gz KVKIKYRETCYLGT-MXWKQRLJSA-N 2 1 355.332 0.770 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870862886 672515061 /nfs/dbraw/zinc/51/50/61/672515061.db2.gz FBFCSVTWODVNIG-UHFFFAOYSA-N 2 1 350.507 0.921 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870862886 672515063 /nfs/dbraw/zinc/51/50/63/672515063.db2.gz FBFCSVTWODVNIG-UHFFFAOYSA-N 2 1 350.507 0.921 10 0 FCAEMP CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC000871236957 672537823 /nfs/dbraw/zinc/53/78/23/672537823.db2.gz AYVXYMXDZAXYGB-ULQDDVLXSA-N 2 1 350.507 0.872 10 0 FCAEMP CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000871236957 672537827 /nfs/dbraw/zinc/53/78/27/672537827.db2.gz AYVXYMXDZAXYGB-ULQDDVLXSA-N 2 1 350.507 0.872 10 0 FCAEMP CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000871236957 672537829 /nfs/dbraw/zinc/53/78/29/672537829.db2.gz AYVXYMXDZAXYGB-ULQDDVLXSA-N 2 1 350.507 0.872 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NS(=O)(=O)C3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000923634898 672593423 /nfs/dbraw/zinc/59/34/23/672593423.db2.gz KFMIVDZADJHGGE-DLBZAZTESA-N 2 1 351.472 0.864 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NS(=O)(=O)C3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000923634898 672593428 /nfs/dbraw/zinc/59/34/28/672593428.db2.gz KFMIVDZADJHGGE-DLBZAZTESA-N 2 1 351.472 0.864 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872146430 672594547 /nfs/dbraw/zinc/59/45/47/672594547.db2.gz NIBQCRNMRFOOKF-LVQVYYBASA-N 2 1 351.447 0.439 10 0 FCAEMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1C(F)(F)F ZINC000872190589 672599474 /nfs/dbraw/zinc/59/94/74/672599474.db2.gz RLMFVOUQVSVQDT-AAEUAGOBSA-N 2 1 362.396 0.279 10 0 FCAEMP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000872191640 672599862 /nfs/dbraw/zinc/59/98/62/672599862.db2.gz LOXFRUWLHKIIOE-INIZCTEOSA-N 2 1 354.495 0.145 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH+](C)C ZINC000875644403 672901478 /nfs/dbraw/zinc/90/14/78/672901478.db2.gz IJGAVECZIOAYAV-VUCRHFMTSA-N 3 1 351.539 0.992 10 0 FCAEMP Cn1ccnc1C[N@H+](CCCNS(C)(=O)=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000886088389 673557536 /nfs/dbraw/zinc/55/75/36/673557536.db2.gz RTACPSFVGFBAEE-CQSZACIVSA-N 2 1 355.508 0.304 10 0 FCAEMP Cn1ccnc1C[N@@H+](CCCNS(C)(=O)=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000886088389 673557538 /nfs/dbraw/zinc/55/75/38/673557538.db2.gz RTACPSFVGFBAEE-CQSZACIVSA-N 2 1 355.508 0.304 10 0 FCAEMP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000925411359 673791473 /nfs/dbraw/zinc/79/14/73/673791473.db2.gz YDBQPUVOYUSONK-BYICEURKSA-N 2 1 367.515 0.729 10 0 FCAEMP CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000925411359 673791474 /nfs/dbraw/zinc/79/14/74/673791474.db2.gz YDBQPUVOYUSONK-BYICEURKSA-N 2 1 367.515 0.729 10 0 FCAEMP CC1(C)[C@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925569299 673793874 /nfs/dbraw/zinc/79/38/74/673793874.db2.gz FRNMGJZLNXCXOY-CIRFHOKZSA-N 2 1 350.507 0.286 10 0 FCAEMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000926442707 673831521 /nfs/dbraw/zinc/83/15/21/673831521.db2.gz LSHYKXFKBLXZKB-APWZRJJASA-N 2 1 350.507 0.777 10 0 FCAEMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000926442707 673831524 /nfs/dbraw/zinc/83/15/24/673831524.db2.gz LSHYKXFKBLXZKB-APWZRJJASA-N 2 1 350.507 0.777 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000927635183 673872290 /nfs/dbraw/zinc/87/22/90/673872290.db2.gz QATSTUIOLPRMSA-SJORKVTESA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@H]1CCC[NH+]1CCCO ZINC000927635183 673872291 /nfs/dbraw/zinc/87/22/91/673872291.db2.gz QATSTUIOLPRMSA-SJORKVTESA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@H]1CCC[NH+]1CCCO ZINC000927635183 673872292 /nfs/dbraw/zinc/87/22/92/673872292.db2.gz QATSTUIOLPRMSA-SJORKVTESA-N 2 1 354.495 0.386 10 0 FCAEMP COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928071842 673897586 /nfs/dbraw/zinc/89/75/86/673897586.db2.gz FAVUIKAOMFWYCX-JKSUJKDBSA-N 2 1 359.536 0.667 10 0 FCAEMP COCCOCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928071842 673897588 /nfs/dbraw/zinc/89/75/88/673897588.db2.gz FAVUIKAOMFWYCX-JKSUJKDBSA-N 2 1 359.536 0.667 10 0 FCAEMP COCCOCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928071842 673897590 /nfs/dbraw/zinc/89/75/90/673897590.db2.gz FAVUIKAOMFWYCX-JKSUJKDBSA-N 2 1 359.536 0.667 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)CCSCCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928447338 673910204 /nfs/dbraw/zinc/91/02/04/673910204.db2.gz JOGIEFJRQBHQCY-KLHDSHLOSA-N 2 1 370.563 0.917 10 0 FCAEMP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929009929 673936965 /nfs/dbraw/zinc/93/69/65/673936965.db2.gz ANQXLACIQZECIT-KFWWJZLASA-N 2 1 352.504 0.973 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000929168005 673942059 /nfs/dbraw/zinc/94/20/59/673942059.db2.gz HVVWPJVGFYSMDU-HOTGVXAUSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000929168005 673942061 /nfs/dbraw/zinc/94/20/61/673942061.db2.gz HVVWPJVGFYSMDU-HOTGVXAUSA-N 2 1 368.547 0.671 10 0 FCAEMP CC[NH+]1CCCN([C@H](C)CNC(=O)CN2CCC[N@H+](CC)CC2)CC1 ZINC000929482648 673959034 /nfs/dbraw/zinc/95/90/34/673959034.db2.gz QWNHEKSFIWMQBQ-GOSISDBHSA-N 2 1 353.555 0.546 10 0 FCAEMP CC[NH+]1CCCN(CC(=O)NC[C@@H](C)N2CCC[N@H+](CC)CC2)CC1 ZINC000929482648 673959036 /nfs/dbraw/zinc/95/90/36/673959036.db2.gz QWNHEKSFIWMQBQ-GOSISDBHSA-N 2 1 353.555 0.546 10 0 FCAEMP CC[NH+]1CCCN(CC(=O)NC[C@@H](C)N2CCC[N@@H+](CC)CC2)CC1 ZINC000929482648 673959038 /nfs/dbraw/zinc/95/90/38/673959038.db2.gz QWNHEKSFIWMQBQ-GOSISDBHSA-N 2 1 353.555 0.546 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1CCC(C)CC1 ZINC000929785066 673976712 /nfs/dbraw/zinc/97/67/12/673976712.db2.gz LIBHZOFBXCMVIM-TXPKVOOTSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C[C@H](O)COc2ccccc2F)CC[N@H+]1C ZINC001266276771 1167824453 /nfs/dbraw/zinc/82/44/53/1167824453.db2.gz AMVBXXVFPGOOTP-OWCLPIDISA-N 2 1 367.465 0.954 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)C[C@H](O)COc2ccccc2F)CC[NH+]1C ZINC001266276771 1167824454 /nfs/dbraw/zinc/82/44/54/1167824454.db2.gz AMVBXXVFPGOOTP-OWCLPIDISA-N 2 1 367.465 0.954 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)C[C@H](O)COc2ccccc2F)CC[NH+]1C ZINC001266276771 1167824459 /nfs/dbraw/zinc/82/44/59/1167824459.db2.gz AMVBXXVFPGOOTP-OWCLPIDISA-N 2 1 367.465 0.954 10 0 FCAEMP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)cc2)n[nH]1 ZINC000579830849 1167949575 /nfs/dbraw/zinc/94/95/75/1167949575.db2.gz XKTKYVPXCKBEOD-ZDUSSCGKSA-N 2 1 367.417 0.699 10 0 FCAEMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266685720 1170066586 /nfs/dbraw/zinc/06/65/86/1170066586.db2.gz KZHBFORWLGJNFF-APIJFGDWSA-N 2 1 362.478 0.542 10 0 FCAEMP CCOCCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266749058 1170372086 /nfs/dbraw/zinc/37/20/86/1170372086.db2.gz DFZNGLZODJKFGC-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266749058 1170372091 /nfs/dbraw/zinc/37/20/91/1170372091.db2.gz DFZNGLZODJKFGC-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266749058 1170372101 /nfs/dbraw/zinc/37/21/01/1170372101.db2.gz DFZNGLZODJKFGC-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266749058 1170372108 /nfs/dbraw/zinc/37/21/08/1170372108.db2.gz DFZNGLZODJKFGC-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H]1C ZINC001719620860 1170690864 /nfs/dbraw/zinc/69/08/64/1170690864.db2.gz IVASRKFFMTYEQB-IKGGRYGDSA-N 2 1 368.522 0.541 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H]1C ZINC001719620860 1170690873 /nfs/dbraw/zinc/69/08/73/1170690873.db2.gz IVASRKFFMTYEQB-IKGGRYGDSA-N 2 1 368.522 0.541 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H]1C ZINC001719620860 1170690876 /nfs/dbraw/zinc/69/08/76/1170690876.db2.gz IVASRKFFMTYEQB-IKGGRYGDSA-N 2 1 368.522 0.541 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H]1C ZINC001719620860 1170690879 /nfs/dbraw/zinc/69/08/79/1170690879.db2.gz IVASRKFFMTYEQB-IKGGRYGDSA-N 2 1 368.522 0.541 10 0 FCAEMP CCOCCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266909012 1170897535 /nfs/dbraw/zinc/89/75/35/1170897535.db2.gz DLPZYZGNYOUELK-RDHHWEPZSA-N 2 1 368.522 0.496 10 0 FCAEMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000897865004 1192848756 /nfs/dbraw/zinc/84/87/56/1192848756.db2.gz UZCCSPNHUIUMGW-HXUWFJFHSA-N 2 1 373.497 0.633 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000897939561 1192852170 /nfs/dbraw/zinc/85/21/70/1192852170.db2.gz MUGNUAUVCCJKEZ-IXDOHACOSA-N 2 1 366.506 0.081 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000897939561 1192852172 /nfs/dbraw/zinc/85/21/72/1192852172.db2.gz MUGNUAUVCCJKEZ-IXDOHACOSA-N 2 1 366.506 0.081 10 0 FCAEMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000897975141 1192852192 /nfs/dbraw/zinc/85/21/92/1192852192.db2.gz 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C[C@@H](C[NH+](C)CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275559912 1211257513 /nfs/dbraw/zinc/25/75/13/1211257513.db2.gz NNTLHJNMQIZFSG-BFHYXJOUSA-N 2 1 369.510 0.387 10 0 FCAEMP C[C@@H](C[NH+](C)CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275559912 1211257515 /nfs/dbraw/zinc/25/75/15/1211257515.db2.gz NNTLHJNMQIZFSG-BFHYXJOUSA-N 2 1 369.510 0.387 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926296343 1211528021 /nfs/dbraw/zinc/52/80/21/1211528021.db2.gz XCMADGMYNOMETJ-QZTJIDSGSA-N 2 1 358.486 0.917 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)CC2)c1 ZINC000926311319 1211528762 /nfs/dbraw/zinc/52/87/62/1211528762.db2.gz UOJUCTMJDKGTEM-HZPDHXFCSA-N 2 1 359.474 0.482 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926308017 1211529068 /nfs/dbraw/zinc/52/90/68/1211529068.db2.gz LBXZVQTUGSBOFP-HZPDHXFCSA-N 2 1 366.506 0.143 10 0 FCAEMP 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ZINC000927841842 1211584310 /nfs/dbraw/zinc/58/43/10/1211584310.db2.gz STOHGIDCBSHYIU-UHFFFAOYSA-N 2 1 373.501 0.890 10 0 FCAEMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929244755 1211625253 /nfs/dbraw/zinc/62/52/53/1211625253.db2.gz MOSRVRJOCCNQBW-SJORKVTESA-N 2 1 366.506 0.036 10 0 FCAEMP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929244251 1211625411 /nfs/dbraw/zinc/62/54/11/1211625411.db2.gz MDNAWDCWKDOUQE-KRWDZBQOSA-N 2 1 366.506 0.348 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000929400639 1211636098 /nfs/dbraw/zinc/63/60/98/1211636098.db2.gz BZTBPHAWDGAUHN-PFRQMTDMSA-N 2 1 364.534 0.881 10 0 FCAEMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000929400639 1211636100 /nfs/dbraw/zinc/63/61/00/1211636100.db2.gz BZTBPHAWDGAUHN-PFRQMTDMSA-N 2 1 364.534 0.881 10 0 FCAEMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000929400639 1211636104 /nfs/dbraw/zinc/63/61/04/1211636104.db2.gz BZTBPHAWDGAUHN-PFRQMTDMSA-N 2 1 364.534 0.881 10 0 FCAEMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000929400637 1211636132 /nfs/dbraw/zinc/63/61/32/1211636132.db2.gz BZTBPHAWDGAUHN-OGNFBWPZSA-N 2 1 364.534 0.881 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000929512233 1211643519 /nfs/dbraw/zinc/64/35/19/1211643519.db2.gz ZXCBLOGEMCTASJ-YJBOKZPZSA-N 2 1 373.501 0.791 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000929746171 1211658628 /nfs/dbraw/zinc/65/86/28/1211658628.db2.gz AKIXELTUQPUJIR-RDJZCZTQSA-N 2 1 359.474 0.544 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000929996382 1211680136 /nfs/dbraw/zinc/68/01/36/1211680136.db2.gz KEUUSNDFBOHLPY-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CCCC1 ZINC000929996382 1211680141 /nfs/dbraw/zinc/68/01/41/1211680141.db2.gz KEUUSNDFBOHLPY-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1CCCC1 ZINC000929996382 1211680146 /nfs/dbraw/zinc/68/01/46/1211680146.db2.gz KEUUSNDFBOHLPY-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000930057645 1211685293 /nfs/dbraw/zinc/68/52/93/1211685293.db2.gz VTJAYZZAHDNRPA-XLIONFOSSA-N 2 1 358.486 0.978 10 0 FCAEMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000930057645 1211685299 /nfs/dbraw/zinc/68/52/99/1211685299.db2.gz VTJAYZZAHDNRPA-XLIONFOSSA-N 2 1 358.486 0.978 10 0 FCAEMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000930057645 1211685305 /nfs/dbraw/zinc/68/53/05/1211685305.db2.gz VTJAYZZAHDNRPA-XLIONFOSSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000930057645 1211685315 /nfs/dbraw/zinc/68/53/15/1211685315.db2.gz VTJAYZZAHDNRPA-XLIONFOSSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000930146854 1211690811 /nfs/dbraw/zinc/69/08/11/1211690811.db2.gz XKSGKOALYJJDHT-HYVNUMGLSA-N 2 1 361.490 0.790 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000930146855 1211692139 /nfs/dbraw/zinc/69/21/39/1211692139.db2.gz XKSGKOALYJJDHT-OIISXLGYSA-N 2 1 361.490 0.790 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000930366163 1211704996 /nfs/dbraw/zinc/70/49/96/1211704996.db2.gz FLRFADRPEFUREX-DJDHSFSDSA-N 2 1 374.529 0.824 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000930366163 1211705002 /nfs/dbraw/zinc/70/50/02/1211705002.db2.gz FLRFADRPEFUREX-DJDHSFSDSA-N 2 1 374.529 0.824 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000930366163 1211705006 /nfs/dbraw/zinc/70/50/06/1211705006.db2.gz FLRFADRPEFUREX-DJDHSFSDSA-N 2 1 374.529 0.824 10 0 FCAEMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000931483410 1211757591 /nfs/dbraw/zinc/75/75/91/1211757591.db2.gz CGHQQNNVXMQLFP-UHFFFAOYSA-N 2 1 371.485 0.877 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001490843029 1211959539 /nfs/dbraw/zinc/95/95/39/1211959539.db2.gz XHVHNLXYRUEIGY-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001490843029 1211959559 /nfs/dbraw/zinc/95/95/59/1211959559.db2.gz XHVHNLXYRUEIGY-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001490843029 1211959568 /nfs/dbraw/zinc/95/95/68/1211959568.db2.gz XHVHNLXYRUEIGY-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001490843029 1211959572 /nfs/dbraw/zinc/95/95/72/1211959572.db2.gz XHVHNLXYRUEIGY-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP COc1cccc(CNC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779654228 1212804927 /nfs/dbraw/zinc/80/49/27/1212804927.db2.gz ZVUVNVYYRKYDPV-INIZCTEOSA-N 2 1 364.446 0.919 10 0 FCAEMP COc1cccc(CNC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779654228 1212804928 /nfs/dbraw/zinc/80/49/28/1212804928.db2.gz ZVUVNVYYRKYDPV-INIZCTEOSA-N 2 1 364.446 0.919 10 0 FCAEMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@]3(O)CCC[N@H+](C)C3)cc2)CC1 ZINC000900209073 1217971685 /nfs/dbraw/zinc/97/16/85/1217971685.db2.gz OMVOJKJGSXFDGY-OAQYLSRUSA-N 2 1 374.529 0.897 10 0 FCAEMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@]3(O)CCC[N@@H+](C)C3)cc2)CC1 ZINC000900209073 1217971687 /nfs/dbraw/zinc/97/16/87/1217971687.db2.gz OMVOJKJGSXFDGY-OAQYLSRUSA-N 2 1 374.529 0.897 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000900632967 1218014944 /nfs/dbraw/zinc/01/49/44/1218014944.db2.gz GDQDMXXVUIPDPY-UHFFFAOYSA-N 2 1 362.518 0.875 10 0 FCAEMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900675503 1218022496 /nfs/dbraw/zinc/02/24/96/1218022496.db2.gz SCHTZCIEPWUSRZ-XLIONFOSSA-N 2 1 374.485 0.906 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900675503 1218022500 /nfs/dbraw/zinc/02/25/00/1218022500.db2.gz SCHTZCIEPWUSRZ-XLIONFOSSA-N 2 1 374.485 0.906 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001276983617 1225786248 /nfs/dbraw/zinc/78/62/48/1225786248.db2.gz OUNCIADOWWOXTR-KLHDSHLOSA-N 2 1 367.538 0.909 10 0 FCAEMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cn1 ZINC000900832543 1218044050 /nfs/dbraw/zinc/04/40/50/1218044050.db2.gz VWDHAQVIBAMUJQ-JKSUJKDBSA-N 2 1 362.478 0.516 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nnnn1Cc1ccccc1)C2 ZINC000903492707 1218427191 /nfs/dbraw/zinc/42/71/91/1218427191.db2.gz QNXABDUZBNKBLC-DAYGRLMNSA-N 2 1 356.430 0.434 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nnnn1Cc1ccccc1)C2 ZINC000903492707 1218427199 /nfs/dbraw/zinc/42/71/99/1218427199.db2.gz QNXABDUZBNKBLC-DAYGRLMNSA-N 2 1 356.430 0.434 10 0 FCAEMP CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903719780 1218507162 /nfs/dbraw/zinc/50/71/62/1218507162.db2.gz VVZSONNGVPMCEZ-HDICACEKSA-N 2 1 371.485 0.467 10 0 FCAEMP CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903719780 1218507170 /nfs/dbraw/zinc/50/71/70/1218507170.db2.gz VVZSONNGVPMCEZ-HDICACEKSA-N 2 1 371.485 0.467 10 0 FCAEMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000903780683 1218524988 /nfs/dbraw/zinc/52/49/88/1218524988.db2.gz BATSGBLSOXAVNP-INIZCTEOSA-N 2 1 359.474 0.639 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cnn1C ZINC000903899678 1218561383 /nfs/dbraw/zinc/56/13/83/1218561383.db2.gz WGLFZWUXSFTOIX-SJLPKXTDSA-N 2 1 362.522 0.084 10 0 FCAEMP 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CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001118580327 1221803370 /nfs/dbraw/zinc/80/33/70/1221803370.db2.gz BAYRXXQFJBWVFG-QGZVFWFLSA-N 2 1 366.506 0.035 10 0 FCAEMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[nH+]c1 ZINC001118919733 1221844795 /nfs/dbraw/zinc/84/47/95/1221844795.db2.gz NDCABWBMWDWUAB-KDURUIRLSA-N 2 1 359.474 0.766 10 0 FCAEMP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)CC1 ZINC001123705117 1222352833 /nfs/dbraw/zinc/35/28/33/1222352833.db2.gz JFFSRIIAALGVNO-GBESFXJTSA-N 2 1 363.550 0.996 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841215816 1222814089 /nfs/dbraw/zinc/81/40/89/1222814089.db2.gz BQMSFVHFBDNCLV-QAPCUYQASA-N 2 1 373.501 0.881 10 0 FCAEMP O=C(/C=C/C=C/C(=O)NCC[N@@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000848021261 1245354328 /nfs/dbraw/zinc/35/43/28/1245354328.db2.gz WBDVRPRULAINHB-LQIBPGRFSA-N 2 1 358.486 0.855 10 0 FCAEMP NC(=O)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000849064833 1245392057 /nfs/dbraw/zinc/39/20/57/1245392057.db2.gz CUQKDGGXSKVLRJ-HNNXBMFYSA-N 2 1 365.453 0.306 10 0 FCAEMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849522881 1245398065 /nfs/dbraw/zinc/39/80/65/1245398065.db2.gz PTQFGLIVFBAWKS-RCCFBDPRSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849522881 1245398068 /nfs/dbraw/zinc/39/80/68/1245398068.db2.gz PTQFGLIVFBAWKS-RCCFBDPRSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849522881 1245398070 /nfs/dbraw/zinc/39/80/70/1245398070.db2.gz PTQFGLIVFBAWKS-RCCFBDPRSA-N 2 1 363.506 0.682 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550096 1245399913 /nfs/dbraw/zinc/39/99/13/1245399913.db2.gz BVISJZROCRDFCS-NJAFHUGGSA-N 2 1 363.506 0.540 10 0 FCAEMP 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ZINC001328733510 1265605205 /nfs/dbraw/zinc/60/52/05/1265605205.db2.gz RKLQQFOVDKIVCO-SQGPQFPESA-N 2 1 374.460 0.899 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H]1c1ccc(F)cc1 ZINC001328733510 1265605210 /nfs/dbraw/zinc/60/52/10/1265605210.db2.gz RKLQQFOVDKIVCO-SQGPQFPESA-N 2 1 374.460 0.899 10 0 FCAEMP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001519840876 1265782881 /nfs/dbraw/zinc/78/28/81/1265782881.db2.gz QMYLWCHLDOYISE-GVDBMIGSSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001519840876 1265782886 /nfs/dbraw/zinc/78/28/86/1265782886.db2.gz QMYLWCHLDOYISE-GVDBMIGSSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001519840876 1265782891 /nfs/dbraw/zinc/78/28/91/1265782891.db2.gz QMYLWCHLDOYISE-GVDBMIGSSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001519840876 1265782896 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/nfs/dbraw/zinc/46/02/37/1263460237.db2.gz JOKFQSAWKVQCJW-SCTDSRPQSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCOCC3CC3)C2)CC[NH+]1C ZINC001484216161 1263460240 /nfs/dbraw/zinc/46/02/40/1263460240.db2.gz JOKFQSAWKVQCJW-SCTDSRPQSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCOCC3CC3)C2)CC[NH+]1C ZINC001484216161 1263460245 /nfs/dbraw/zinc/46/02/45/1263460245.db2.gz JOKFQSAWKVQCJW-SCTDSRPQSA-N 2 1 353.507 0.696 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001316755479 1263460253 /nfs/dbraw/zinc/46/02/53/1263460253.db2.gz XWQCDDUGDWZKMK-FGTMMUONSA-N 2 1 362.518 0.777 10 0 FCAEMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001316755479 1263460258 /nfs/dbraw/zinc/46/02/58/1263460258.db2.gz XWQCDDUGDWZKMK-FGTMMUONSA-N 2 1 362.518 0.777 10 0 FCAEMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001316755479 1263460264 /nfs/dbraw/zinc/46/02/64/1263460264.db2.gz XWQCDDUGDWZKMK-FGTMMUONSA-N 2 1 362.518 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001484419546 1263470530 /nfs/dbraw/zinc/47/05/30/1263470530.db2.gz XCDSAIXADBETOZ-JFIYKMOQSA-N 2 1 352.523 0.533 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001316893167 1263493343 /nfs/dbraw/zinc/49/33/43/1263493343.db2.gz MLPRSFPLIXHFST-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)[C@H](C)C(=O)NC(=O)NC)CC[NH+]1C ZINC001316893167 1263493353 /nfs/dbraw/zinc/49/33/53/1263493353.db2.gz MLPRSFPLIXHFST-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)[C@H](C)C(=O)NC(=O)NC)CC[NH+]1C ZINC001316893167 1263493361 /nfs/dbraw/zinc/49/33/61/1263493361.db2.gz MLPRSFPLIXHFST-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCN2CCCC2=O)CC[N@H+]1C ZINC001485055802 1263496889 /nfs/dbraw/zinc/49/68/89/1263496889.db2.gz NAZHNEGKMOYKRU-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CCN2CCCC2=O)CC[NH+]1C ZINC001485055802 1263496892 /nfs/dbraw/zinc/49/68/92/1263496892.db2.gz NAZHNEGKMOYKRU-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CCN2CCCC2=O)CC[NH+]1C ZINC001485055802 1263496897 /nfs/dbraw/zinc/49/68/97/1263496897.db2.gz NAZHNEGKMOYKRU-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001317108525 1263502094 /nfs/dbraw/zinc/50/20/94/1263502094.db2.gz HLUSMPDNNLECSM-PNBKFKSVSA-N 2 1 362.474 0.815 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(OCCC[NH2+]CC(=O)NC)CC2)CC[N@H+]1C ZINC001485443192 1263507810 /nfs/dbraw/zinc/50/78/10/1263507810.db2.gz KYHOKPSOGIEMNE-DLBZAZTESA-N 2 1 368.522 0.450 10 0 FCAEMP COCCOCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001485557377 1263509259 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/nfs/dbraw/zinc/51/01/97/1263510197.db2.gz ZONBNJAJVGGREM-LMMKCTJWSA-N 2 1 369.506 0.293 10 0 FCAEMP COCCOCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001485557376 1263510205 /nfs/dbraw/zinc/51/02/05/1263510205.db2.gz ZONBNJAJVGGREM-LMMKCTJWSA-N 2 1 369.506 0.293 10 0 FCAEMP COCCOCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001485557376 1263510210 /nfs/dbraw/zinc/51/02/10/1263510210.db2.gz ZONBNJAJVGGREM-LMMKCTJWSA-N 2 1 369.506 0.293 10 0 FCAEMP CCn1cc(CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001486277106 1263525856 /nfs/dbraw/zinc/52/58/56/1263525856.db2.gz CHGLVCLCCIDMRG-DJIMGWMZSA-N 2 1 351.495 0.195 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2noc3c2CCCC3)CC[N@@H+]1C ZINC001486277988 1263528500 /nfs/dbraw/zinc/52/85/00/1263528500.db2.gz KMEANSMJZPJKFK-RBSFLKMASA-N 2 1 364.490 0.803 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2noc3c2CCCC3)CC[N@H+]1C ZINC001486277988 1263528507 /nfs/dbraw/zinc/52/85/07/1263528507.db2.gz KMEANSMJZPJKFK-RBSFLKMASA-N 2 1 364.490 0.803 10 0 FCAEMP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001491725922 1263617700 /nfs/dbraw/zinc/61/77/00/1263617700.db2.gz ATIAOZCCQCABHW-HRCADAONSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001493137645 1263705087 /nfs/dbraw/zinc/70/50/87/1263705087.db2.gz BDKGOMMBAPDKCH-SJORKVTESA-N 2 1 368.522 0.404 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)C(=O)NC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001493371527 1263719696 /nfs/dbraw/zinc/71/96/96/1263719696.db2.gz CVAISLTVDJVBIM-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)C(=O)NC(=O)NC)C2CC2)CC[N@H+]1C ZINC001493371527 1263719702 /nfs/dbraw/zinc/71/97/02/1263719702.db2.gz CVAISLTVDJVBIM-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C2CC2)CC[NH+]1C ZINC001493371527 1263719708 /nfs/dbraw/zinc/71/97/08/1263719708.db2.gz CVAISLTVDJVBIM-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C2CC2)CC[NH+]1C ZINC001493371527 1263719716 /nfs/dbraw/zinc/71/97/16/1263719716.db2.gz CVAISLTVDJVBIM-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001494983794 1263793205 /nfs/dbraw/zinc/79/32/05/1263793205.db2.gz WHQLGVKWIAVHGJ-AEGPPILISA-N 2 1 367.494 0.189 10 0 FCAEMP CCCn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001495160848 1263801692 /nfs/dbraw/zinc/80/16/92/1263801692.db2.gz MKRBMHBOGZMFDO-HUUCEWRRSA-N 2 1 363.510 0.942 10 0 FCAEMP CCCn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001495160848 1263801707 /nfs/dbraw/zinc/80/17/07/1263801707.db2.gz MKRBMHBOGZMFDO-HUUCEWRRSA-N 2 1 363.510 0.942 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001496062885 1263853404 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/nfs/dbraw/zinc/94/66/71/1263946671.db2.gz SSQVZFDDOGBQTK-QRTFGMIHSA-N 2 1 370.497 0.825 10 0 FCAEMP COCCCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001500161581 1264056226 /nfs/dbraw/zinc/05/62/26/1264056226.db2.gz FNOPNPJQJGVGET-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP COCCCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001500161581 1264056233 /nfs/dbraw/zinc/05/62/33/1264056233.db2.gz FNOPNPJQJGVGET-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP COCCCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001500161581 1264056236 /nfs/dbraw/zinc/05/62/36/1264056236.db2.gz FNOPNPJQJGVGET-CEXWTWQISA-N 2 1 366.550 0.972 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCNC(=O)C3CC3)CCOCC2)CC[N@H+]1C ZINC001500570159 1264073422 /nfs/dbraw/zinc/07/34/22/1264073422.db2.gz AKXFRLMAYKTYEP-GDBMZVCRSA-N 2 1 366.506 0.108 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCc3ccns3)C2)CC[N@H+]1C ZINC001500677453 1264078843 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/nfs/dbraw/zinc/30/27/80/1267302780.db2.gz NHMMAOUHFUXTOG-ARFHVFGLSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001339992800 1268401183 /nfs/dbraw/zinc/40/11/83/1268401183.db2.gz JLASJHBSFNQJKB-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001340619523 1268606736 /nfs/dbraw/zinc/60/67/36/1268606736.db2.gz MHQVXTFQQNXGJE-MRXNPFEDSA-N 2 1 354.414 0.903 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001340619522 1268606913 /nfs/dbraw/zinc/60/69/13/1268606913.db2.gz MHQVXTFQQNXGJE-INIZCTEOSA-N 2 1 354.414 0.903 10 0 FCAEMP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001560216925 1269197627 /nfs/dbraw/zinc/19/76/27/1269197627.db2.gz DAQFJXXHPWDMSF-UHFFFAOYSA-N 2 1 363.506 0.691 10 0 FCAEMP CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001342134214 1269363651 /nfs/dbraw/zinc/36/36/51/1269363651.db2.gz FRRSYXCBULMRII-CVEARBPZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001565895768 1269508163 /nfs/dbraw/zinc/50/81/63/1269508163.db2.gz GUTAIDLHIPJADM-QKPAOTATSA-N 2 1 374.489 0.630 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001566021784 1269558883 /nfs/dbraw/zinc/55/88/83/1269558883.db2.gz PHEJZIZLYZGPOM-LSDHHAIUSA-N 2 1 359.536 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001566021784 1269558889 /nfs/dbraw/zinc/55/88/89/1269558889.db2.gz PHEJZIZLYZGPOM-LSDHHAIUSA-N 2 1 359.536 0.732 10 0 FCAEMP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001566042251 1269572603 /nfs/dbraw/zinc/57/26/03/1269572603.db2.gz JRPMENXIARUXCM-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001566042251 1269572606 /nfs/dbraw/zinc/57/26/06/1269572606.db2.gz JRPMENXIARUXCM-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC(C)OCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001566042251 1269572614 /nfs/dbraw/zinc/57/26/14/1269572614.db2.gz JRPMENXIARUXCM-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC(C)OCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001566042251 1269572619 /nfs/dbraw/zinc/57/26/19/1269572619.db2.gz JRPMENXIARUXCM-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH+](C)[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001566059456 1269589473 /nfs/dbraw/zinc/58/94/73/1269589473.db2.gz SQSFDHPWWDGEFI-BBWFWOEESA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[N@H+](C)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001566059456 1269589477 /nfs/dbraw/zinc/58/94/77/1269589477.db2.gz SQSFDHPWWDGEFI-BBWFWOEESA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[N@@H+](C)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001566059456 1269589479 /nfs/dbraw/zinc/58/94/79/1269589479.db2.gz SQSFDHPWWDGEFI-BBWFWOEESA-N 2 1 368.522 0.354 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001566110843 1269611414 /nfs/dbraw/zinc/61/14/14/1269611414.db2.gz FMTVKMYICPATRA-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001566110843 1269611419 /nfs/dbraw/zinc/61/14/19/1269611419.db2.gz FMTVKMYICPATRA-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001566110843 1269611427 /nfs/dbraw/zinc/61/14/27/1269611427.db2.gz FMTVKMYICPATRA-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001566110843 1269611434 /nfs/dbraw/zinc/61/14/34/1269611434.db2.gz FMTVKMYICPATRA-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCN2CCNC2=O)C2CC2)CC[N@H+]1C ZINC001569304267 1269773520 /nfs/dbraw/zinc/77/35/20/1269773520.db2.gz IKZCPDUUUBAPTB-ARFHVFGLSA-N 2 1 351.495 0.226 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001569982116 1269826661 /nfs/dbraw/zinc/82/66/61/1269826661.db2.gz XESDSGWUPYZARX-HLLBOEOZSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001569982393 1269826748 /nfs/dbraw/zinc/82/67/48/1269826748.db2.gz UIHYBNBRVCCTBJ-BZUAXINKSA-N 2 1 366.485 0.916 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH2+]CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001570255057 1269856263 /nfs/dbraw/zinc/85/62/63/1269856263.db2.gz NYONREZFIWHDAF-UONOGXRCSA-N 2 1 367.494 0.272 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCC3CC3)C2)CC[N@H+]1C ZINC001570283618 1269861528 /nfs/dbraw/zinc/86/15/28/1269861528.db2.gz ROSJCFTWSGXCGX-SZVBFZGTSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001343451057 1269913234 /nfs/dbraw/zinc/91/32/34/1269913234.db2.gz AQKUPOVOVBBZKI-RYRKJORJSA-N 2 1 368.522 0.137 10 0 FCAEMP COCCCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001570896706 1269920874 /nfs/dbraw/zinc/92/08/74/1269920874.db2.gz IWLDEKKZOKLVIZ-OAGGEKHMSA-N 2 1 368.522 0.306 10 0 FCAEMP COCCCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001570896706 1269920882 /nfs/dbraw/zinc/92/08/82/1269920882.db2.gz IWLDEKKZOKLVIZ-OAGGEKHMSA-N 2 1 368.522 0.306 10 0 FCAEMP COCCCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001570896706 1269920886 /nfs/dbraw/zinc/92/08/86/1269920886.db2.gz IWLDEKKZOKLVIZ-OAGGEKHMSA-N 2 1 368.522 0.306 10 0 FCAEMP COCCCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001570896706 1269920891 /nfs/dbraw/zinc/92/08/91/1269920891.db2.gz IWLDEKKZOKLVIZ-OAGGEKHMSA-N 2 1 368.522 0.306 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001343877760 1270039710 /nfs/dbraw/zinc/03/97/10/1270039710.db2.gz NREKENHIZGAGSD-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001343877760 1270039718 /nfs/dbraw/zinc/03/97/18/1270039718.db2.gz NREKENHIZGAGSD-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP C[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001572893115 1270308070 /nfs/dbraw/zinc/30/80/70/1270308070.db2.gz ZESPUFXKSGDKGP-OWCLPIDISA-N 2 1 352.523 0.879 10 0 FCAEMP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001572893115 1270308079 /nfs/dbraw/zinc/30/80/79/1270308079.db2.gz ZESPUFXKSGDKGP-OWCLPIDISA-N 2 1 352.523 0.879 10 0 FCAEMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001572893115 1270308089 /nfs/dbraw/zinc/30/80/89/1270308089.db2.gz ZESPUFXKSGDKGP-OWCLPIDISA-N 2 1 352.523 0.879 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001573174842 1270632185 /nfs/dbraw/zinc/63/21/85/1270632185.db2.gz RBLMGRBMRDJUHL-GVDBMIGSSA-N 2 1 361.490 0.934 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001573174842 1270632193 /nfs/dbraw/zinc/63/21/93/1270632193.db2.gz RBLMGRBMRDJUHL-GVDBMIGSSA-N 2 1 361.490 0.934 10 0 FCAEMP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001573194428 1270655059 /nfs/dbraw/zinc/65/50/59/1270655059.db2.gz GZORWYVHTMSJCX-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001573194428 1270655063 /nfs/dbraw/zinc/65/50/63/1270655063.db2.gz GZORWYVHTMSJCX-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001573363125 1270762141 /nfs/dbraw/zinc/76/21/41/1270762141.db2.gz BGAAKJNOWUXFQB-ZJPYXAASSA-N 2 1 364.534 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001573363125 1270762146 /nfs/dbraw/zinc/76/21/46/1270762146.db2.gz BGAAKJNOWUXFQB-ZJPYXAASSA-N 2 1 364.534 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001573363125 1270762152 /nfs/dbraw/zinc/76/21/52/1270762152.db2.gz BGAAKJNOWUXFQB-ZJPYXAASSA-N 2 1 364.534 0.974 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001573377046 1270766613 /nfs/dbraw/zinc/76/66/13/1270766613.db2.gz DGCMAXBLXBYGAW-ZACQAIPSSA-N 2 1 350.507 0.587 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001573387121 1270769928 /nfs/dbraw/zinc/76/99/28/1270769928.db2.gz JNEHVJACXCEHDU-SJORKVTESA-N 2 1 361.490 0.840 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC001573393735 1270770964 /nfs/dbraw/zinc/77/09/64/1270770964.db2.gz DHIPTVWOSLXJSK-SJORKVTESA-N 2 1 362.518 0.731 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CCCC[NH+](C)C ZINC001573466768 1270785973 /nfs/dbraw/zinc/78/59/73/1270785973.db2.gz WUPOPBFAYYJIIM-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CCCC[NH+](C)C ZINC001573466768 1270785977 /nfs/dbraw/zinc/78/59/77/1270785977.db2.gz WUPOPBFAYYJIIM-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001573876173 1270917139 /nfs/dbraw/zinc/91/71/39/1270917139.db2.gz ZJKNJJMGRCXNQT-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001573876173 1270917141 /nfs/dbraw/zinc/91/71/41/1270917141.db2.gz ZJKNJJMGRCXNQT-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001573876173 1270917150 /nfs/dbraw/zinc/91/71/50/1270917150.db2.gz ZJKNJJMGRCXNQT-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001573898029 1270923486 /nfs/dbraw/zinc/92/34/86/1270923486.db2.gz SYKWCFZJFLGJCH-FGTMMUONSA-N 2 1 364.534 0.881 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001574675998 1271486004 /nfs/dbraw/zinc/48/60/04/1271486004.db2.gz FTTMPPFTBLFPDE-GUXCAODWSA-N 2 1 362.518 0.777 10 0 FCAEMP C[C@@H](O)CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713068291 1287262133 /nfs/dbraw/zinc/26/21/33/1287262133.db2.gz QORBMNIDDNMHNV-KZNAEPCWSA-N 2 1 354.539 0.612 10 0 FCAEMP C[C@@H](O)CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713068291 1287262141 /nfs/dbraw/zinc/26/21/41/1287262141.db2.gz QORBMNIDDNMHNV-KZNAEPCWSA-N 2 1 354.539 0.612 10 0 FCAEMP C[C@@H](O)CCCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713068291 1287262144 /nfs/dbraw/zinc/26/21/44/1287262144.db2.gz QORBMNIDDNMHNV-KZNAEPCWSA-N 2 1 354.539 0.612 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC001713191768 1287270091 /nfs/dbraw/zinc/27/00/91/1287270091.db2.gz NYFRMPTZLKLFLG-RBGFHDKUSA-N 2 1 359.536 0.634 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001713231694 1287271531 /nfs/dbraw/zinc/27/15/31/1287271531.db2.gz RLDRCSHLCKRRKV-IXDOHACOSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOC[C@H]4CCCCO4)C[C@H]32)CC[N@H+]1C ZINC001713281853 1287272458 /nfs/dbraw/zinc/27/24/58/1287272458.db2.gz HFGYQVOHBPBHGL-QMROVXIMSA-N 2 1 365.518 0.959 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOC[C@H]4CCCCO4)C[C@H]32)CC[NH+]1C ZINC001713281853 1287272462 /nfs/dbraw/zinc/27/24/62/1287272462.db2.gz HFGYQVOHBPBHGL-QMROVXIMSA-N 2 1 365.518 0.959 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC[C@H]4CCCCO4)C[C@H]32)CC[NH+]1C ZINC001713281853 1287272469 /nfs/dbraw/zinc/27/24/69/1287272469.db2.gz HFGYQVOHBPBHGL-QMROVXIMSA-N 2 1 365.518 0.959 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001713752424 1287296475 /nfs/dbraw/zinc/29/64/75/1287296475.db2.gz OVLGVUWTVDOIAL-BZUAXINKSA-N 2 1 364.490 0.256 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001713752424 1287296477 /nfs/dbraw/zinc/29/64/77/1287296477.db2.gz OVLGVUWTVDOIAL-BZUAXINKSA-N 2 1 364.490 0.256 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CCN3C(=O)CCC3=O)C2)CC[NH+]1C ZINC001713752424 1287296478 /nfs/dbraw/zinc/29/64/78/1287296478.db2.gz OVLGVUWTVDOIAL-BZUAXINKSA-N 2 1 364.490 0.256 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H](O)COCc3ccco3)C2)CC[N@H+]1C ZINC001713901557 1287305822 /nfs/dbraw/zinc/30/58/22/1287305822.db2.gz RIWPTDFYPWYWCO-UWWQBHOKSA-N 2 1 365.474 0.545 10 0 FCAEMP CC(C)NC(=O)NCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714000936 1287309919 /nfs/dbraw/zinc/30/99/19/1287309919.db2.gz MDBQZXMWXMNAOZ-OWCLPIDISA-N 2 1 353.511 0.567 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714000936 1287309921 /nfs/dbraw/zinc/30/99/21/1287309921.db2.gz MDBQZXMWXMNAOZ-OWCLPIDISA-N 2 1 353.511 0.567 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714000936 1287309924 /nfs/dbraw/zinc/30/99/24/1287309924.db2.gz MDBQZXMWXMNAOZ-OWCLPIDISA-N 2 1 353.511 0.567 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001714706671 1287332609 /nfs/dbraw/zinc/33/26/09/1287332609.db2.gz LJTLRYFLECOHCN-JKSUJKDBSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)o1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715328345 1287349540 /nfs/dbraw/zinc/34/95/40/1287349540.db2.gz JFEZYGCVQXFWAL-UMVBOHGHSA-N 2 1 371.503 0.960 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001716542501 1287383295 /nfs/dbraw/zinc/38/32/95/1287383295.db2.gz HNYNQKYDPQUDCH-ZIAGYGMSSA-N 2 1 367.494 0.095 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001717032272 1287404879 /nfs/dbraw/zinc/40/48/79/1287404879.db2.gz NJQWHJPNWSMYSI-QBPKDAKJSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001717032272 1287404885 /nfs/dbraw/zinc/40/48/85/1287404885.db2.gz NJQWHJPNWSMYSI-QBPKDAKJSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001717032272 1287404893 /nfs/dbraw/zinc/40/48/93/1287404893.db2.gz NJQWHJPNWSMYSI-QBPKDAKJSA-N 2 1 371.547 0.827 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001717032272 1287404897 /nfs/dbraw/zinc/40/48/97/1287404897.db2.gz NJQWHJPNWSMYSI-QBPKDAKJSA-N 2 1 371.547 0.827 10 0 FCAEMP CCN(C)C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001717632050 1287431516 /nfs/dbraw/zinc/43/15/16/1287431516.db2.gz XXPQNNJNRCUSCX-SMOSDQRPSA-N 2 1 364.534 0.975 10 0 FCAEMP CCN(C)C(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001717632050 1287431521 /nfs/dbraw/zinc/43/15/21/1287431521.db2.gz XXPQNNJNRCUSCX-SMOSDQRPSA-N 2 1 364.534 0.975 10 0 FCAEMP CCN(C)C(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001717632050 1287431527 /nfs/dbraw/zinc/43/15/27/1287431527.db2.gz XXPQNNJNRCUSCX-SMOSDQRPSA-N 2 1 364.534 0.975 10 0 FCAEMP C[C@H](CCC[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717669101 1287432944 /nfs/dbraw/zinc/43/29/44/1287432944.db2.gz OWAFLYWWKARXHP-BFYDXBDKSA-N 2 1 368.522 0.496 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cnoc2C)CC[N@@H+]1C ZINC001717938824 1287447520 /nfs/dbraw/zinc/44/75/20/1287447520.db2.gz TWKBBMOEWTZNDX-IXDOHACOSA-N 2 1 352.479 0.964 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cnoc2C)CC[N@H+]1C ZINC001717938824 1287447522 /nfs/dbraw/zinc/44/75/22/1287447522.db2.gz TWKBBMOEWTZNDX-IXDOHACOSA-N 2 1 352.479 0.964 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cnoc2C)CC[NH+]1C ZINC001717938824 1287447526 /nfs/dbraw/zinc/44/75/26/1287447526.db2.gz TWKBBMOEWTZNDX-IXDOHACOSA-N 2 1 352.479 0.964 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cnoc2C)CC[NH+]1C ZINC001717938824 1287447530 /nfs/dbraw/zinc/44/75/30/1287447530.db2.gz TWKBBMOEWTZNDX-IXDOHACOSA-N 2 1 352.479 0.964 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001718070704 1287458609 /nfs/dbraw/zinc/45/86/09/1287458609.db2.gz XKVHJIXSQSSJFT-ARAOSMHQSA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001718070704 1287458615 /nfs/dbraw/zinc/45/86/15/1287458615.db2.gz XKVHJIXSQSSJFT-ARAOSMHQSA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001718070704 1287458619 /nfs/dbraw/zinc/45/86/19/1287458619.db2.gz XKVHJIXSQSSJFT-ARAOSMHQSA-N 2 1 350.507 0.822 10 0 FCAEMP CC(C)[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001718619572 1287531595 /nfs/dbraw/zinc/53/15/95/1287531595.db2.gz GQVIBIZYSOMJLW-HYVNUMGLSA-N 2 1 368.522 0.040 10 0 FCAEMP 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Cc1nnc(C[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001284869291 864600624 /nfs/dbraw/zinc/60/06/24/864600624.db2.gz PFXWOOUVGUCXGN-TZMCWYRMSA-N 2 1 355.508 0.751 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001285006020 864604806 /nfs/dbraw/zinc/60/48/06/864604806.db2.gz BVLFJHPAHNIOJN-FXUDXRNXSA-N 2 1 350.507 0.869 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285006020 864604811 /nfs/dbraw/zinc/60/48/11/864604811.db2.gz BVLFJHPAHNIOJN-FXUDXRNXSA-N 2 1 350.507 0.869 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001285006020 864604812 /nfs/dbraw/zinc/60/48/12/864604812.db2.gz BVLFJHPAHNIOJN-FXUDXRNXSA-N 2 1 350.507 0.869 10 0 FCAEMP CC[C@@H](C(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)[NH+](C)C ZINC001288443780 864791387 /nfs/dbraw/zinc/79/13/87/864791387.db2.gz HWUGCZCDXYILFK-OIISXLGYSA-N 2 1 350.507 0.942 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001288961887 864828472 /nfs/dbraw/zinc/82/84/72/864828472.db2.gz QTBYWDYWSMALOG-DOTOQJQBSA-N 2 1 350.507 0.870 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001288961887 864828488 /nfs/dbraw/zinc/82/84/88/864828488.db2.gz QTBYWDYWSMALOG-DOTOQJQBSA-N 2 1 350.507 0.870 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001288961887 864828509 /nfs/dbraw/zinc/82/85/09/864828509.db2.gz QTBYWDYWSMALOG-DOTOQJQBSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001289305053 865012005 /nfs/dbraw/zinc/01/20/05/865012005.db2.gz OZWUTEKGKCUYER-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001289852345 865297284 /nfs/dbraw/zinc/29/72/84/865297284.db2.gz VYSYJCMDKFSUDC-HZPDHXFCSA-N 2 1 350.507 0.729 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001291992947 865663583 /nfs/dbraw/zinc/66/35/83/865663583.db2.gz GTFIXWGUODGERK-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001292582961 865746531 /nfs/dbraw/zinc/74/65/31/865746531.db2.gz SHHDQYGIEJVJGR-RCCFBDPRSA-N 3 1 354.539 0.706 10 0 FCAEMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001292582961 865746538 /nfs/dbraw/zinc/74/65/38/865746538.db2.gz SHHDQYGIEJVJGR-RCCFBDPRSA-N 3 1 354.539 0.706 10 0 FCAEMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001292582961 865746544 /nfs/dbraw/zinc/74/65/44/865746544.db2.gz SHHDQYGIEJVJGR-RCCFBDPRSA-N 3 1 354.539 0.706 10 0 FCAEMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001292582961 865746550 /nfs/dbraw/zinc/74/65/50/865746550.db2.gz SHHDQYGIEJVJGR-RCCFBDPRSA-N 2 1 354.539 0.706 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001292582961 865746555 /nfs/dbraw/zinc/74/65/55/865746555.db2.gz SHHDQYGIEJVJGR-RCCFBDPRSA-N 2 1 354.539 0.706 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCCNC(=O)C[NH+]2CCCC2)C2CC2)CC[N@H+]1C ZINC001294599303 865843405 /nfs/dbraw/zinc/84/34/05/865843405.db2.gz BOMCPINNWIVGNF-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[N@@H+]1C ZINC001351984502 867010417 /nfs/dbraw/zinc/01/04/17/867010417.db2.gz LVIOAMFVYSWQOC-GVDBMIGSSA-N 2 1 350.507 0.633 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[N@H+]1C ZINC001351984502 867010432 /nfs/dbraw/zinc/01/04/32/867010432.db2.gz LVIOAMFVYSWQOC-GVDBMIGSSA-N 2 1 350.507 0.633 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001316665518 867384952 /nfs/dbraw/zinc/38/49/52/867384952.db2.gz YXEXPSKVMDSGCP-HZSPNIEDSA-N 2 1 355.483 0.047 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001316693156 867402625 /nfs/dbraw/zinc/40/26/25/867402625.db2.gz LZAHWOWVINSOFV-OWCLPIDISA-N 2 1 354.495 0.188 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001316797518 867499267 /nfs/dbraw/zinc/49/92/67/867499267.db2.gz MVHJGFFECOXAPA-XHSDSOJGSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001316797518 867499279 /nfs/dbraw/zinc/49/92/79/867499279.db2.gz MVHJGFFECOXAPA-XHSDSOJGSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001316797518 867499290 /nfs/dbraw/zinc/49/92/90/867499290.db2.gz MVHJGFFECOXAPA-XHSDSOJGSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001316797518 867499299 /nfs/dbraw/zinc/49/92/99/867499299.db2.gz MVHJGFFECOXAPA-XHSDSOJGSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001316962792 867513921 /nfs/dbraw/zinc/51/39/21/867513921.db2.gz GHHGORNECXXTFH-OKZBNKHCSA-N 2 1 352.523 0.487 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001321066259 868356625 /nfs/dbraw/zinc/35/66/25/868356625.db2.gz ZMCOFKALTBEGLO-OPVGQWETSA-N 2 1 350.385 0.267 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001326560316 870381778 /nfs/dbraw/zinc/38/17/78/870381778.db2.gz JDOHTQMEHXNSLV-GOEBONIOSA-N 2 1 354.495 0.155 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001326560317 870382176 /nfs/dbraw/zinc/38/21/76/870382176.db2.gz JDOHTQMEHXNSLV-HOCLYGCPSA-N 2 1 354.495 0.155 10 0 FCAEMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001327505554 870914398 /nfs/dbraw/zinc/91/43/98/870914398.db2.gz SUHBRMRVVHRXIB-UHOFOFEASA-N 2 1 350.438 0.801 10 0 FCAEMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001327505554 870914413 /nfs/dbraw/zinc/91/44/13/870914413.db2.gz SUHBRMRVVHRXIB-UHOFOFEASA-N 2 1 350.438 0.801 10 0 FCAEMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001345154734 871208230 /nfs/dbraw/zinc/20/82/30/871208230.db2.gz KCWCCKLBJACEHU-JKSUJKDBSA-N 2 1 350.438 0.803 10 0 FCAEMP CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001345154734 871208250 /nfs/dbraw/zinc/20/82/50/871208250.db2.gz KCWCCKLBJACEHU-JKSUJKDBSA-N 2 1 350.438 0.803 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001345578146 871420039 /nfs/dbraw/zinc/42/00/39/871420039.db2.gz DOVDBHCYGXMDBL-OAGGEKHMSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001328657085 871565606 /nfs/dbraw/zinc/56/56/06/871565606.db2.gz NEJFHLJPYKJXRJ-HIFRSBDPSA-N 2 1 350.467 0.182 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001345953067 871576131 /nfs/dbraw/zinc/57/61/31/871576131.db2.gz OPNOLOAYGSLYRU-RVKKMQEKSA-N 2 1 354.495 0.384 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001345953067 871576144 /nfs/dbraw/zinc/57/61/44/871576144.db2.gz OPNOLOAYGSLYRU-RVKKMQEKSA-N 2 1 354.495 0.384 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001345953067 871576157 /nfs/dbraw/zinc/57/61/57/871576157.db2.gz OPNOLOAYGSLYRU-RVKKMQEKSA-N 2 1 354.495 0.384 10 0 FCAEMP CC1(C)CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC(C)(C)[NH2+]1 ZINC001345977629 871584754 /nfs/dbraw/zinc/58/47/54/871584754.db2.gz FWADCTZVHGTBJH-AWEZNQCLSA-N 2 1 353.511 0.888 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001346106123 871648373 /nfs/dbraw/zinc/64/83/73/871648373.db2.gz BTROHAGZKSLQHU-SOLBZPMBSA-N 2 1 354.495 0.243 10 0 FCAEMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001346106123 871648381 /nfs/dbraw/zinc/64/83/81/871648381.db2.gz BTROHAGZKSLQHU-SOLBZPMBSA-N 2 1 354.495 0.243 10 0 FCAEMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001346106123 871648389 /nfs/dbraw/zinc/64/83/89/871648389.db2.gz BTROHAGZKSLQHU-SOLBZPMBSA-N 2 1 354.495 0.243 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC001330081248 872451987 /nfs/dbraw/zinc/45/19/87/872451987.db2.gz HGKSKZQHBICSTB-FRRDWIJNSA-N 2 1 364.412 0.381 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC001330081248 872451996 /nfs/dbraw/zinc/45/19/96/872451996.db2.gz HGKSKZQHBICSTB-FRRDWIJNSA-N 2 1 364.412 0.381 10 0 FCAEMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001331476981 873118472 /nfs/dbraw/zinc/11/84/72/873118472.db2.gz VPLFXALVLGQVBL-MAZHCROVSA-N 2 1 350.438 0.659 10 0 FCAEMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001331476981 873118488 /nfs/dbraw/zinc/11/84/88/873118488.db2.gz VPLFXALVLGQVBL-MAZHCROVSA-N 2 1 350.438 0.659 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001331756306 873230009 /nfs/dbraw/zinc/23/00/09/873230009.db2.gz ROMLNRHXGBNYLL-VHDGCEQUSA-N 2 1 357.476 0.068 10 0 FCAEMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC001332001327 873328877 /nfs/dbraw/zinc/32/88/77/873328877.db2.gz POFKPYGTKYZKOL-DOTOQJQBSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CCC(C)(CO)CC1)[NH+]1CCC(C)(CO)CC1 ZINC001333342396 873915535 /nfs/dbraw/zinc/91/55/35/873915535.db2.gz PWUQOKCFCBPDAT-INIZCTEOSA-N 2 1 355.523 0.680 10 0 FCAEMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000930368071 674016676 /nfs/dbraw/zinc/01/66/76/674016676.db2.gz QWEPPEQANYUOOD-WNKDZCFJSA-N 2 1 350.507 0.539 10 0 FCAEMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000930368071 674016679 /nfs/dbraw/zinc/01/66/79/674016679.db2.gz QWEPPEQANYUOOD-WNKDZCFJSA-N 2 1 350.507 0.539 10 0 FCAEMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000930368071 674016683 /nfs/dbraw/zinc/01/66/83/674016683.db2.gz QWEPPEQANYUOOD-WNKDZCFJSA-N 2 1 350.507 0.539 10 0 FCAEMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000930368073 674016757 /nfs/dbraw/zinc/01/67/57/674016757.db2.gz QWEPPEQANYUOOD-ZYGGUILKSA-N 2 1 350.507 0.539 10 0 FCAEMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000930368073 674016761 /nfs/dbraw/zinc/01/67/61/674016761.db2.gz QWEPPEQANYUOOD-ZYGGUILKSA-N 2 1 350.507 0.539 10 0 FCAEMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000930368073 674016763 /nfs/dbraw/zinc/01/67/63/674016763.db2.gz QWEPPEQANYUOOD-ZYGGUILKSA-N 2 1 350.507 0.539 10 0 FCAEMP 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ZINC000278829084 488898496 /nfs/dbraw/zinc/89/84/96/488898496.db2.gz ILXHJUBLWCAXRP-KRWDZBQOSA-N 2 1 372.469 0.815 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278829084 488898500 /nfs/dbraw/zinc/89/85/00/488898500.db2.gz ILXHJUBLWCAXRP-KRWDZBQOSA-N 2 1 372.469 0.815 10 0 FCAEMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCC(=O)N3CCOCC3)CCCN2C)cn1 ZINC000328648795 488926576 /nfs/dbraw/zinc/92/65/76/488926576.db2.gz USPDHYJVEBTEAY-QFBILLFUSA-N 2 1 363.506 0.984 10 0 FCAEMP CN1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000288064538 488939409 /nfs/dbraw/zinc/93/94/09/488939409.db2.gz ADXQBFBBJUAQSY-ROUUACIJSA-N 2 1 356.470 0.855 10 0 FCAEMP C[NH+](C)C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000045185961 487933163 /nfs/dbraw/zinc/93/31/63/487933163.db2.gz IBQCESMUHGWAKT-QGZVFWFLSA-N 2 1 361.490 0.753 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569778885 491191159 /nfs/dbraw/zinc/19/11/59/491191159.db2.gz 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CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cn1cncn1 ZINC000073965200 488386897 /nfs/dbraw/zinc/38/68/97/488386897.db2.gz SVTSJBLBEDYDEI-HOTGVXAUSA-N 2 1 351.499 0.724 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1nc(C)no1 ZINC000073980636 488387266 /nfs/dbraw/zinc/38/72/66/488387266.db2.gz DDGOFNLSPXYJBE-HNNXBMFYSA-N 2 1 352.483 0.978 10 0 FCAEMP CC[C@H]1CN(C(=O)NC2CC[NH+](CCCOC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000185047781 488399148 /nfs/dbraw/zinc/39/91/48/488399148.db2.gz BUAZKYWGWSRASH-AEFFLSMTSA-N 2 1 370.538 0.974 10 0 FCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000076401983 488404370 /nfs/dbraw/zinc/40/43/70/488404370.db2.gz UYZPTNMSJFWICF-HOTGVXAUSA-N 2 1 353.511 0.747 10 0 FCAEMP C[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000076401983 488404372 /nfs/dbraw/zinc/40/43/72/488404372.db2.gz UYZPTNMSJFWICF-HOTGVXAUSA-N 2 1 353.511 0.747 10 0 FCAEMP C[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000076401983 488404373 /nfs/dbraw/zinc/40/43/73/488404373.db2.gz UYZPTNMSJFWICF-HOTGVXAUSA-N 2 1 353.511 0.747 10 0 FCAEMP CC[NH+]1CCC[C@H](NC(=O)COCC(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000246796346 488476094 /nfs/dbraw/zinc/47/60/94/488476094.db2.gz DIOSPPXBPPLCET-HOTGVXAUSA-N 2 1 354.495 0.204 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000247649825 488488990 /nfs/dbraw/zinc/48/89/90/488488990.db2.gz WJPMBCZHRMCHRZ-FGTMMUONSA-N 2 1 352.523 0.460 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000247649825 488488992 /nfs/dbraw/zinc/48/89/92/488488992.db2.gz WJPMBCZHRMCHRZ-FGTMMUONSA-N 2 1 352.523 0.460 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000248217037 488494447 /nfs/dbraw/zinc/49/44/47/488494447.db2.gz ZWDKIPQBUZNXQT-QRVBRYPASA-N 3 1 366.550 0.876 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000248217037 488494449 /nfs/dbraw/zinc/49/44/49/488494449.db2.gz 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374.529 0.764 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000249548051 488511456 /nfs/dbraw/zinc/51/14/56/488511456.db2.gz GVUCBKOTNCIHNY-QWFCFKBJSA-N 2 1 374.529 0.764 10 0 FCAEMP COCC[NH+]1CCN(C/C=C/CN2CC[N@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000106107568 488511790 /nfs/dbraw/zinc/51/17/90/488511790.db2.gz WELFWLDCWIMQJL-VGIQHARFSA-N 2 1 368.566 0.848 10 0 FCAEMP COCC[NH+]1CCN(C/C=C/CN2CC[N@H+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000106107568 488511792 /nfs/dbraw/zinc/51/17/92/488511792.db2.gz WELFWLDCWIMQJL-VGIQHARFSA-N 2 1 368.566 0.848 10 0 FCAEMP COCC[NH+]1CCN(C/C=C/CN2CC[N@@H+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000106107568 488511794 /nfs/dbraw/zinc/51/17/94/488511794.db2.gz WELFWLDCWIMQJL-VGIQHARFSA-N 2 1 368.566 0.848 10 0 FCAEMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000255794490 488523163 /nfs/dbraw/zinc/52/31/63/488523163.db2.gz LUHGJKTZTGQXFT-DIYYGHKSSA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C[C@@H]1C ZINC000255794490 488523164 /nfs/dbraw/zinc/52/31/64/488523164.db2.gz LUHGJKTZTGQXFT-DIYYGHKSSA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C[C@@H]1C ZINC000255794490 488523166 /nfs/dbraw/zinc/52/31/66/488523166.db2.gz LUHGJKTZTGQXFT-DIYYGHKSSA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111686014 488531591 /nfs/dbraw/zinc/53/15/91/488531591.db2.gz WJPMBCZHRMCHRZ-KURKYZTESA-N 2 1 352.523 0.460 10 0 FCAEMP O=C(NC[C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261905071 488541314 /nfs/dbraw/zinc/54/13/14/488541314.db2.gz SCRRLLYSKFUBSU-HZPDHXFCSA-N 2 1 372.473 0.076 10 0 FCAEMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261980163 488544429 /nfs/dbraw/zinc/54/44/29/488544429.db2.gz RPTGOGJBMPLVHV-BBWFWOEESA-N 2 1 359.536 0.937 10 0 FCAEMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000120613929 488562444 /nfs/dbraw/zinc/56/24/44/488562444.db2.gz ULDCUWHYJOSVCD-IBGZPJMESA-N 2 1 364.490 0.631 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000124524770 488594191 /nfs/dbraw/zinc/59/41/91/488594191.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 2 1 367.538 0.517 10 0 FCAEMP COCC[NH+](C)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124524770 488594192 /nfs/dbraw/zinc/59/41/92/488594192.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 2 1 367.538 0.517 10 0 FCAEMP COCC[NH+](C)CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124524770 488594194 /nfs/dbraw/zinc/59/41/94/488594194.db2.gz YTWRIHGTMXVHOY-JWTNVVGKSA-N 2 1 367.538 0.517 10 0 FCAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1O[C@H](C)C(=O)N(C)C ZINC000263135098 488605214 /nfs/dbraw/zinc/60/52/14/488605214.db2.gz BZNPHCTUWAKYGD-BMFZPTHFSA-N 2 1 365.474 0.611 10 0 FCAEMP O=C(NC[C@H](O)CN1CCOCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000132330567 488652638 /nfs/dbraw/zinc/65/26/38/488652638.db2.gz PNSLRVBUZVFNCT-RBUKOAKNSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@H](O)CN1CCOCC1)[C@H]1CCCCN1Cc1ccccc1 ZINC000132330567 488652640 /nfs/dbraw/zinc/65/26/40/488652640.db2.gz PNSLRVBUZVFNCT-RBUKOAKNSA-N 2 1 361.486 0.850 10 0 FCAEMP COC(=O)[C@@H](O)C1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000135388865 488672314 /nfs/dbraw/zinc/67/23/14/488672314.db2.gz WCSFIZNQXYEPOV-MSOLQXFVSA-N 2 1 350.459 0.725 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)c(=O)n2C ZINC000139842336 488685602 /nfs/dbraw/zinc/68/56/02/488685602.db2.gz YCHPXVWVKWHJLF-CABCVRRESA-N 2 1 374.489 0.240 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)c(=O)n2C ZINC000139842336 488685605 /nfs/dbraw/zinc/68/56/05/488685605.db2.gz YCHPXVWVKWHJLF-CABCVRRESA-N 2 1 374.489 0.240 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C)C1)c(=O)n2C ZINC000139842336 488685608 /nfs/dbraw/zinc/68/56/08/488685608.db2.gz YCHPXVWVKWHJLF-CABCVRRESA-N 2 1 374.489 0.240 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000167814812 488812467 /nfs/dbraw/zinc/81/24/67/488812467.db2.gz JIPNHRQMBOTLGV-DLBZAZTESA-N 2 1 350.507 0.907 10 0 FCAEMP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000168400293 488812853 /nfs/dbraw/zinc/81/28/53/488812853.db2.gz AGSVUETUWNSFRK-QGZVFWFLSA-N 2 1 360.458 0.117 10 0 FCAEMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000171899788 488828411 /nfs/dbraw/zinc/82/84/11/488828411.db2.gz UPMFRVPJMLTKQP-KRWDZBQOSA-N 2 1 358.490 0.823 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933310 488828837 /nfs/dbraw/zinc/82/88/37/488828837.db2.gz IORAXRKPIURUBO-OALUTQOASA-N 2 1 365.566 0.641 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933310 488828839 /nfs/dbraw/zinc/82/88/39/488828839.db2.gz IORAXRKPIURUBO-OALUTQOASA-N 2 1 365.566 0.641 10 0 FCAEMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173818295 488845606 /nfs/dbraw/zinc/84/56/06/488845606.db2.gz OWSJAMGZATXMRQ-JKSUJKDBSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173818295 488845607 /nfs/dbraw/zinc/84/56/07/488845607.db2.gz OWSJAMGZATXMRQ-JKSUJKDBSA-N 2 1 351.495 0.419 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000174832577 488851675 /nfs/dbraw/zinc/85/16/75/488851675.db2.gz JYWZSRXHSLXAPN-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1ccnc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000174832577 488851676 /nfs/dbraw/zinc/85/16/76/488851676.db2.gz JYWZSRXHSLXAPN-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1ccnc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000174832577 488851677 /nfs/dbraw/zinc/85/16/77/488851677.db2.gz JYWZSRXHSLXAPN-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000174877590 488852004 /nfs/dbraw/zinc/85/20/04/488852004.db2.gz UXWNMPGQSOFYOA-OAHLLOKOSA-N 2 1 351.495 0.419 10 0 FCAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000174877590 488852005 /nfs/dbraw/zinc/85/20/05/488852005.db2.gz UXWNMPGQSOFYOA-OAHLLOKOSA-N 2 1 351.495 0.419 10 0 FCAEMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000364914706 489017117 /nfs/dbraw/zinc/01/71/17/489017117.db2.gz FXHLLGBKRQHDML-QGZVFWFLSA-N 2 1 360.506 0.920 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000364914706 489017120 /nfs/dbraw/zinc/01/71/20/489017120.db2.gz FXHLLGBKRQHDML-QGZVFWFLSA-N 2 1 360.506 0.920 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000365405172 489072269 /nfs/dbraw/zinc/07/22/69/489072269.db2.gz RUHMNPFRBUBRNL-MSOLQXFVSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@H]1C ZINC000563302257 491235885 /nfs/dbraw/zinc/23/58/85/491235885.db2.gz GEHGNVOQPHOQIN-CABCVRRESA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@H]1C ZINC000563302257 491235886 /nfs/dbraw/zinc/23/58/86/491235886.db2.gz GEHGNVOQPHOQIN-CABCVRRESA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)N2CCN(CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000332982378 489254041 /nfs/dbraw/zinc/25/40/41/489254041.db2.gz XUZNRARBZUXFEQ-LSDHHAIUSA-N 2 1 351.495 0.417 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000332982378 489254044 /nfs/dbraw/zinc/25/40/44/489254044.db2.gz XUZNRARBZUXFEQ-LSDHHAIUSA-N 2 1 351.495 0.417 10 0 FCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000286995525 489450649 /nfs/dbraw/zinc/45/06/49/489450649.db2.gz PXKWLUJBIMCWEQ-HIFRSBDPSA-N 2 1 364.494 0.291 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000286995525 489450653 /nfs/dbraw/zinc/45/06/53/489450653.db2.gz PXKWLUJBIMCWEQ-HIFRSBDPSA-N 2 1 364.494 0.291 10 0 FCAEMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415511213 489526388 /nfs/dbraw/zinc/52/63/88/489526388.db2.gz NPEHYFVGJZXCLM-SOUVJXGZSA-N 2 1 362.474 0.945 10 0 FCAEMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415511213 489526391 /nfs/dbraw/zinc/52/63/91/489526391.db2.gz NPEHYFVGJZXCLM-SOUVJXGZSA-N 2 1 362.474 0.945 10 0 FCAEMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000415787583 489553234 /nfs/dbraw/zinc/55/32/34/489553234.db2.gz QNCHCSFQPSMUEQ-GOSISDBHSA-N 2 1 366.437 0.726 10 0 FCAEMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415872473 489562138 /nfs/dbraw/zinc/56/21/38/489562138.db2.gz SEPQBXAUXKJNBG-GOSISDBHSA-N 2 1 374.485 0.758 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000416297790 489579729 /nfs/dbraw/zinc/57/97/29/489579729.db2.gz QEHLJEBQZXSWCW-DLBZAZTESA-N 2 1 353.507 0.935 10 0 FCAEMP O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)N1CC[NH2+]CC1 ZINC000570785611 491264550 /nfs/dbraw/zinc/26/45/50/491264550.db2.gz CBXGVWXINPNOQP-DLBZAZTESA-N 2 1 357.458 0.200 10 0 FCAEMP C[C@H](c1ccccc1)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(N)=O ZINC000428861244 489666704 /nfs/dbraw/zinc/66/67/04/489666704.db2.gz JKDUAHMDZXTIDJ-KUHUBIRLSA-N 2 1 358.486 0.977 10 0 FCAEMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)[C@H](C)C1 ZINC000458396946 489681362 /nfs/dbraw/zinc/68/13/62/489681362.db2.gz DLCJHQDAJBKTSW-KURKYZTESA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)[C@H](C)C1 ZINC000458396946 489681363 /nfs/dbraw/zinc/68/13/63/489681363.db2.gz DLCJHQDAJBKTSW-KURKYZTESA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](CCO)C[C@H]2C)[C@H](C)C1 ZINC000458396946 489681364 /nfs/dbraw/zinc/68/13/64/489681364.db2.gz DLCJHQDAJBKTSW-KURKYZTESA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)[C@H](C)C1 ZINC000458396946 489681365 /nfs/dbraw/zinc/68/13/65/489681365.db2.gz DLCJHQDAJBKTSW-KURKYZTESA-N 2 1 370.538 0.831 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@](C)(O)C(=O)OC)CC2)CC1 ZINC000429676390 489697049 /nfs/dbraw/zinc/69/70/49/489697049.db2.gz JQZIACKFNMKPQH-SFHVURJKSA-N 2 1 355.479 0.177 10 0 FCAEMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418756650 489722910 /nfs/dbraw/zinc/72/29/10/489722910.db2.gz YLNUANUXBHSDFI-NVXWUHKLSA-N 2 1 368.428 0.920 10 0 FCAEMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000418833094 489745330 /nfs/dbraw/zinc/74/53/30/489745330.db2.gz ZUVODVURIPGGTH-YLJYHZDGSA-N 2 1 358.486 0.978 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418879652 489772326 /nfs/dbraw/zinc/77/23/26/489772326.db2.gz NNHRMISTQHLVHS-DLBZAZTESA-N 2 1 360.458 0.554 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NCCC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418879652 489772331 /nfs/dbraw/zinc/77/23/31/489772331.db2.gz NNHRMISTQHLVHS-DLBZAZTESA-N 2 1 360.458 0.554 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418882806 489773191 /nfs/dbraw/zinc/77/31/91/489773191.db2.gz UFMXFAJAYVZSRJ-ZLIFDBKOSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418882806 489773193 /nfs/dbraw/zinc/77/31/93/489773193.db2.gz UFMXFAJAYVZSRJ-ZLIFDBKOSA-N 2 1 360.458 0.553 10 0 FCAEMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000418903422 489782763 /nfs/dbraw/zinc/78/27/63/489782763.db2.gz BCQQRHHVXYSYCS-MSOLQXFVSA-N 2 1 374.485 0.521 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737189 489788035 /nfs/dbraw/zinc/78/80/35/489788035.db2.gz PHAAIFPMEVKXDR-SJLPKXTDSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737189 489788041 /nfs/dbraw/zinc/78/80/41/489788041.db2.gz PHAAIFPMEVKXDR-SJLPKXTDSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737189 489788044 /nfs/dbraw/zinc/78/80/44/489788044.db2.gz PHAAIFPMEVKXDR-SJLPKXTDSA-N 2 1 353.507 0.960 10 0 FCAEMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418913835 489789055 /nfs/dbraw/zinc/78/90/55/489789055.db2.gz OHHMWBYICFRVEQ-KRWDZBQOSA-N 2 1 360.458 0.003 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@@H](C)C1 ZINC000419035157 489827071 /nfs/dbraw/zinc/82/70/71/489827071.db2.gz FLQSPWJTIVKKAJ-LTIDMASMSA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419082723 489849669 /nfs/dbraw/zinc/84/96/69/489849669.db2.gz VBYHPCYDGICAPZ-MSOLQXFVSA-N 2 1 373.501 0.935 10 0 FCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419082723 489849670 /nfs/dbraw/zinc/84/96/70/489849670.db2.gz VBYHPCYDGICAPZ-MSOLQXFVSA-N 2 1 373.501 0.935 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419103623 489856296 /nfs/dbraw/zinc/85/62/96/489856296.db2.gz SFLMODQWLNLXEA-AWEZNQCLSA-N 2 1 372.391 0.861 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419103623 489856302 /nfs/dbraw/zinc/85/63/02/489856302.db2.gz SFLMODQWLNLXEA-AWEZNQCLSA-N 2 1 372.391 0.861 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419109161 489857678 /nfs/dbraw/zinc/85/76/78/489857678.db2.gz AMWIJRDZFQPLKM-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP CS[C@@H]1CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1[NH+](C)C ZINC000377176849 489863748 /nfs/dbraw/zinc/86/37/48/489863748.db2.gz BQJPUJJWQTXWFB-GVDBMIGSSA-N 2 1 372.579 0.437 10 0 FCAEMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419982133 489872073 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YMQYSLNAVDQLOV-IAGOWNOFSA-N 2 1 358.486 0.628 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000568052691 491550747 /nfs/dbraw/zinc/55/07/47/491550747.db2.gz FTECJNCZEKLCPG-INIZCTEOSA-N 2 1 355.527 0.280 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@H]1C ZINC000568093452 491552723 /nfs/dbraw/zinc/55/27/23/491552723.db2.gz SKZNDSHGYYXEPS-WBVHZDCISA-N 2 1 368.522 0.545 10 0 FCAEMP CCN(C(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668422196 493351267 /nfs/dbraw/zinc/35/12/67/493351267.db2.gz SVUFJVSJWAZTFL-MRXNPFEDSA-N 2 1 357.458 0.936 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000561121502 491576696 /nfs/dbraw/zinc/57/66/96/491576696.db2.gz NUDIVPNOLPAVCH-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000561121502 491576697 /nfs/dbraw/zinc/57/66/97/491576697.db2.gz NUDIVPNOLPAVCH-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP 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C[C@@H]1CC[NH+](CC(=O)NC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)C1 ZINC000569443477 491661647 /nfs/dbraw/zinc/66/16/47/491661647.db2.gz KDCDJMQFNZNSJC-INMHGKMJSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)NC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)C1 ZINC000569443477 491661650 /nfs/dbraw/zinc/66/16/50/491661650.db2.gz KDCDJMQFNZNSJC-INMHGKMJSA-N 2 1 350.507 0.681 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668465933 493359685 /nfs/dbraw/zinc/35/96/85/493359685.db2.gz NFIIXFWUYQZNDL-SFHVURJKSA-N 2 1 373.501 0.715 10 0 FCAEMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1=O ZINC000578326097 491674870 /nfs/dbraw/zinc/67/48/70/491674870.db2.gz DRDUQDDQAGIXQD-DAYGRLMNSA-N 2 1 354.470 0.479 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1=O ZINC000578326097 491674871 /nfs/dbraw/zinc/67/48/71/491674871.db2.gz DRDUQDDQAGIXQD-DAYGRLMNSA-N 2 1 354.470 0.479 10 0 FCAEMP O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)N1CCC[NH2+]CC1 ZINC000579931573 491709697 /nfs/dbraw/zinc/70/96/97/491709697.db2.gz QRMRAFKSIIPDLG-ROUUACIJSA-N 2 1 371.485 0.590 10 0 FCAEMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000579932926 491709729 /nfs/dbraw/zinc/70/97/29/491709729.db2.gz ZVKWJCBVXCMFSQ-YOEHRIQHSA-N 2 1 359.474 0.812 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000584865995 491717927 /nfs/dbraw/zinc/71/79/27/491717927.db2.gz LMRLGSUPVNTDRJ-UXLLHSPISA-N 2 1 350.507 0.942 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@@H](C)C1 ZINC000584865995 491717928 /nfs/dbraw/zinc/71/79/28/491717928.db2.gz LMRLGSUPVNTDRJ-UXLLHSPISA-N 2 1 350.507 0.942 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000584865995 491717929 /nfs/dbraw/zinc/71/79/29/491717929.db2.gz LMRLGSUPVNTDRJ-UXLLHSPISA-N 2 1 350.507 0.942 10 0 FCAEMP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000581429824 491772717 /nfs/dbraw/zinc/77/27/17/491772717.db2.gz JXCLPSQSGIDTBO-IYBDPMFKSA-N 2 1 374.485 0.990 10 0 FCAEMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582536851 491816534 /nfs/dbraw/zinc/81/65/34/491816534.db2.gz VGRKMRDYCFLNIX-NRFANRHFSA-N 2 1 370.497 0.763 10 0 FCAEMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582536851 491816535 /nfs/dbraw/zinc/81/65/35/491816535.db2.gz VGRKMRDYCFLNIX-NRFANRHFSA-N 2 1 370.497 0.763 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000592054245 491829610 /nfs/dbraw/zinc/82/96/10/491829610.db2.gz JFDGDBFASATJEO-RHSMWYFYSA-N 2 1 363.458 0.804 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000592054245 491829612 /nfs/dbraw/zinc/82/96/12/491829612.db2.gz JFDGDBFASATJEO-RHSMWYFYSA-N 2 1 363.458 0.804 10 0 FCAEMP CCO[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000582974133 491834707 /nfs/dbraw/zinc/83/47/07/491834707.db2.gz SOXHNYCBPFTBOT-BJWYYQGGSA-N 2 1 368.522 0.308 10 0 FCAEMP CCO[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000582974133 491834709 /nfs/dbraw/zinc/83/47/09/491834709.db2.gz SOXHNYCBPFTBOT-BJWYYQGGSA-N 2 1 368.522 0.308 10 0 FCAEMP CCO[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000582974133 491834710 /nfs/dbraw/zinc/83/47/10/491834710.db2.gz SOXHNYCBPFTBOT-BJWYYQGGSA-N 2 1 368.522 0.308 10 0 FCAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000583747053 491851175 /nfs/dbraw/zinc/85/11/75/491851175.db2.gz REYWQGWTSOALJZ-QFBILLFUSA-N 2 1 350.507 0.921 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583948660 491855244 /nfs/dbraw/zinc/85/52/44/491855244.db2.gz UNUBUVWGUIUBED-PMPSAXMXSA-N 2 1 370.538 0.837 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612039528 491893643 /nfs/dbraw/zinc/89/36/43/491893643.db2.gz FUANHFSOESVRIP-CAOSSQGBSA-N 2 1 368.522 0.589 10 0 FCAEMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896667 491960081 /nfs/dbraw/zinc/96/00/81/491960081.db2.gz TZRWAGPUVLCRRU-QAETUUGQSA-N 2 1 367.490 0.759 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614068801 492013551 /nfs/dbraw/zinc/01/35/51/492013551.db2.gz PKWLHMDYWMYGKD-VQTJNVASSA-N 2 1 361.486 0.539 10 0 FCAEMP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614506840 492035622 /nfs/dbraw/zinc/03/56/22/492035622.db2.gz JHGJAQPVCNEPHZ-KRWDZBQOSA-N 2 1 350.507 0.528 10 0 FCAEMP O=C(NCCCC[NH+]1CCOCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603817089 492042767 /nfs/dbraw/zinc/04/27/67/492042767.db2.gz MSERYQNSUXFEBL-HXUWFJFHSA-N 2 1 361.486 0.852 10 0 FCAEMP CC1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000615182845 492077382 /nfs/dbraw/zinc/07/73/82/492077382.db2.gz LRSHFYPGXUGWRT-ZMSHIADSSA-N 2 1 360.502 0.194 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000605222151 492087760 /nfs/dbraw/zinc/08/77/60/492087760.db2.gz BHIYRSHERRITOH-SJORKVTESA-N 2 1 360.506 0.986 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000605222151 492087761 /nfs/dbraw/zinc/08/77/61/492087761.db2.gz BHIYRSHERRITOH-SJORKVTESA-N 2 1 360.506 0.986 10 0 FCAEMP CCOC(=O)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000599326100 492160440 /nfs/dbraw/zinc/16/04/40/492160440.db2.gz IZDZEYOBNPYZJN-MRXNPFEDSA-N 2 1 355.479 0.177 10 0 FCAEMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nnn1-c1cnn(C)c1 ZINC000617503446 492172217 /nfs/dbraw/zinc/17/22/17/492172217.db2.gz JTBQTBKMUMVCQD-ZDUSSCGKSA-N 2 1 362.482 0.311 10 0 FCAEMP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nnn1-c1cnn(C)c1 ZINC000617503446 492172219 /nfs/dbraw/zinc/17/22/19/492172219.db2.gz JTBQTBKMUMVCQD-ZDUSSCGKSA-N 2 1 362.482 0.311 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617503652 492172275 /nfs/dbraw/zinc/17/22/75/492172275.db2.gz SMZYMVPXGZEGST-JYJNAYRXSA-N 2 1 366.506 0.550 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000617503652 492172277 /nfs/dbraw/zinc/17/22/77/492172277.db2.gz SMZYMVPXGZEGST-JYJNAYRXSA-N 2 1 366.506 0.550 10 0 FCAEMP CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506277 492173000 /nfs/dbraw/zinc/17/30/00/492173000.db2.gz IHDQBMIDEGSPOW-HOTGVXAUSA-N 2 1 355.527 0.957 10 0 FCAEMP CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506277 492173004 /nfs/dbraw/zinc/17/30/04/492173004.db2.gz IHDQBMIDEGSPOW-HOTGVXAUSA-N 2 1 355.527 0.957 10 0 FCAEMP 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ZINC000617505271 492173069 /nfs/dbraw/zinc/17/30/69/492173069.db2.gz ZSCLVFLICWYYKV-AWEZNQCLSA-N 2 1 370.519 0.477 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000617504239 492173075 /nfs/dbraw/zinc/17/30/75/492173075.db2.gz LXMUGKWVLKTVFQ-ZQIUZPCESA-N 2 1 356.536 0.829 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000617504239 492173077 /nfs/dbraw/zinc/17/30/77/492173077.db2.gz LXMUGKWVLKTVFQ-ZQIUZPCESA-N 2 1 356.536 0.829 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(Cc2ccccn2)nn1 ZINC000617505970 492173257 /nfs/dbraw/zinc/17/32/57/492173257.db2.gz WUUPTJNUYJEUGL-HNNXBMFYSA-N 2 1 359.478 0.723 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(Cc2ccccn2)nn1 ZINC000617505970 492173258 /nfs/dbraw/zinc/17/32/58/492173258.db2.gz WUUPTJNUYJEUGL-HNNXBMFYSA-N 2 1 359.478 0.723 10 0 FCAEMP CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554383 492175595 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O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000631916839 492882906 /nfs/dbraw/zinc/88/29/06/492882906.db2.gz ASJXDGGXYMEOJI-MSOLQXFVSA-N 2 1 367.515 0.459 10 0 FCAEMP CCO[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652122588 492882978 /nfs/dbraw/zinc/88/29/78/492882978.db2.gz CGDKPJBRRRLJLE-QKPAOTATSA-N 2 1 356.511 0.879 10 0 FCAEMP CCO[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652122588 492882980 /nfs/dbraw/zinc/88/29/80/492882980.db2.gz CGDKPJBRRRLJLE-QKPAOTATSA-N 2 1 356.511 0.879 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652169518 492889846 /nfs/dbraw/zinc/88/98/46/492889846.db2.gz DIGVHYZPVNODLC-WCXIOVBPSA-N 2 1 354.495 0.635 10 0 FCAEMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631950867 492896848 /nfs/dbraw/zinc/89/68/48/492896848.db2.gz SMZMPKOSTRJIKJ-MSOLQXFVSA-N 2 1 367.515 0.553 10 0 FCAEMP 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CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000638429556 492945618 /nfs/dbraw/zinc/94/56/18/492945618.db2.gz KHIBVEJSAPCWSN-CMKODMSKSA-N 2 1 360.502 0.686 10 0 FCAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000638429556 492945623 /nfs/dbraw/zinc/94/56/23/492945623.db2.gz KHIBVEJSAPCWSN-CMKODMSKSA-N 2 1 360.502 0.686 10 0 FCAEMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000645622633 492946576 /nfs/dbraw/zinc/94/65/76/492946576.db2.gz OKGPNBCZYKRNPX-PBHICJAKSA-N 2 1 360.458 0.728 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H]1C ZINC000658603279 492977012 /nfs/dbraw/zinc/97/70/12/492977012.db2.gz SYYCHFHNMBFABH-IXDOHACOSA-N 2 1 368.522 0.497 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H]1C ZINC000658603279 492977015 /nfs/dbraw/zinc/97/70/15/492977015.db2.gz SYYCHFHNMBFABH-IXDOHACOSA-N 2 1 368.522 0.497 10 0 FCAEMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@H](C)O1 ZINC000652674813 492985911 /nfs/dbraw/zinc/98/59/11/492985911.db2.gz GONDPPJYXKITFY-KBPBESRZSA-N 2 1 354.495 0.236 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684649 492989708 /nfs/dbraw/zinc/98/97/08/492989708.db2.gz UCQXGRKXIQTGHB-NVXWUHKLSA-N 2 1 358.486 0.868 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000658670309 493001115 /nfs/dbraw/zinc/00/11/15/493001115.db2.gz RVNGKHYPVHNOCN-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000658670309 493001120 /nfs/dbraw/zinc/00/11/20/493001120.db2.gz RVNGKHYPVHNOCN-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000658670309 493001125 /nfs/dbraw/zinc/00/11/25/493001125.db2.gz RVNGKHYPVHNOCN-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000658670309 493001130 /nfs/dbraw/zinc/00/11/30/493001130.db2.gz RVNGKHYPVHNOCN-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)CC[C@H]21 ZINC000658705670 493019338 /nfs/dbraw/zinc/01/93/38/493019338.db2.gz KHHMCSZKOSMRIY-BZUAXINKSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)CC[C@H]21 ZINC000658705670 493019340 /nfs/dbraw/zinc/01/93/40/493019340.db2.gz KHHMCSZKOSMRIY-BZUAXINKSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)CC[C@H]21 ZINC000658705670 493019343 /nfs/dbraw/zinc/01/93/43/493019343.db2.gz KHHMCSZKOSMRIY-BZUAXINKSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817963 493025926 /nfs/dbraw/zinc/02/59/26/493025926.db2.gz WLTJGEDAUMJPDL-BBRMVZONSA-N 2 1 360.458 0.906 10 0 FCAEMP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000632550221 493026871 /nfs/dbraw/zinc/02/68/71/493026871.db2.gz SHORAHYGEVDWCP-QGZVFWFLSA-N 2 1 355.504 0.624 10 0 FCAEMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626829163 493028970 /nfs/dbraw/zinc/02/89/70/493028970.db2.gz SUJLXBIJDQOVHF-CQSZACIVSA-N 2 1 360.458 0.955 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801190 493058837 /nfs/dbraw/zinc/05/88/37/493058837.db2.gz GJGUZSRRSCSTQZ-DLBZAZTESA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658801190 493058840 /nfs/dbraw/zinc/05/88/40/493058840.db2.gz GJGUZSRRSCSTQZ-DLBZAZTESA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658801190 493058842 /nfs/dbraw/zinc/05/88/42/493058842.db2.gz GJGUZSRRSCSTQZ-DLBZAZTESA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801195 493058945 /nfs/dbraw/zinc/05/89/45/493058945.db2.gz GJGUZSRRSCSTQZ-IAGOWNOFSA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658801195 493058946 /nfs/dbraw/zinc/05/89/46/493058946.db2.gz GJGUZSRRSCSTQZ-IAGOWNOFSA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658801195 493058949 /nfs/dbraw/zinc/05/89/49/493058949.db2.gz GJGUZSRRSCSTQZ-IAGOWNOFSA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801367 493059885 /nfs/dbraw/zinc/05/98/85/493059885.db2.gz ARVREKRRTXEAAP-QGZVFWFLSA-N 2 1 366.506 0.110 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658801767 493060549 /nfs/dbraw/zinc/06/05/49/493060549.db2.gz JRXZPQKKOXKMDE-IRXDYDNUSA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658802451 493060612 /nfs/dbraw/zinc/06/06/12/493060612.db2.gz NPPQHEMOVMZOEQ-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000626937557 493067642 /nfs/dbraw/zinc/06/76/42/493067642.db2.gz VHCBRLCGIRWKOW-UHFFFAOYSA-N 2 1 367.469 0.612 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826692 493074203 /nfs/dbraw/zinc/07/42/03/493074203.db2.gz RKODSVDHKVWIOB-DLBZAZTESA-N 2 1 350.507 0.873 10 0 FCAEMP CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626991612 493077049 /nfs/dbraw/zinc/07/70/49/493077049.db2.gz IZXBZWZLXZQYSP-UHFFFAOYSA-N 2 1 354.499 0.071 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000632723227 493077597 /nfs/dbraw/zinc/07/75/97/493077597.db2.gz MWTLCYCVBGCLJX-JKSUJKDBSA-N 2 1 350.507 0.872 10 0 FCAEMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155783 493079448 /nfs/dbraw/zinc/07/94/48/493079448.db2.gz GMXQNHTXVUQOEW-BJLQDIEVSA-N 2 1 359.470 0.630 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH2+]1 ZINC000627035025 493083464 /nfs/dbraw/zinc/08/34/64/493083464.db2.gz SUADAJGRZUKVGM-MGLUKCQKSA-N 2 1 351.495 0.510 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627117014 493089586 /nfs/dbraw/zinc/08/95/86/493089586.db2.gz CLQBCHITXVRGCR-SFHVURJKSA-N 2 1 363.506 0.338 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627117014 493089588 /nfs/dbraw/zinc/08/95/88/493089588.db2.gz CLQBCHITXVRGCR-SFHVURJKSA-N 2 1 363.506 0.338 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627117612 493090910 /nfs/dbraw/zinc/09/09/10/493090910.db2.gz VFOPOFUYGUMBKI-HZPDHXFCSA-N 2 1 354.495 0.507 10 0 FCAEMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)cc2C1 ZINC000658902305 493106209 /nfs/dbraw/zinc/10/62/09/493106209.db2.gz SEHXHVUZCOZAMG-SFHVURJKSA-N 2 1 372.469 0.628 10 0 FCAEMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)cc2C1 ZINC000658902305 493106213 /nfs/dbraw/zinc/10/62/13/493106213.db2.gz SEHXHVUZCOZAMG-SFHVURJKSA-N 2 1 372.469 0.628 10 0 FCAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2C1 ZINC000658902305 493106219 /nfs/dbraw/zinc/10/62/19/493106219.db2.gz SEHXHVUZCOZAMG-SFHVURJKSA-N 2 1 372.469 0.628 10 0 FCAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2C1 ZINC000658902305 493106224 /nfs/dbraw/zinc/10/62/24/493106224.db2.gz SEHXHVUZCOZAMG-SFHVURJKSA-N 2 1 372.469 0.628 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627197239 493106480 /nfs/dbraw/zinc/10/64/80/493106480.db2.gz ZMRVWOGWJPPXOY-ZBFHGGJFSA-N 2 1 351.495 0.323 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658904048 493107595 /nfs/dbraw/zinc/10/75/95/493107595.db2.gz QLKKULCKXIIIOU-HZPDHXFCSA-N 2 1 366.506 0.033 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658904048 493107599 /nfs/dbraw/zinc/10/75/99/493107599.db2.gz QLKKULCKXIIIOU-HZPDHXFCSA-N 2 1 366.506 0.033 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658904048 493107606 /nfs/dbraw/zinc/10/76/06/493107606.db2.gz QLKKULCKXIIIOU-HZPDHXFCSA-N 2 1 366.506 0.033 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000633100461 493124975 /nfs/dbraw/zinc/12/49/75/493124975.db2.gz VNJSOBLHPIXIAQ-CABCVRRESA-N 2 1 354.495 0.020 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000633100461 493124979 /nfs/dbraw/zinc/12/49/79/493124979.db2.gz VNJSOBLHPIXIAQ-CABCVRRESA-N 2 1 354.495 0.020 10 0 FCAEMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633109285 493130850 /nfs/dbraw/zinc/13/08/50/493130850.db2.gz DWOOQXQHSLDCDP-INIZCTEOSA-N 2 1 355.527 0.058 10 0 FCAEMP CN(CCCN(C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)CC[NH+](C)C ZINC000633109285 493130852 /nfs/dbraw/zinc/13/08/52/493130852.db2.gz DWOOQXQHSLDCDP-INIZCTEOSA-N 2 1 355.527 0.058 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627292391 493136589 /nfs/dbraw/zinc/13/65/89/493136589.db2.gz UAMLVKUGKPGMJK-INIZCTEOSA-N 2 1 360.458 0.001 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071830 493138804 /nfs/dbraw/zinc/13/88/04/493138804.db2.gz TWPUTSLEXVSEKJ-KRWDZBQOSA-N 2 1 371.441 0.997 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296690 493139442 /nfs/dbraw/zinc/13/94/42/493139442.db2.gz PACXENOOVAYXDH-GJZGRUSLSA-N 2 1 352.479 0.004 10 0 FCAEMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000627297979 493140692 /nfs/dbraw/zinc/14/06/92/493140692.db2.gz YCQZQHOBNNLZDL-QZTJIDSGSA-N 2 1 374.485 0.896 10 0 FCAEMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000627297979 493140697 /nfs/dbraw/zinc/14/06/97/493140697.db2.gz YCQZQHOBNNLZDL-QZTJIDSGSA-N 2 1 374.485 0.896 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659076250 493141381 /nfs/dbraw/zinc/14/13/81/493141381.db2.gz KMPOZKMUYTUFBH-BVGQSLNGSA-N 2 1 372.469 0.885 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)N(C)CCOCC[NH3+])cc1 ZINC000627314562 493147295 /nfs/dbraw/zinc/14/72/95/493147295.db2.gz GPEOQJHEZKZHNS-CQSZACIVSA-N 2 1 373.457 0.792 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000627314931 493148251 /nfs/dbraw/zinc/14/82/51/493148251.db2.gz QMVVPHLLSBQBES-WBMJQRKESA-N 2 1 374.489 0.435 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627319031 493150161 /nfs/dbraw/zinc/15/01/61/493150161.db2.gz IHYKRFRNBYTFJT-KBXIAJHMSA-N 2 1 354.495 0.247 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627319031 493150168 /nfs/dbraw/zinc/15/01/68/493150168.db2.gz IHYKRFRNBYTFJT-KBXIAJHMSA-N 2 1 354.495 0.247 10 0 FCAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627333190 493157857 /nfs/dbraw/zinc/15/78/57/493157857.db2.gz WXZNHXGPYHAAPK-LZQZEXGQSA-N 2 1 350.507 0.681 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627336985 493159352 /nfs/dbraw/zinc/15/93/52/493159352.db2.gz PWECGDTVLULRFN-KRWDZBQOSA-N 2 1 362.474 0.119 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627342451 493163176 /nfs/dbraw/zinc/16/31/76/493163176.db2.gz GNWSUPCDKNFZBN-CWLKWCNXSA-N 2 1 358.486 0.880 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627362257 493178905 /nfs/dbraw/zinc/17/89/05/493178905.db2.gz JRCPCZOIFGTPII-IDCNUPLLSA-N 2 1 374.485 0.259 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627362257 493178911 /nfs/dbraw/zinc/17/89/11/493178911.db2.gz JRCPCZOIFGTPII-IDCNUPLLSA-N 2 1 374.485 0.259 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364496 493179863 /nfs/dbraw/zinc/17/98/63/493179863.db2.gz QDQMIYUZKKYZNO-IYBDPMFKSA-N 2 1 368.522 0.485 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)NCCOCCC[NH3+])c(N2CCCC2)[nH+]1 ZINC000627376165 493187027 /nfs/dbraw/zinc/18/70/27/493187027.db2.gz SKHUNTSPTRCJGG-UHFFFAOYSA-N 2 1 363.462 0.088 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828412 493187385 /nfs/dbraw/zinc/18/73/85/493187385.db2.gz NNAFYLIXQJKBAL-FRYIKTPZSA-N 2 1 372.513 0.516 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccc(F)cc1 ZINC000627393861 493200137 /nfs/dbraw/zinc/20/01/37/493200137.db2.gz NSHRRCUHZLKYQX-INIZCTEOSA-N 2 1 362.449 0.775 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000672731603 493241251 /nfs/dbraw/zinc/24/12/51/493241251.db2.gz JNUKCWVUUNQFHQ-ROUUACIJSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000672731603 493241254 /nfs/dbraw/zinc/24/12/54/493241254.db2.gz JNUKCWVUUNQFHQ-ROUUACIJSA-N 2 1 358.486 0.978 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977716 493244110 /nfs/dbraw/zinc/24/41/10/493244110.db2.gz HLHDURCCLKBZMA-DLBZAZTESA-N 2 1 354.495 0.386 10 0 FCAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659682005 493248880 /nfs/dbraw/zinc/24/88/80/493248880.db2.gz DNIUVLKAPGPJJE-VWZCOVNWSA-N 2 1 356.470 0.806 10 0 FCAEMP C[C@@H](CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@@H+](C)Cc1ccccc1 ZINC000659689380 493254089 /nfs/dbraw/zinc/25/40/89/493254089.db2.gz CBWIPQDCJUYICR-FVWXCPNNSA-N 2 1 358.486 0.963 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659689413 493254230 /nfs/dbraw/zinc/25/42/30/493254230.db2.gz CMZHEJWMALEJBX-GNZRSQJKSA-N 2 1 356.470 0.717 10 0 FCAEMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+]2CCCC2)o1 ZINC000659700077 493261434 /nfs/dbraw/zinc/26/14/34/493261434.db2.gz ZXGCKCWCFYEUBU-RBSFLKMASA-N 2 1 366.437 0.739 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659702006 493262562 /nfs/dbraw/zinc/26/25/62/493262562.db2.gz KPKBWXDQFFCYCL-RCCFBDPRSA-N 2 1 362.518 0.968 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000659706024 493264359 /nfs/dbraw/zinc/26/43/59/493264359.db2.gz CSDQFSUORKWJHH-XLNGHYISSA-N 2 1 362.449 0.663 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659708266 493266257 /nfs/dbraw/zinc/26/62/57/493266257.db2.gz OKHSUBLSGUAYNY-NCYVPVAZSA-N 2 1 370.497 0.881 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735303 493278690 /nfs/dbraw/zinc/27/86/90/493278690.db2.gz ZBFOVQWUCSSLCQ-INIZCTEOSA-N 2 1 365.522 0.003 10 0 FCAEMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659741240 493281123 /nfs/dbraw/zinc/28/11/23/493281123.db2.gz SFRBGPHWVCMBPN-UISNHOIMSA-N 2 1 368.481 0.588 10 0 FCAEMP CN(C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000682232728 493281591 /nfs/dbraw/zinc/28/15/91/493281591.db2.gz LKWCGEAWRMOMAN-MRXNPFEDSA-N 2 1 354.414 0.901 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000673096108 493289873 /nfs/dbraw/zinc/28/98/73/493289873.db2.gz MJCWARQTADFHTJ-QGZVFWFLSA-N 2 1 358.486 0.412 10 0 FCAEMP C[C@@H]1CN(CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000660070802 493321278 /nfs/dbraw/zinc/32/12/78/493321278.db2.gz DOXIVFOTBHPMIP-HDICACEKSA-N 2 1 366.550 0.972 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2N)C1 ZINC000668330155 493331738 /nfs/dbraw/zinc/33/17/38/493331738.db2.gz MMZUOLGNYMKOEK-GASCZTMLSA-N 2 1 373.501 0.917 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2N)C1 ZINC000668330155 493331740 /nfs/dbraw/zinc/33/17/40/493331740.db2.gz MMZUOLGNYMKOEK-GASCZTMLSA-N 2 1 373.501 0.917 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2N)C1 ZINC000668330155 493331741 /nfs/dbraw/zinc/33/17/41/493331741.db2.gz MMZUOLGNYMKOEK-GASCZTMLSA-N 2 1 373.501 0.917 10 0 FCAEMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCSC1 ZINC000668527461 493371017 /nfs/dbraw/zinc/37/10/17/493371017.db2.gz WFPKJOHWYOZAJB-CXAGYDPISA-N 2 1 356.536 0.529 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660700458 493373010 /nfs/dbraw/zinc/37/30/10/493373010.db2.gz KQNIGKJEKPVMOP-SJORKVTESA-N 2 1 354.495 0.650 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000668585184 493380382 /nfs/dbraw/zinc/38/03/82/493380382.db2.gz JBXHRIGGTZBWJX-ZACQAIPSSA-N 2 1 366.506 0.299 10 0 FCAEMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1=O ZINC000660913628 493393141 /nfs/dbraw/zinc/39/31/41/493393141.db2.gz PKMBQTWBRJGNOA-INIZCTEOSA-N 2 1 352.523 0.977 10 0 FCAEMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1=O ZINC000660913628 493393145 /nfs/dbraw/zinc/39/31/45/493393145.db2.gz PKMBQTWBRJGNOA-INIZCTEOSA-N 2 1 352.523 0.977 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668787465 493410265 /nfs/dbraw/zinc/41/02/65/493410265.db2.gz AFRQWRJDNRZJHA-INIZCTEOSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668787466 493410592 /nfs/dbraw/zinc/41/05/92/493410592.db2.gz AFRQWRJDNRZJHA-MRXNPFEDSA-N 2 1 354.495 0.156 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000668786869 493410676 /nfs/dbraw/zinc/41/06/76/493410676.db2.gz JFUPNCIDEXUDCF-LSDHHAIUSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000668786869 493410680 /nfs/dbraw/zinc/41/06/80/493410680.db2.gz JFUPNCIDEXUDCF-LSDHHAIUSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000668786869 493410683 /nfs/dbraw/zinc/41/06/83/493410683.db2.gz JFUPNCIDEXUDCF-LSDHHAIUSA-N 2 1 354.495 0.202 10 0 FCAEMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758368 493444909 /nfs/dbraw/zinc/44/49/09/493444909.db2.gz KPSBVSXOWIQKAM-IAGOWNOFSA-N 2 1 358.552 0.370 10 0 FCAEMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758368 493444910 /nfs/dbraw/zinc/44/49/10/493444910.db2.gz KPSBVSXOWIQKAM-IAGOWNOFSA-N 2 1 358.552 0.370 10 0 FCAEMP CCN(C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000669178512 493473754 /nfs/dbraw/zinc/47/37/54/493473754.db2.gz FFKLNLOWIXLMRP-GOSISDBHSA-N 2 1 373.501 0.967 10 0 FCAEMP C[C@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CN(C)CCO1 ZINC000685336473 493477232 /nfs/dbraw/zinc/47/72/32/493477232.db2.gz AXVHNNYUPFPHDA-FZKCQIBNSA-N 2 1 354.495 0.201 10 0 FCAEMP C[C@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685336473 493477239 /nfs/dbraw/zinc/47/72/39/493477239.db2.gz AXVHNNYUPFPHDA-FZKCQIBNSA-N 2 1 354.495 0.201 10 0 FCAEMP C[C@H](NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685336473 493477241 /nfs/dbraw/zinc/47/72/41/493477241.db2.gz AXVHNNYUPFPHDA-FZKCQIBNSA-N 2 1 354.495 0.201 10 0 FCAEMP C[C@H](NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336473 493477245 /nfs/dbraw/zinc/47/72/45/493477245.db2.gz AXVHNNYUPFPHDA-FZKCQIBNSA-N 2 1 354.495 0.201 10 0 FCAEMP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662012458 493484627 /nfs/dbraw/zinc/48/46/27/493484627.db2.gz HXHKFLNHSAWXSN-INIZCTEOSA-N 2 1 351.495 0.417 10 0 FCAEMP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662012458 493484628 /nfs/dbraw/zinc/48/46/28/493484628.db2.gz HXHKFLNHSAWXSN-INIZCTEOSA-N 2 1 351.495 0.417 10 0 FCAEMP O=c1[nH]c(CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)nc2ccccc21 ZINC000662261215 493500457 /nfs/dbraw/zinc/50/04/57/493500457.db2.gz UXUVHWSKYGFQJN-OAHLLOKOSA-N 2 1 369.469 0.974 10 0 FCAEMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC2CC1(C[NH3+])C2 ZINC000662304383 493505613 /nfs/dbraw/zinc/50/56/13/493505613.db2.gz PZVWLEBBLGWSOR-YQHFOJDRSA-N 2 1 372.513 0.947 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089880 493522600 /nfs/dbraw/zinc/52/26/00/493522600.db2.gz OHDJWIUDHCSHKN-ZDUSSCGKSA-N 2 1 354.414 0.806 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)CC1 ZINC000662722218 493534688 /nfs/dbraw/zinc/53/46/88/493534688.db2.gz KSHSSEWEFUCQHE-KRWDZBQOSA-N 2 1 350.507 0.777 10 0 FCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662755510 493539210 /nfs/dbraw/zinc/53/92/10/493539210.db2.gz CNFNIUFZEOGCQL-UHFFFAOYSA-N 2 1 358.490 0.780 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1F ZINC000662940924 493557280 /nfs/dbraw/zinc/55/72/80/493557280.db2.gz LEOLBUAGNGHHAG-XMTFNYHQSA-N 2 1 374.460 0.475 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662963838 493562077 /nfs/dbraw/zinc/56/20/77/493562077.db2.gz YQNYCCRWPSGUTD-SJORKVTESA-N 2 1 350.507 0.777 10 0 FCAEMP O=C([C@H]1CSC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013533 493566222 /nfs/dbraw/zinc/56/62/22/493566222.db2.gz DCVGBFBMHAUMJM-GXTWGEPZSA-N 2 1 350.492 0.188 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[N@H+]1C ZINC000663016124 493566567 /nfs/dbraw/zinc/56/65/67/493566567.db2.gz AAZYLADZWPJTQY-OWCLPIDISA-N 2 1 360.506 0.866 10 0 FCAEMP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000670622797 493581073 /nfs/dbraw/zinc/58/10/73/493581073.db2.gz MTZOLMNWVAUTKP-WBVHZDCISA-N 2 1 362.474 0.625 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578985 493609352 /nfs/dbraw/zinc/60/93/52/493609352.db2.gz OAEGXQVTKMFJBP-HRCADAONSA-N 2 1 371.526 0.097 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578985 493609354 /nfs/dbraw/zinc/60/93/54/493609354.db2.gz OAEGXQVTKMFJBP-HRCADAONSA-N 2 1 371.526 0.097 10 0 FCAEMP CCN(C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000663914904 493625110 /nfs/dbraw/zinc/62/51/10/493625110.db2.gz BONIKSLPBDIUIU-CVEARBPZSA-N 2 1 353.511 0.665 10 0 FCAEMP CCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH+](C)C1 ZINC000663914904 493625113 /nfs/dbraw/zinc/62/51/13/493625113.db2.gz BONIKSLPBDIUIU-CVEARBPZSA-N 2 1 353.511 0.665 10 0 FCAEMP CCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH+](C)C1 ZINC000663914904 493625114 /nfs/dbraw/zinc/62/51/14/493625114.db2.gz BONIKSLPBDIUIU-CVEARBPZSA-N 2 1 353.511 0.665 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000663937819 493626916 /nfs/dbraw/zinc/62/69/16/493626916.db2.gz SAZZLDOLBATFPG-SFHVURJKSA-N 2 1 364.490 0.631 10 0 FCAEMP COCC[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000663937819 493626918 /nfs/dbraw/zinc/62/69/18/493626918.db2.gz SAZZLDOLBATFPG-SFHVURJKSA-N 2 1 364.490 0.631 10 0 FCAEMP COCC[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000663937819 493626920 /nfs/dbraw/zinc/62/69/20/493626920.db2.gz SAZZLDOLBATFPG-SFHVURJKSA-N 2 1 364.490 0.631 10 0 FCAEMP COCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663937631 493627006 /nfs/dbraw/zinc/62/70/06/493627006.db2.gz MRYJLKPAWSAWMW-HZPDHXFCSA-N 2 1 354.495 0.507 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663937631 493627008 /nfs/dbraw/zinc/62/70/08/493627008.db2.gz MRYJLKPAWSAWMW-HZPDHXFCSA-N 2 1 354.495 0.507 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671099271 493632831 /nfs/dbraw/zinc/63/28/31/493632831.db2.gz BALIOHGVLNAQIX-IAGOWNOFSA-N 2 1 350.507 0.968 10 0 FCAEMP CCN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664143268 493640140 /nfs/dbraw/zinc/64/01/40/493640140.db2.gz PWIYFWIDJQGJFK-MSOLQXFVSA-N 2 1 367.538 0.519 10 0 FCAEMP CCN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](CC)C1 ZINC000664143268 493640143 /nfs/dbraw/zinc/64/01/43/493640143.db2.gz PWIYFWIDJQGJFK-MSOLQXFVSA-N 2 1 367.538 0.519 10 0 FCAEMP CCN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](CC)C1 ZINC000664143268 493640145 /nfs/dbraw/zinc/64/01/45/493640145.db2.gz PWIYFWIDJQGJFK-MSOLQXFVSA-N 2 1 367.538 0.519 10 0 FCAEMP CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000664437607 493659667 /nfs/dbraw/zinc/65/96/67/493659667.db2.gz HVNLCKUPSSOMRS-GJZGRUSLSA-N 2 1 356.515 0.361 10 0 FCAEMP CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664437607 493659670 /nfs/dbraw/zinc/65/96/70/493659670.db2.gz HVNLCKUPSSOMRS-GJZGRUSLSA-N 2 1 356.515 0.361 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555940 493722915 /nfs/dbraw/zinc/72/29/15/493722915.db2.gz NTBXTYJAKGGBLD-OAHLLOKOSA-N 2 1 353.511 0.665 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555940 493722916 /nfs/dbraw/zinc/72/29/16/493722916.db2.gz NTBXTYJAKGGBLD-OAHLLOKOSA-N 2 1 353.511 0.665 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000665639119 493728645 /nfs/dbraw/zinc/72/86/45/493728645.db2.gz MTUWEAOKUPFHAX-LSDHHAIUSA-N 2 1 356.515 0.348 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000665639119 493728647 /nfs/dbraw/zinc/72/86/47/493728647.db2.gz MTUWEAOKUPFHAX-LSDHHAIUSA-N 2 1 356.515 0.348 10 0 FCAEMP CNC(=O)Cn1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000665639246 493728895 /nfs/dbraw/zinc/72/88/95/493728895.db2.gz RQMAKRJXKYTLSX-ZDUSSCGKSA-N 2 1 353.471 0.023 10 0 FCAEMP CNC(=O)Cn1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000665639246 493728896 /nfs/dbraw/zinc/72/88/96/493728896.db2.gz RQMAKRJXKYTLSX-ZDUSSCGKSA-N 2 1 353.471 0.023 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000665760605 493733689 /nfs/dbraw/zinc/73/36/89/493733689.db2.gz LKZRWSVXVVRDER-DLBZAZTESA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000665760605 493733691 /nfs/dbraw/zinc/73/36/91/493733691.db2.gz LKZRWSVXVVRDER-DLBZAZTESA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000665762607 493735727 /nfs/dbraw/zinc/73/57/27/493735727.db2.gz KCAPEXHPPFGVFM-FUHWJXTLSA-N 2 1 356.511 0.849 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000665762607 493735729 /nfs/dbraw/zinc/73/57/29/493735729.db2.gz KCAPEXHPPFGVFM-FUHWJXTLSA-N 2 1 356.511 0.849 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000672309889 493754178 /nfs/dbraw/zinc/75/41/78/493754178.db2.gz ZMQUNXPTIVHRFP-UAGQMJEPSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000672309889 493754180 /nfs/dbraw/zinc/75/41/80/493754180.db2.gz ZMQUNXPTIVHRFP-UAGQMJEPSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000672309889 493754183 /nfs/dbraw/zinc/75/41/83/493754183.db2.gz ZMQUNXPTIVHRFP-UAGQMJEPSA-N 2 1 350.507 0.776 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413204285 528183485 /nfs/dbraw/zinc/18/34/85/528183485.db2.gz OROFRVKYSDOLCJ-MRXNPFEDSA-N 2 1 354.495 0.855 10 0 FCAEMP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419556387 535462875 /nfs/dbraw/zinc/46/28/75/535462875.db2.gz IWOGUEPOBZABFZ-DZGCQCFKSA-N 2 1 352.504 0.973 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)ccn2)CC1 ZINC000452795451 536418747 /nfs/dbraw/zinc/41/87/47/536418747.db2.gz IYLBDAZQZSBABC-QGZVFWFLSA-N 2 1 361.490 0.410 10 0 FCAEMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000125712740 546541396 /nfs/dbraw/zinc/54/13/96/546541396.db2.gz XBTKURPIOHJTFD-UHFFFAOYSA-N 2 1 350.467 0.183 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000132575871 546571542 /nfs/dbraw/zinc/57/15/42/546571542.db2.gz OKCBKAKAUZVDLK-HNNXBMFYSA-N 2 1 350.467 0.631 10 0 FCAEMP COCC[NH2+]CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000418506580 546906934 /nfs/dbraw/zinc/90/69/34/546906934.db2.gz IVDDLFUOEVZBEG-SJPCQFCGSA-N 2 1 353.511 0.175 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1C ZINC000551215663 547135476 /nfs/dbraw/zinc/13/54/76/547135476.db2.gz OIINJCCAEDLTAJ-CKEIUWERSA-N 2 1 356.536 0.481 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000551472614 547147239 /nfs/dbraw/zinc/14/72/39/547147239.db2.gz WKPTWBYVPJENKX-JKSUJKDBSA-N 2 1 354.495 0.062 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)[C@@H](C)C1 ZINC000553735703 547304207 /nfs/dbraw/zinc/30/42/07/547304207.db2.gz ZQLLAQKSPDZNDO-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)[C@@H](C)C1 ZINC000553735703 547304211 /nfs/dbraw/zinc/30/42/11/547304211.db2.gz ZQLLAQKSPDZNDO-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)[C@@H](C)C1 ZINC000553735703 547304214 /nfs/dbraw/zinc/30/42/14/547304214.db2.gz ZQLLAQKSPDZNDO-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896795846 665106180 /nfs/dbraw/zinc/10/61/80/665106180.db2.gz DZZSDSMSAJXYJM-CQSZACIVSA-N 2 1 353.463 0.193 10 0 FCAEMP CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905362890 666021640 /nfs/dbraw/zinc/02/16/40/666021640.db2.gz YFGGNRQQXXDSCL-UHFFFAOYSA-N 2 1 359.536 0.893 10 0 FCAEMP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000913427173 666525975 /nfs/dbraw/zinc/52/59/75/666525975.db2.gz DHJFYEKFSOJDET-KRWDZBQOSA-N 2 1 354.539 0.754 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000913427173 666525980 /nfs/dbraw/zinc/52/59/80/666525980.db2.gz DHJFYEKFSOJDET-KRWDZBQOSA-N 2 1 354.539 0.754 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000913427173 666525983 /nfs/dbraw/zinc/52/59/83/666525983.db2.gz DHJFYEKFSOJDET-KRWDZBQOSA-N 2 1 354.539 0.754 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000940512825 666553898 /nfs/dbraw/zinc/55/38/98/666553898.db2.gz LLYKLTUONSFXMU-BBWFWOEESA-N 2 1 350.507 0.872 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000940512825 666553901 /nfs/dbraw/zinc/55/39/01/666553901.db2.gz LLYKLTUONSFXMU-BBWFWOEESA-N 2 1 350.507 0.872 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000940512825 666553904 /nfs/dbraw/zinc/55/39/04/666553904.db2.gz LLYKLTUONSFXMU-BBWFWOEESA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+](C)C1CCN(CCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000914224190 666727460 /nfs/dbraw/zinc/72/74/60/666727460.db2.gz CSZQITIXOHXRJT-KRWDZBQOSA-N 2 1 358.552 0.418 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCN3CCOC3=O)CC2)CC1 ZINC000731846624 666841682 /nfs/dbraw/zinc/84/16/82/666841682.db2.gz KSFJRQAMEOCBME-UHFFFAOYSA-N 2 1 352.479 0.705 10 0 FCAEMP CC[S@](=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000735097084 667005545 /nfs/dbraw/zinc/00/55/45/667005545.db2.gz XFWGQPQGGVWKJL-VWLOTQADSA-N 2 1 367.519 0.662 10 0 FCAEMP CCO[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+](C)C ZINC000918906412 667140419 /nfs/dbraw/zinc/14/04/19/667140419.db2.gz OBZKDYWOCYSDPW-RDJZCZTQSA-N 2 1 355.527 0.421 10 0 FCAEMP CCO[C@@H](CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+](C)C ZINC000918906412 667140420 /nfs/dbraw/zinc/14/04/20/667140420.db2.gz OBZKDYWOCYSDPW-RDJZCZTQSA-N 2 1 355.527 0.421 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+](C)CC1(O)CCCC1)[NH+](C)CC1(O)CCCC1 ZINC000930081122 667181306 /nfs/dbraw/zinc/18/13/06/667181306.db2.gz GIMKOUWQVGZAKM-MRXNPFEDSA-N 2 1 355.523 0.965 10 0 FCAEMP C[C@H](CNC(=O)C[NH+](C)CC1(O)CCCC1)[N@H+](C)CC1(O)CCCC1 ZINC000930081122 667181307 /nfs/dbraw/zinc/18/13/07/667181307.db2.gz GIMKOUWQVGZAKM-MRXNPFEDSA-N 2 1 355.523 0.965 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000924025809 667221950 /nfs/dbraw/zinc/22/19/50/667221950.db2.gz QRYQMWPQZGDHSX-BRWVUGGUSA-N 2 1 353.511 0.175 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000924025809 667221952 /nfs/dbraw/zinc/22/19/52/667221952.db2.gz QRYQMWPQZGDHSX-BRWVUGGUSA-N 2 1 353.511 0.175 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000924025809 667221957 /nfs/dbraw/zinc/22/19/57/667221957.db2.gz QRYQMWPQZGDHSX-BRWVUGGUSA-N 2 1 353.511 0.175 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCN4CCSC[C@H]34)cn2)CC1 ZINC000922522147 667662193 /nfs/dbraw/zinc/66/21/93/667662193.db2.gz BMPMZIMOXKMXTR-DLBZAZTESA-N 2 1 362.547 0.898 10 0 FCAEMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000923490146 667840872 /nfs/dbraw/zinc/84/08/72/667840872.db2.gz SKAHFIUTALIHOP-CQSZACIVSA-N 2 1 350.488 0.703 10 0 FCAEMP CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)CC1 ZINC000923590151 667853375 /nfs/dbraw/zinc/85/33/75/667853375.db2.gz YXQNBMLUTAPAOI-UHFFFAOYSA-N 2 1 352.504 0.215 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000775817928 668232756 /nfs/dbraw/zinc/23/27/56/668232756.db2.gz VSYXRDJHNNMUNH-OWCLPIDISA-N 2 1 354.495 0.996 10 0 FCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000787765016 668809130 /nfs/dbraw/zinc/80/91/30/668809130.db2.gz QOIWKIJXLDJXFD-PMPSAXMXSA-N 2 1 357.495 0.913 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000810319654 669671417 /nfs/dbraw/zinc/67/14/17/669671417.db2.gz JUJBKNHDCURKQS-KDOFPFPSSA-N 2 1 356.486 0.903 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000810319654 669671420 /nfs/dbraw/zinc/67/14/20/669671420.db2.gz JUJBKNHDCURKQS-KDOFPFPSSA-N 2 1 356.486 0.903 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000810319654 669671423 /nfs/dbraw/zinc/67/14/23/669671423.db2.gz JUJBKNHDCURKQS-KDOFPFPSSA-N 2 1 356.486 0.903 10 0 FCAEMP CC1(C(N)=O)CN(Cc2cc(Cl)cc(C[NH+]3CC(C)(C(N)=O)C3)c2)C1 ZINC000829075203 669683179 /nfs/dbraw/zinc/68/31/79/669683179.db2.gz JCJCWGUANNBUHX-UHFFFAOYSA-N 2 1 364.877 0.954 10 0 FCAEMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH3+])cc2Cl)CC1 ZINC000841147403 670537083 /nfs/dbraw/zinc/53/70/83/670537083.db2.gz FSNOPMAZAZUUNG-UHFFFAOYSA-N 2 1 353.854 0.495 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CC1 ZINC000844170820 670903923 /nfs/dbraw/zinc/90/39/23/670903923.db2.gz QTKINWLOTUVIGH-CQSZACIVSA-N 2 1 367.881 0.760 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554860 671352705 /nfs/dbraw/zinc/35/27/05/671352705.db2.gz ONLAVYAGQUJBSY-DLBZAZTESA-N 2 1 351.495 0.540 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554860 671352709 /nfs/dbraw/zinc/35/27/09/671352709.db2.gz ONLAVYAGQUJBSY-DLBZAZTESA-N 2 1 351.495 0.540 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554860 671352713 /nfs/dbraw/zinc/35/27/13/671352713.db2.gz ONLAVYAGQUJBSY-DLBZAZTESA-N 2 1 351.495 0.540 10 0 FCAEMP C[NH+]1CCN([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000852871922 671528474 /nfs/dbraw/zinc/52/84/74/671528474.db2.gz FGXLKOQLEAXRHN-JSGCOSHPSA-N 2 1 351.476 0.256 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)NCc1cccs1)C2 ZINC000903492061 675933338 /nfs/dbraw/zinc/93/33/38/675933338.db2.gz IXNREXHLSYNSKB-JRATXPSKSA-N 2 1 351.472 0.965 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH3+] ZINC000903496353 675933673 /nfs/dbraw/zinc/93/36/73/675933673.db2.gz LGMNBMCMUSBMOB-BFYDXBDKSA-N 2 1 371.547 0.861 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1CC[NH3+] ZINC000903496353 675933674 /nfs/dbraw/zinc/93/36/74/675933674.db2.gz LGMNBMCMUSBMOB-BFYDXBDKSA-N 2 1 371.547 0.861 10 0 FCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903754811 675967999 /nfs/dbraw/zinc/96/79/99/675967999.db2.gz QRYBGOXNUJAXOO-YNEHKIRRSA-N 2 1 364.412 0.525 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903776176 675972103 /nfs/dbraw/zinc/97/21/03/675972103.db2.gz NUYCAOXDAASGHL-QJPTWQEYSA-N 2 1 350.385 0.277 10 0 FCAEMP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549654 672136008 /nfs/dbraw/zinc/13/60/08/672136008.db2.gz HVELTILJLTZRLE-IMJJTQAJSA-N 2 1 352.479 0.794 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912305 675981865 /nfs/dbraw/zinc/98/18/65/675981865.db2.gz CUDIJIDCTMDQLJ-NVXWUHKLSA-N 2 1 369.535 0.346 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912305 675981867 /nfs/dbraw/zinc/98/18/67/675981867.db2.gz CUDIJIDCTMDQLJ-NVXWUHKLSA-N 2 1 369.535 0.346 10 0 FCAEMP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)NC1CCCCC1 ZINC000863551709 672136918 /nfs/dbraw/zinc/13/69/18/672136918.db2.gz PVVUHYLTUHIRTQ-CVEARBPZSA-N 2 1 350.463 0.692 10 0 FCAEMP FC(F)(F)[C@@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918549 675982426 /nfs/dbraw/zinc/98/24/26/675982426.db2.gz BDPMGOLQZOCFKL-TZMCWYRMSA-N 2 1 361.416 0.128 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920931 675982938 /nfs/dbraw/zinc/98/29/38/675982938.db2.gz YARBLCOOEFFIHI-DZGCQCFKSA-N 3 1 362.444 0.272 10 0 FCAEMP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706489 672289875 /nfs/dbraw/zinc/28/98/75/672289875.db2.gz AWKIQYSIPWQIOM-QXSJWSMHSA-N 2 1 350.463 0.500 10 0 FCAEMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706489 672289879 /nfs/dbraw/zinc/28/98/79/672289879.db2.gz AWKIQYSIPWQIOM-QXSJWSMHSA-N 2 1 350.463 0.500 10 0 FCAEMP CN(C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866706391 672289929 /nfs/dbraw/zinc/28/99/29/672289929.db2.gz BKAWYGYMSYDHMR-XHSDSOJGSA-N 2 1 350.463 0.644 10 0 FCAEMP CN(C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866706391 672289932 /nfs/dbraw/zinc/28/99/32/672289932.db2.gz BKAWYGYMSYDHMR-XHSDSOJGSA-N 2 1 350.463 0.644 10 0 FCAEMP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710496 672290845 /nfs/dbraw/zinc/29/08/45/672290845.db2.gz 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350.507 0.873 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867808760 672370138 /nfs/dbraw/zinc/37/01/38/672370138.db2.gz OOUOJXYIKXXYMM-HOTGVXAUSA-N 2 1 369.535 0.776 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868358232 672395654 /nfs/dbraw/zinc/39/56/54/672395654.db2.gz FAUYYWAULQSBSV-KZNAEPCWSA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868358232 672395657 /nfs/dbraw/zinc/39/56/57/672395657.db2.gz FAUYYWAULQSBSV-KZNAEPCWSA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868358232 672395661 /nfs/dbraw/zinc/39/56/61/672395661.db2.gz FAUYYWAULQSBSV-KZNAEPCWSA-N 2 1 351.539 0.996 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)CC[C@@H]21 ZINC000868409319 672399206 /nfs/dbraw/zinc/39/92/06/672399206.db2.gz BNHWTHNPDJOURI-ZRGWGRIASA-N 2 1 350.507 0.763 10 0 FCAEMP 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/nfs/dbraw/zinc/96/44/40/673964440.db2.gz XDULJBCFWFQCCI-KLHDSHLOSA-N 2 1 366.531 0.425 10 0 FCAEMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929628961 673968778 /nfs/dbraw/zinc/96/87/78/673968778.db2.gz WFFDRCNYBQTMHI-KKUMJFAQSA-N 2 1 356.536 0.529 10 0 FCAEMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929628961 673968780 /nfs/dbraw/zinc/96/87/80/673968780.db2.gz WFFDRCNYBQTMHI-KKUMJFAQSA-N 2 1 356.536 0.529 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000929745360 673974546 /nfs/dbraw/zinc/97/45/46/673974546.db2.gz OIOZKSFOLDYZLH-SNPRPXQTSA-N 2 1 352.504 0.035 10 0 FCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929929201 673985772 /nfs/dbraw/zinc/98/57/72/673985772.db2.gz JMTBLFSOLOCLOD-HOCLYGCPSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929929201 673985774 /nfs/dbraw/zinc/98/57/74/673985774.db2.gz JMTBLFSOLOCLOD-HOCLYGCPSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929929201 673985775 /nfs/dbraw/zinc/98/57/75/673985775.db2.gz JMTBLFSOLOCLOD-HOCLYGCPSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12)[N@@H+](C)C1CC1 ZINC000929961695 673988343 /nfs/dbraw/zinc/98/83/43/673988343.db2.gz YGAPSSDPXCIXOH-SNPRPXQTSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+](C)C1CC1 ZINC000929961695 673988345 /nfs/dbraw/zinc/98/83/45/673988345.db2.gz YGAPSSDPXCIXOH-SNPRPXQTSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[NH+](C)C1CC1 ZINC000929961695 673988346 /nfs/dbraw/zinc/98/83/46/673988346.db2.gz YGAPSSDPXCIXOH-SNPRPXQTSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)[N@H+](C)C1CC1 ZINC000929961695 673988347 /nfs/dbraw/zinc/98/83/47/673988347.db2.gz YGAPSSDPXCIXOH-SNPRPXQTSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)[N@@H+](C)C1CC1 ZINC000929961695 673988349 /nfs/dbraw/zinc/98/83/49/673988349.db2.gz YGAPSSDPXCIXOH-SNPRPXQTSA-N 2 1 354.520 0.281 10 0 FCAEMP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CCCC1 ZINC000929996986 673991261 /nfs/dbraw/zinc/99/12/61/673991261.db2.gz URYAJIRTPPAPGX-HZPDHXFCSA-N 2 1 368.547 0.673 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CCCC1 ZINC000929996986 673991262 /nfs/dbraw/zinc/99/12/62/673991262.db2.gz URYAJIRTPPAPGX-HZPDHXFCSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1CCCC1 ZINC000929996986 673991263 /nfs/dbraw/zinc/99/12/63/673991263.db2.gz URYAJIRTPPAPGX-HZPDHXFCSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1CCCC1 ZINC000929996986 673991264 /nfs/dbraw/zinc/99/12/64/673991264.db2.gz URYAJIRTPPAPGX-HZPDHXFCSA-N 2 1 368.547 0.673 10 0 FCAEMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)CC1 ZINC000901146083 675763879 /nfs/dbraw/zinc/76/38/79/675763879.db2.gz PPQKLNREHKNEEZ-IEBWSBKVSA-N 2 1 352.523 0.459 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CC[NH+]1CCOCC1 ZINC001746158632 1192243929 /nfs/dbraw/zinc/24/39/29/1192243929.db2.gz ODFPLBKTBWCPPZ-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CC[NH+]1CCOCC1 ZINC001746158632 1192243936 /nfs/dbraw/zinc/24/39/36/1192243936.db2.gz ODFPLBKTBWCPPZ-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CNC(=O)[C@H](C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001267096457 1171752382 /nfs/dbraw/zinc/75/23/82/1171752382.db2.gz PVTOCXFZLZZYJE-HDMKZQKVSA-N 2 1 360.502 0.910 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1C ZINC001272168898 1192685475 /nfs/dbraw/zinc/68/54/75/1192685475.db2.gz MUWZRJZJPGQBGL-NVXWUHKLSA-N 2 1 365.522 0.889 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[N@H+]1C ZINC000897713705 1192843233 /nfs/dbraw/zinc/84/32/33/1192843233.db2.gz KYRAXVRJLPTXGT-PMPSAXMXSA-N 2 1 359.474 0.718 10 0 FCAEMP CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000897919674 1192851367 /nfs/dbraw/zinc/85/13/67/1192851367.db2.gz POIHCZAGOXSPMA-ZWKOTPCHSA-N 2 1 374.485 0.080 10 0 FCAEMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000897919674 1192851368 /nfs/dbraw/zinc/85/13/68/1192851368.db2.gz POIHCZAGOXSPMA-ZWKOTPCHSA-N 2 1 374.485 0.080 10 0 FCAEMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000897919674 1192851372 /nfs/dbraw/zinc/85/13/72/1192851372.db2.gz POIHCZAGOXSPMA-ZWKOTPCHSA-N 2 1 374.485 0.080 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000897919674 1192851373 /nfs/dbraw/zinc/85/13/73/1192851373.db2.gz POIHCZAGOXSPMA-ZWKOTPCHSA-N 2 1 374.485 0.080 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000897919674 1192851374 /nfs/dbraw/zinc/85/13/74/1192851374.db2.gz POIHCZAGOXSPMA-ZWKOTPCHSA-N 2 1 374.485 0.080 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000897939559 1192852162 /nfs/dbraw/zinc/85/21/62/1192852162.db2.gz MUGNUAUVCCJKEZ-BRWVUGGUSA-N 2 1 366.506 0.081 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000897939559 1192852163 /nfs/dbraw/zinc/85/21/63/1192852163.db2.gz MUGNUAUVCCJKEZ-BRWVUGGUSA-N 2 1 366.506 0.081 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000898127688 1192858861 /nfs/dbraw/zinc/85/88/61/1192858861.db2.gz IITJEMJLSJFCDB-HZPDHXFCSA-N 2 1 359.474 0.719 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001719686163 1179375342 /nfs/dbraw/zinc/37/53/42/1179375342.db2.gz NODFRYZWJZCCHK-JTDSTZFVSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001719686163 1179375347 /nfs/dbraw/zinc/37/53/47/1179375347.db2.gz NODFRYZWJZCCHK-JTDSTZFVSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001719686163 1179375359 /nfs/dbraw/zinc/37/53/59/1179375359.db2.gz NODFRYZWJZCCHK-JTDSTZFVSA-N 2 1 350.507 0.585 10 0 FCAEMP CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC(=O)N1CCOCC1 ZINC001267314598 1179747528 /nfs/dbraw/zinc/74/75/28/1179747528.db2.gz RQVOZQZCORTTEU-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC(=O)N1CCOCC1 ZINC001267314598 1179747541 /nfs/dbraw/zinc/74/75/41/1179747541.db2.gz RQVOZQZCORTTEU-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC(=O)N1CCOCC1 ZINC001267314598 1179747549 /nfs/dbraw/zinc/74/75/49/1179747549.db2.gz RQVOZQZCORTTEU-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC(=O)N1CCOCC1 ZINC001267314598 1179747560 /nfs/dbraw/zinc/74/75/60/1179747560.db2.gz RQVOZQZCORTTEU-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC(=O)N1CCOCC1 ZINC001267314598 1179747568 /nfs/dbraw/zinc/74/75/68/1179747568.db2.gz RQVOZQZCORTTEU-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001719723002 1179782655 /nfs/dbraw/zinc/78/26/55/1179782655.db2.gz IIFDLAYPJZUDLP-GDBMZVCRSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001719723002 1179782662 /nfs/dbraw/zinc/78/26/62/1179782662.db2.gz IIFDLAYPJZUDLP-GDBMZVCRSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001719727904 1179808535 /nfs/dbraw/zinc/80/85/35/1179808535.db2.gz GOJVHVPTIMEJHO-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(C)[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000080151534 1180422590 /nfs/dbraw/zinc/42/25/90/1180422590.db2.gz CTBUMBYQKDNCQM-QGZVFWFLSA-N 2 1 365.526 0.838 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000447821232 1187512519 /nfs/dbraw/zinc/51/25/19/1187512519.db2.gz KGTAKMIADMEDCW-UHFFFAOYSA-N 2 1 372.469 0.815 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)N2CCC2)C2CC2)CC[N@H+]1C ZINC001481930215 1187552057 /nfs/dbraw/zinc/55/20/57/1187552057.db2.gz FSUIVOPUNJJVRJ-FCEWJHQRSA-N 2 1 350.507 0.824 10 0 FCAEMP CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268645783 1187748575 /nfs/dbraw/zinc/74/85/75/1187748575.db2.gz WIBXBIWAJPVHBC-RBSFLKMASA-N 2 1 364.494 0.837 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001482283883 1188126418 /nfs/dbraw/zinc/12/64/18/1188126418.db2.gz QYLNGBYQJBSMME-IACUBPJLSA-N 2 1 351.451 0.698 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001482287578 1188139712 /nfs/dbraw/zinc/13/97/12/1188139712.db2.gz CSLHDQIKMBJSNS-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001270518842 1188183460 /nfs/dbraw/zinc/18/34/60/1188183460.db2.gz DEOMAYBZQRSJRJ-GUDVDZBRSA-N 2 1 366.550 0.972 10 0 FCAEMP CCOCCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001270518842 1188183464 /nfs/dbraw/zinc/18/34/64/1188183464.db2.gz DEOMAYBZQRSJRJ-GUDVDZBRSA-N 2 1 366.550 0.972 10 0 FCAEMP CCOCCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001270518842 1188183470 /nfs/dbraw/zinc/18/34/70/1188183470.db2.gz DEOMAYBZQRSJRJ-GUDVDZBRSA-N 2 1 366.550 0.972 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ccn(C)n3)CCOCC2)CC[N@H+]1C ZINC001271038716 1189523711 /nfs/dbraw/zinc/52/37/11/1189523711.db2.gz RSBGVEIPRGDGRT-DLBZAZTESA-N 2 1 363.506 0.905 10 0 FCAEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1ccco1 ZINC001482533220 1190724360 /nfs/dbraw/zinc/72/43/60/1190724360.db2.gz XBIUSAKNQJOJRC-OIISXLGYSA-N 2 1 364.490 0.966 10 0 FCAEMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897355728 1190783068 /nfs/dbraw/zinc/78/30/68/1190783068.db2.gz CJCMRSAEEFCAIT-RTBURBONSA-N 2 1 359.470 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C(C)C)CC[N@H+]1C ZINC001746059329 1191112370 /nfs/dbraw/zinc/11/23/70/1191112370.db2.gz AYAZFNCOSADCOR-LUKYLMHMSA-N 2 1 350.507 0.869 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C(C)C)CC[NH+]1C ZINC001746059329 1191112373 /nfs/dbraw/zinc/11/23/73/1191112373.db2.gz AYAZFNCOSADCOR-LUKYLMHMSA-N 2 1 350.507 0.869 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C(C)C)CC[NH+]1C ZINC001746059329 1191112376 /nfs/dbraw/zinc/11/23/76/1191112376.db2.gz AYAZFNCOSADCOR-LUKYLMHMSA-N 2 1 350.507 0.869 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001719927172 1191217098 /nfs/dbraw/zinc/21/70/98/1191217098.db2.gz FREJZCWICXADJU-OAGGEKHMSA-N 2 1 350.507 0.917 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000550783576 1193793237 /nfs/dbraw/zinc/79/32/37/1193793237.db2.gz FVZXIDOIACRYHK-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001483062037 1193856512 /nfs/dbraw/zinc/85/65/12/1193856512.db2.gz LQAOWOHGFRCJSI-WYNBNGFRSA-N 2 1 370.497 0.826 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000552537601 1193937565 /nfs/dbraw/zinc/93/75/65/1193937565.db2.gz JJLZDEVAVWWJBZ-MRXNPFEDSA-N 2 1 368.522 0.309 10 0 FCAEMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898664067 1194059382 /nfs/dbraw/zinc/05/93/82/1194059382.db2.gz BOMKATDQQMXTPD-MOPGFXCFSA-N 2 1 359.470 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001483129968 1194189779 /nfs/dbraw/zinc/18/97/79/1194189779.db2.gz NNJIBPMLEYMULI-HZSPNIEDSA-N 2 1 369.510 0.435 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)C1=O ZINC000905021771 1195572745 /nfs/dbraw/zinc/57/27/45/1195572745.db2.gz CMMVJUHUEAAOOS-LQWHRVPQSA-N 2 1 371.481 0.966 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)C1=O ZINC000905021772 1195572991 /nfs/dbraw/zinc/57/29/91/1195572991.db2.gz CMMVJUHUEAAOOS-OPYAIIAOSA-N 2 1 371.481 0.966 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000907287925 1195687206 /nfs/dbraw/zinc/68/72/06/1195687206.db2.gz JVNWPXHENWDDNG-NSHGMRRFSA-N 2 1 361.486 0.715 10 0 FCAEMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908135861 1195724240 /nfs/dbraw/zinc/72/42/40/1195724240.db2.gz ZNNJBAMXRHIQAA-CTNGQTDRSA-N 2 1 374.529 0.718 10 0 FCAEMP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912723444 1196361210 /nfs/dbraw/zinc/36/12/10/1196361210.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000912723444 1196361215 /nfs/dbraw/zinc/36/12/15/1196361215.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000912723444 1196361222 /nfs/dbraw/zinc/36/12/22/1196361222.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000912723444 1196361224 /nfs/dbraw/zinc/36/12/24/1196361224.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912723444 1196361229 /nfs/dbraw/zinc/36/12/29/1196361229.db2.gz GVNCWFVDUGTTDR-CTNGQTDRSA-N 2 1 374.529 0.766 10 0 FCAEMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917040 1196383945 /nfs/dbraw/zinc/38/39/45/1196383945.db2.gz ULCDXLHXSZOXCD-IAGOWNOFSA-N 2 1 364.490 0.006 10 0 FCAEMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917044 1196384035 /nfs/dbraw/zinc/38/40/35/1196384035.db2.gz ULCDXLHXSZOXCD-SJORKVTESA-N 2 1 364.490 0.006 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000810345600 1202942872 /nfs/dbraw/zinc/94/28/72/1202942872.db2.gz YRZWUPADASLKPT-IBGZPJMESA-N 2 1 368.497 0.966 10 0 FCAEMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001146375901 1204716134 /nfs/dbraw/zinc/71/61/34/1204716134.db2.gz CSCZFOCSPJPMQP-ICSRJNTNSA-N 2 1 360.502 0.376 10 0 FCAEMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001146375901 1204716139 /nfs/dbraw/zinc/71/61/39/1204716139.db2.gz CSCZFOCSPJPMQP-ICSRJNTNSA-N 2 1 360.502 0.376 10 0 FCAEMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001146375901 1204716143 /nfs/dbraw/zinc/71/61/43/1204716143.db2.gz CSCZFOCSPJPMQP-ICSRJNTNSA-N 2 1 360.502 0.376 10 0 FCAEMP 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10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000849512291 1245398115 /nfs/dbraw/zinc/39/81/15/1245398115.db2.gz BTYHYEBILPSAOF-XWTMOSNGSA-N 2 1 361.490 0.435 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000849512291 1245398122 /nfs/dbraw/zinc/39/81/22/1245398122.db2.gz BTYHYEBILPSAOF-XWTMOSNGSA-N 2 1 361.490 0.435 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849522853 1245398375 /nfs/dbraw/zinc/39/83/75/1245398375.db2.gz PDACUUCMSSLNHU-SQNIBIBYSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522853 1245398381 /nfs/dbraw/zinc/39/83/81/1245398381.db2.gz PDACUUCMSSLNHU-SQNIBIBYSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522853 1245398385 /nfs/dbraw/zinc/39/83/85/1245398385.db2.gz PDACUUCMSSLNHU-SQNIBIBYSA-N 2 1 363.506 0.682 10 0 FCAEMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849524142 1245399386 /nfs/dbraw/zinc/39/93/86/1245399386.db2.gz FFWLGBILQRETKD-ROUUACIJSA-N 2 1 363.506 0.636 10 0 FCAEMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849524142 1245399391 /nfs/dbraw/zinc/39/93/91/1245399391.db2.gz FFWLGBILQRETKD-ROUUACIJSA-N 2 1 363.506 0.636 10 0 FCAEMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578250 1245403234 /nfs/dbraw/zinc/40/32/34/1245403234.db2.gz LCGZBGXJMNKAAP-QZTJIDSGSA-N 2 1 365.522 0.664 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578250 1245403237 /nfs/dbraw/zinc/40/32/37/1245403237.db2.gz LCGZBGXJMNKAAP-QZTJIDSGSA-N 2 1 365.522 0.664 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578250 1245403239 /nfs/dbraw/zinc/40/32/39/1245403239.db2.gz LCGZBGXJMNKAAP-QZTJIDSGSA-N 2 1 365.522 0.664 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H]2CCC[NH+]2CCCO)cn1 ZINC000849596470 1245404976 /nfs/dbraw/zinc/40/49/76/1245404976.db2.gz AGZIMXTXLMRBKX-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cn1 ZINC000849596470 1245404979 /nfs/dbraw/zinc/40/49/79/1245404979.db2.gz AGZIMXTXLMRBKX-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CCC[N@H+]2CCCO)cn1 ZINC000849596470 1245404982 /nfs/dbraw/zinc/40/49/82/1245404982.db2.gz AGZIMXTXLMRBKX-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480605 1245472910 /nfs/dbraw/zinc/47/29/10/1245472910.db2.gz DKLOSGQUWJWCJD-RYRKJORJSA-N 2 1 371.485 0.862 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480604 1245473031 /nfs/dbraw/zinc/47/30/31/1245473031.db2.gz DKLOSGQUWJWCJD-NUJGCVRESA-N 2 1 371.485 0.862 10 0 FCAEMP CN1CCc2[nH]c3ccc(C(=O)NCC[N@@H+](C)CCOCCO)cc3c2C1 ZINC000922115263 1245660506 /nfs/dbraw/zinc/66/05/06/1245660506.db2.gz IQEWSAHFZKFDJM-UHFFFAOYSA-N 2 1 374.485 0.826 10 0 FCAEMP C[N@@H+](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)CCOCCO ZINC000922115263 1245660519 /nfs/dbraw/zinc/66/05/19/1245660519.db2.gz IQEWSAHFZKFDJM-UHFFFAOYSA-N 2 1 374.485 0.826 10 0 FCAEMP C[NH+](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)CCOCCO ZINC000922115263 1245660521 /nfs/dbraw/zinc/66/05/21/1245660521.db2.gz IQEWSAHFZKFDJM-UHFFFAOYSA-N 2 1 374.485 0.826 10 0 FCAEMP C[NH+](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)CCOCCO ZINC000922115263 1245660526 /nfs/dbraw/zinc/66/05/26/1245660526.db2.gz IQEWSAHFZKFDJM-UHFFFAOYSA-N 2 1 374.485 0.826 10 0 FCAEMP O=C(CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)NCc1ccccc1 ZINC000923317701 1245707519 /nfs/dbraw/zinc/70/75/19/1245707519.db2.gz BNIGMKYTQSPTBC-SFHVURJKSA-N 2 1 358.486 0.299 10 0 FCAEMP COCCOC[C@H](O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398592 1245715523 /nfs/dbraw/zinc/71/55/23/1245715523.db2.gz LSFIGAMJRPQZBI-HZPDHXFCSA-N 2 1 367.494 0.023 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329346651 1265739529 /nfs/dbraw/zinc/73/95/29/1265739529.db2.gz WWXRNMXZCSOIJD-YESZJQIVSA-N 2 1 364.490 0.003 10 0 FCAEMP C[N@H+](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC001329602996 1265790424 /nfs/dbraw/zinc/79/04/24/1265790424.db2.gz SJXQADNNBCGBKT-ZACQAIPSSA-N 2 1 358.442 0.512 10 0 FCAEMP C[N@@H+](CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC001329602996 1265790432 /nfs/dbraw/zinc/79/04/32/1265790432.db2.gz SJXQADNNBCGBKT-ZACQAIPSSA-N 2 1 358.442 0.512 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCCOC1 ZINC001329811029 1265857948 /nfs/dbraw/zinc/85/79/48/1265857948.db2.gz PJYYEIQRYFNQHG-WBVHZDCISA-N 2 1 366.506 0.299 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCCOC1 ZINC001329811029 1265857958 /nfs/dbraw/zinc/85/79/58/1265857958.db2.gz PJYYEIQRYFNQHG-WBVHZDCISA-N 2 1 366.506 0.299 10 0 FCAEMP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)[C@@H]1C ZINC001521098055 1266079913 /nfs/dbraw/zinc/07/99/13/1266079913.db2.gz IUHZSRKFEJSELN-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)[C@@H]1C ZINC001521098055 1266079919 /nfs/dbraw/zinc/07/99/19/1266079919.db2.gz IUHZSRKFEJSELN-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H]1C ZINC001521098055 1266079926 /nfs/dbraw/zinc/07/99/26/1266079926.db2.gz IUHZSRKFEJSELN-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H]1C ZINC001521098055 1266079930 /nfs/dbraw/zinc/07/99/30/1266079930.db2.gz IUHZSRKFEJSELN-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[C@H]1c1ccc(F)cc1 ZINC001331476208 1266222155 /nfs/dbraw/zinc/22/21/55/1266222155.db2.gz PQOMLQQXMKLHQD-FRQCXROJSA-N 2 1 362.449 0.884 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[C@H]1c1ccc(F)cc1 ZINC001331476208 1266222159 /nfs/dbraw/zinc/22/21/59/1266222159.db2.gz PQOMLQQXMKLHQD-FRQCXROJSA-N 2 1 362.449 0.884 10 0 FCAEMP O=C1N[C@@H]2C[N@@H+](CCOC3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001335380293 1259634287 /nfs/dbraw/zinc/63/42/87/1259634287.db2.gz DYWYLNPBOIAQSD-SJORKVTESA-N 2 1 352.479 0.402 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001261379293 1260128912 /nfs/dbraw/zinc/12/89/12/1260128912.db2.gz YOPQYAOJPQTOKE-GVDBMIGSSA-N 2 1 359.474 0.544 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@H]1c1ccc(F)cc1 ZINC001261632870 1260172881 /nfs/dbraw/zinc/17/28/81/1260172881.db2.gz PHYIBGOPAJNKQS-GGXOKCCSSA-N 2 1 360.433 0.555 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@H]1c1ccc(F)cc1 ZINC001261632870 1260172885 /nfs/dbraw/zinc/17/28/85/1260172885.db2.gz PHYIBGOPAJNKQS-GGXOKCCSSA-N 2 1 360.433 0.555 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(CCOC)CC1CC[NH+](C)CC1 ZINC001262214289 1260278814 /nfs/dbraw/zinc/27/88/14/1260278814.db2.gz NNBUMAASMBYFRR-QGZVFWFLSA-N 2 1 365.526 0.952 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCCO3)C2)CC[N@H+]1C ZINC001265478447 1260414264 /nfs/dbraw/zinc/41/42/64/1260414264.db2.gz DQAZGBMFLRXLQS-QUSNUVHPSA-N 2 1 366.506 0.249 10 0 FCAEMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001522073881 1266332003 /nfs/dbraw/zinc/33/20/03/1266332003.db2.gz NHRSRGAQUKNQSC-XLAORIBOSA-N 2 1 350.507 0.382 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001279565391 1260893728 /nfs/dbraw/zinc/89/37/28/1260893728.db2.gz JUKOJXMQZPNVEL-VDHUWJSZSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)NCC2CC2)CC[N@H+]1C ZINC001279565391 1260893734 /nfs/dbraw/zinc/89/37/34/1260893734.db2.gz JUKOJXMQZPNVEL-VDHUWJSZSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001279565391 1260893739 /nfs/dbraw/zinc/89/37/39/1260893739.db2.gz JUKOJXMQZPNVEL-VDHUWJSZSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001279565391 1260893744 /nfs/dbraw/zinc/89/37/44/1260893744.db2.gz JUKOJXMQZPNVEL-VDHUWJSZSA-N 2 1 362.518 0.918 10 0 FCAEMP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001281616975 1261125044 /nfs/dbraw/zinc/12/50/44/1261125044.db2.gz SLGOWYLYKABPBC-GVDBMIGSSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001281616975 1261125048 /nfs/dbraw/zinc/12/50/48/1261125048.db2.gz SLGOWYLYKABPBC-GVDBMIGSSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001281616975 1261125054 /nfs/dbraw/zinc/12/50/54/1261125054.db2.gz SLGOWYLYKABPBC-GVDBMIGSSA-N 2 1 364.534 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001281714298 1261169082 /nfs/dbraw/zinc/16/90/82/1261169082.db2.gz SMMVTWBBTZKPGD-AEGPPILISA-N 2 1 367.494 0.189 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC001281962030 1261310775 /nfs/dbraw/zinc/31/07/75/1261310775.db2.gz UKNMPWOOHLTRKA-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC001281962030 1261310779 /nfs/dbraw/zinc/31/07/79/1261310779.db2.gz UKNMPWOOHLTRKA-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001282010713 1261330762 /nfs/dbraw/zinc/33/07/62/1261330762.db2.gz JFAPZHYXBMQYAC-PFSRBDOWSA-N 2 1 363.462 0.828 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001282311755 1261411528 /nfs/dbraw/zinc/41/15/28/1261411528.db2.gz RLXHOGVJVMYGAW-BRWVUGGUSA-N 2 1 368.522 0.354 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001282311755 1261411532 /nfs/dbraw/zinc/41/15/32/1261411532.db2.gz RLXHOGVJVMYGAW-BRWVUGGUSA-N 2 1 368.522 0.354 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001282311755 1261411534 /nfs/dbraw/zinc/41/15/34/1261411534.db2.gz RLXHOGVJVMYGAW-BRWVUGGUSA-N 2 1 368.522 0.354 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001345153885 1261641603 /nfs/dbraw/zinc/64/16/03/1261641603.db2.gz FNKMGJUHEJYSNM-JSQNDZKTSA-N 2 1 362.449 0.883 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001345153885 1261641609 /nfs/dbraw/zinc/64/16/09/1261641609.db2.gz FNKMGJUHEJYSNM-JSQNDZKTSA-N 2 1 362.449 0.883 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC001288988479 1262061214 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/nfs/dbraw/zinc/51/61/83/1269516183.db2.gz ATJDSEFQLZEPBB-ARFHVFGLSA-N 2 1 353.511 0.520 10 0 FCAEMP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001566012124 1269548848 /nfs/dbraw/zinc/54/88/48/1269548848.db2.gz FNOHJENOFWASEZ-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001566012124 1269548851 /nfs/dbraw/zinc/54/88/51/1269548851.db2.gz FNOHJENOFWASEZ-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCS(=O)(=O)CC ZINC001566024967 1269563666 /nfs/dbraw/zinc/56/36/66/1269563666.db2.gz BBTGRWBVBRWWPC-JKSUJKDBSA-N 2 1 371.547 0.876 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCS(=O)(=O)CC ZINC001566024967 1269563671 /nfs/dbraw/zinc/56/36/71/1269563671.db2.gz BBTGRWBVBRWWPC-JKSUJKDBSA-N 2 1 371.547 0.876 10 0 FCAEMP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CCOCCO)CC[C@@H]3C2)CC1 ZINC001566051819 1269584588 /nfs/dbraw/zinc/58/45/88/1269584588.db2.gz GJUSSRFSXHNYCB-MSOLQXFVSA-N 2 1 353.507 0.508 10 0 FCAEMP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001566109146 1269610863 /nfs/dbraw/zinc/61/08/63/1269610863.db2.gz AKLWBUQEQUXZDX-ILXRZTDVSA-N 2 1 367.494 0.143 10 0 FCAEMP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001566109146 1269610868 /nfs/dbraw/zinc/61/08/68/1269610868.db2.gz AKLWBUQEQUXZDX-ILXRZTDVSA-N 2 1 367.494 0.143 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001566109146 1269610871 /nfs/dbraw/zinc/61/08/71/1269610871.db2.gz AKLWBUQEQUXZDX-ILXRZTDVSA-N 2 1 367.494 0.143 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001566109146 1269610872 /nfs/dbraw/zinc/61/08/72/1269610872.db2.gz AKLWBUQEQUXZDX-ILXRZTDVSA-N 2 1 367.494 0.143 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001566456794 1269645132 /nfs/dbraw/zinc/64/51/32/1269645132.db2.gz KTYKLPGYUPGFMM-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)C[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001566456794 1269645143 /nfs/dbraw/zinc/64/51/43/1269645143.db2.gz KTYKLPGYUPGFMM-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001566456794 1269645149 /nfs/dbraw/zinc/64/51/49/1269645149.db2.gz KTYKLPGYUPGFMM-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP Cc1csc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001567016530 1269674378 /nfs/dbraw/zinc/67/43/78/1269674378.db2.gz HNQQGEXUBXGCPU-RAIGVLPGSA-N 2 1 353.492 0.825 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001343015651 1269732642 /nfs/dbraw/zinc/73/26/42/1269732642.db2.gz VWZPSCHQTYCEAU-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001568853738 1269751421 /nfs/dbraw/zinc/75/14/21/1269751421.db2.gz NHLUFPYUGWOHOR-BWCQMHGCSA-N 2 1 371.547 0.804 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118140 1269765075 /nfs/dbraw/zinc/76/50/75/1269765075.db2.gz OYTCISCILSWDBE-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118140 1269765080 /nfs/dbraw/zinc/76/50/80/1269765080.db2.gz OYTCISCILSWDBE-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569118140 1269765088 /nfs/dbraw/zinc/76/50/88/1269765088.db2.gz OYTCISCILSWDBE-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569118140 1269765092 /nfs/dbraw/zinc/76/50/92/1269765092.db2.gz OYTCISCILSWDBE-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001569748685 1269799992 /nfs/dbraw/zinc/79/99/92/1269799992.db2.gz GYBJTBHGJVEREQ-QBIMZIAESA-N 2 1 350.438 0.614 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001569748685 1269799998 /nfs/dbraw/zinc/79/99/98/1269799998.db2.gz GYBJTBHGJVEREQ-QBIMZIAESA-N 2 1 350.438 0.614 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001569748685 1269800003 /nfs/dbraw/zinc/80/00/03/1269800003.db2.gz GYBJTBHGJVEREQ-QBIMZIAESA-N 2 1 350.438 0.614 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001569748685 1269800009 /nfs/dbraw/zinc/80/00/09/1269800009.db2.gz GYBJTBHGJVEREQ-QBIMZIAESA-N 2 1 350.438 0.614 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001569875858 1269814893 /nfs/dbraw/zinc/81/48/93/1269814893.db2.gz RSXCXHHQFKZAGT-XWTMOSNGSA-N 2 1 364.534 0.879 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001569875858 1269814907 /nfs/dbraw/zinc/81/49/07/1269814907.db2.gz RSXCXHHQFKZAGT-XWTMOSNGSA-N 2 1 364.534 0.879 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC(C)C)C[C@@H]3C2)CC[NH+]1C ZINC001569875858 1269814920 /nfs/dbraw/zinc/81/49/20/1269814920.db2.gz RSXCXHHQFKZAGT-XWTMOSNGSA-N 2 1 364.534 0.879 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ncnn2C(C)(C)C)CC[N@@H+]1C ZINC001569934114 1269822508 /nfs/dbraw/zinc/82/25/08/1269822508.db2.gz NXQPYFCBNRCYCE-HUUCEWRRSA-N 2 1 366.510 0.284 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2ncnn2C(C)(C)C)CC[N@H+]1C ZINC001569934114 1269822517 /nfs/dbraw/zinc/82/25/17/1269822517.db2.gz NXQPYFCBNRCYCE-HUUCEWRRSA-N 2 1 366.510 0.284 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCc3cnn(C)c3)CCOCC2)CC[N@H+]1C ZINC001570301440 1269868440 /nfs/dbraw/zinc/86/84/40/1269868440.db2.gz WQYVZWUQBMMHMU-NVXWUHKLSA-N 2 1 363.506 0.558 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](C[C@@H](O)C3CCCCC3)C2)CC[N@@H+]1C ZINC001570759624 1269910308 /nfs/dbraw/zinc/91/03/08/1269910308.db2.gz IIJHLXFLXGEICA-KBAYOESNSA-N 2 1 367.534 0.821 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](C[C@@H](O)C3CCCCC3)C2)CC[N@H+]1C ZINC001570759624 1269910312 /nfs/dbraw/zinc/91/03/12/1269910312.db2.gz IIJHLXFLXGEICA-KBAYOESNSA-N 2 1 367.534 0.821 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC(OCCC[NH2+]Cc3cnon3)CC2)CC[N@H+]1C ZINC001570785628 1269914321 /nfs/dbraw/zinc/91/43/21/1269914321.db2.gz MHNPQGDDQRBTFP-RHSMWYFYSA-N 2 1 365.478 0.897 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(F)cn2)CC[N@H+]1C ZINC001571580366 1269938426 /nfs/dbraw/zinc/93/84/26/1269938426.db2.gz ONXJVFCWWMCMDZ-IXDOHACOSA-N 2 1 352.454 0.860 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001343530395 1269938506 /nfs/dbraw/zinc/93/85/06/1269938506.db2.gz WFJHPVUOFNDDFB-ZACQAIPSSA-N 2 1 368.522 0.137 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001571657573 1269949911 /nfs/dbraw/zinc/94/99/11/1269949911.db2.gz NAFJJKBPWHQCSY-IKWCTNDRSA-N 2 1 364.412 0.584 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001572960847 1270414386 /nfs/dbraw/zinc/41/43/86/1270414386.db2.gz ZWNGEVWZMSOMNL-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001572960847 1270414391 /nfs/dbraw/zinc/41/43/91/1270414391.db2.gz ZWNGEVWZMSOMNL-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001572960847 1270414397 /nfs/dbraw/zinc/41/43/97/1270414397.db2.gz ZWNGEVWZMSOMNL-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001573364895 1270763136 /nfs/dbraw/zinc/76/31/36/1270763136.db2.gz MTHYHTBCSMRMOR-SJORKVTESA-N 2 1 361.490 0.839 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001573364895 1270763138 /nfs/dbraw/zinc/76/31/38/1270763138.db2.gz MTHYHTBCSMRMOR-SJORKVTESA-N 2 1 361.490 0.839 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001573855822 1270909463 /nfs/dbraw/zinc/90/94/63/1270909463.db2.gz KLSPHILYJUBNMN-KYJSFNMBSA-N 2 1 363.506 0.988 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001713130121 1287266509 /nfs/dbraw/zinc/26/65/09/1287266509.db2.gz CFWUAGVYVSRJAL-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001713130121 1287266511 /nfs/dbraw/zinc/26/65/11/1287266511.db2.gz CFWUAGVYVSRJAL-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001713130121 1287266513 /nfs/dbraw/zinc/26/65/13/1287266513.db2.gz CFWUAGVYVSRJAL-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@@H+]1C ZINC001713592851 1287288040 /nfs/dbraw/zinc/28/80/40/1287288040.db2.gz KMBMUGAYGGMNAV-CHWSQXEVSA-N 2 1 359.434 0.415 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@H+]1C ZINC001713592851 1287288044 /nfs/dbraw/zinc/28/80/44/1287288044.db2.gz KMBMUGAYGGMNAV-CHWSQXEVSA-N 2 1 359.434 0.415 10 0 FCAEMP CC(C)N(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713752188 1287296392 /nfs/dbraw/zinc/29/63/92/1287296392.db2.gz KDKLVUUAVPIMQB-BRWVUGGUSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)N(C)C(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713752188 1287296393 /nfs/dbraw/zinc/29/63/93/1287296393.db2.gz KDKLVUUAVPIMQB-BRWVUGGUSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)N(C)C(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713752188 1287296395 /nfs/dbraw/zinc/29/63/95/1287296395.db2.gz KDKLVUUAVPIMQB-BRWVUGGUSA-N 2 1 352.523 0.974 10 0 FCAEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)N1CCOCC1 ZINC001715056863 1287341659 /nfs/dbraw/zinc/34/16/59/1287341659.db2.gz LANLAAVOXZCRRY-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001715224585 1287346180 /nfs/dbraw/zinc/34/61/80/1287346180.db2.gz AADOJBFTLFVABR-SOUVJXGZSA-N 2 1 352.479 0.208 10 0 FCAEMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001715993878 1287367282 /nfs/dbraw/zinc/36/72/82/1287367282.db2.gz FCYMOKUDUHWSCV-QGTPRVQTSA-N 2 1 356.474 0.755 10 0 FCAEMP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715993878 1287367289 /nfs/dbraw/zinc/36/72/89/1287367289.db2.gz FCYMOKUDUHWSCV-QGTPRVQTSA-N 2 1 356.474 0.755 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CCc2scnc2C)CC[N@H+]1C ZINC001716087536 1287370029 /nfs/dbraw/zinc/37/00/29/1287370029.db2.gz IMANEAPGPDNFBW-QLFBSQMISA-N 2 1 354.520 0.791 10 0 FCAEMP CCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001581360741 1279768790 /nfs/dbraw/zinc/76/87/90/1279768790.db2.gz KUPWPRDVZAZOCA-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP 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C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001656369034 1291516593 /nfs/dbraw/zinc/51/65/93/1291516593.db2.gz DTRQOLFGMSGNKY-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCc3sc(C[NH2+]CCO)nc3C2)CC[N@@H+]1C ZINC001657086697 1291595238 /nfs/dbraw/zinc/59/52/38/1291595238.db2.gz JJOCFYXZSVNXQR-GXTWGEPZSA-N 2 1 352.504 0.840 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCc3sc(C[NH2+]CCO)nc3C2)CC[N@H+]1C ZINC001657086697 1291595241 /nfs/dbraw/zinc/59/52/41/1291595241.db2.gz JJOCFYXZSVNXQR-GXTWGEPZSA-N 2 1 352.504 0.840 10 0 FCAEMP Cc1cccc(CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001663941752 1291774503 /nfs/dbraw/zinc/77/45/03/1291774503.db2.gz LWONBEAUVGXZMK-SJLPKXTDSA-N 2 1 360.502 0.999 10 0 FCAEMP COc1coc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001666902069 1291924923 /nfs/dbraw/zinc/92/49/23/1291924923.db2.gz BTCVSDOEABHLRL-UMVBOHGHSA-N 2 1 351.447 0.925 10 0 FCAEMP CCN(CC[NH2+]CC(=O)Nc1nccs1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435621 1291964851 /nfs/dbraw/zinc/96/48/51/1291964851.db2.gz MJSVARQMCPBXDY-CHWSQXEVSA-N 2 1 353.492 0.860 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001685001882 1292397901 /nfs/dbraw/zinc/39/79/01/1292397901.db2.gz FLWBERMZTSXWID-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001685553304 1292556693 /nfs/dbraw/zinc/55/66/93/1292556693.db2.gz FHBAOLXYAYFZPS-MDZRGWNJSA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001685553304 1292556697 /nfs/dbraw/zinc/55/66/97/1292556697.db2.gz FHBAOLXYAYFZPS-MDZRGWNJSA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001685553304 1292556703 /nfs/dbraw/zinc/55/67/03/1292556703.db2.gz FHBAOLXYAYFZPS-MDZRGWNJSA-N 2 1 350.507 0.729 10 0 FCAEMP 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CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCCS(C)(=O)=O ZINC001316738541 867434442 /nfs/dbraw/zinc/43/44/42/867434442.db2.gz FTFCRKCOQWSUHP-LSDHHAIUSA-N 2 1 357.520 0.486 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCS(C)(=O)=O ZINC001316738541 867434449 /nfs/dbraw/zinc/43/44/49/867434449.db2.gz FTFCRKCOQWSUHP-LSDHHAIUSA-N 2 1 357.520 0.486 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001316742168 867440117 /nfs/dbraw/zinc/44/01/17/867440117.db2.gz KTAKXAPDOJUXGW-YESZJQIVSA-N 2 1 351.495 0.553 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1C[C@H](O)Cn1cccn1 ZINC001316742168 867440124 /nfs/dbraw/zinc/44/01/24/867440124.db2.gz KTAKXAPDOJUXGW-YESZJQIVSA-N 2 1 351.495 0.553 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1C[C@H](O)Cn1cccn1 ZINC001316742168 867440133 /nfs/dbraw/zinc/44/01/33/867440133.db2.gz KTAKXAPDOJUXGW-YESZJQIVSA-N 2 1 351.495 0.553 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001316763120 867461185 /nfs/dbraw/zinc/46/11/85/867461185.db2.gz MFUMJJAGTHENRQ-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)[C@@H]2CCCNC2=O)CC[NH+]1C ZINC001316763120 867461194 /nfs/dbraw/zinc/46/11/94/867461194.db2.gz MFUMJJAGTHENRQ-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)[C@@H]2CCCNC2=O)CC[NH+]1C ZINC001316763120 867461207 /nfs/dbraw/zinc/46/12/07/867461207.db2.gz MFUMJJAGTHENRQ-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)Cc2ccnn2C)CC[N@@H+]1C ZINC001316763077 867462736 /nfs/dbraw/zinc/46/27/36/867462736.db2.gz KNAITTVPGLPZJQ-NVXWUHKLSA-N 2 1 351.495 0.667 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH+](C)Cc2ccnn2C)CC[N@H+]1C ZINC001316763077 867462737 /nfs/dbraw/zinc/46/27/37/867462737.db2.gz KNAITTVPGLPZJQ-NVXWUHKLSA-N 2 1 351.495 0.667 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001316763077 867462739 /nfs/dbraw/zinc/46/27/39/867462739.db2.gz KNAITTVPGLPZJQ-NVXWUHKLSA-N 2 1 351.495 0.667 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[N@@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001316763077 867462740 /nfs/dbraw/zinc/46/27/40/867462740.db2.gz KNAITTVPGLPZJQ-NVXWUHKLSA-N 2 1 351.495 0.667 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001316962791 867515147 /nfs/dbraw/zinc/51/51/47/867515147.db2.gz GHHGORNECXXTFH-FGTMMUONSA-N 2 1 352.523 0.487 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C2)CC[N@H+]1C ZINC001317108971 867521099 /nfs/dbraw/zinc/52/10/99/867521099.db2.gz JOFKNRIMZQRRAM-FVCCEPFGSA-N 2 1 364.412 0.584 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC[C@H]1C(F)(F)F ZINC001353934061 867522250 /nfs/dbraw/zinc/52/22/50/867522250.db2.gz AHYHZZXJMFTKCE-JHJVBQTASA-N 2 1 362.396 0.421 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001317393492 867528925 /nfs/dbraw/zinc/52/89/25/867528925.db2.gz SPCAMQMKVCZQNX-MRVWCRGKSA-N 2 1 351.451 0.746 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CCOCCO)CC2)CC[N@H+]1C ZINC001317671235 867546058 /nfs/dbraw/zinc/54/60/58/867546058.db2.gz GIYTVSRZUQZNOB-RYQLBKOJSA-N 2 1 355.523 0.942 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001354103984 867549463 /nfs/dbraw/zinc/54/94/63/867549463.db2.gz DJTHJESKDJYCTO-SUJAAXHWSA-N 2 1 350.507 0.630 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001354103984 867549476 /nfs/dbraw/zinc/54/94/76/867549476.db2.gz DJTHJESKDJYCTO-SUJAAXHWSA-N 2 1 350.507 0.630 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001354103984 867549495 /nfs/dbraw/zinc/54/94/95/867549495.db2.gz DJTHJESKDJYCTO-SUJAAXHWSA-N 2 1 350.507 0.630 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001317790598 867558446 /nfs/dbraw/zinc/55/84/46/867558446.db2.gz UEWCXTHNKVOMBA-HYVNUMGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001317790598 867558457 /nfs/dbraw/zinc/55/84/57/867558457.db2.gz UEWCXTHNKVOMBA-HYVNUMGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001317790598 867558464 /nfs/dbraw/zinc/55/84/64/867558464.db2.gz UEWCXTHNKVOMBA-HYVNUMGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001318253865 867629185 /nfs/dbraw/zinc/62/91/85/867629185.db2.gz YOEUWVWUFQEZSE-YESZJQIVSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001318253865 867629191 /nfs/dbraw/zinc/62/91/91/867629191.db2.gz YOEUWVWUFQEZSE-YESZJQIVSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001318253865 867629194 /nfs/dbraw/zinc/62/91/94/867629194.db2.gz YOEUWVWUFQEZSE-YESZJQIVSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001318253865 867629198 /nfs/dbraw/zinc/62/91/98/867629198.db2.gz YOEUWVWUFQEZSE-YESZJQIVSA-N 2 1 350.507 0.776 10 0 FCAEMP Cc1csc(=O)n1CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319461577 867924739 /nfs/dbraw/zinc/92/47/39/867924739.db2.gz UEKRICJWDXXMAG-BPLDGKMQSA-N 2 1 354.520 0.995 10 0 FCAEMP C[C@H](CC[NH2+]CC(=O)N(C)CC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320421974 868163540 /nfs/dbraw/zinc/16/35/40/868163540.db2.gz NBZKEPRCTGDHHP-JHJVBQTASA-N 2 1 366.428 0.832 10 0 FCAEMP Cc1csc(=O)n1CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001321067477 868357521 /nfs/dbraw/zinc/35/75/21/868357521.db2.gz VSUXXFHXCSRGPL-ZYDHHDLOSA-N 2 1 352.504 0.820 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)Nc3nncs3)CC2)CC[N@@H+]1C ZINC001323442636 869194174 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LCTKVDSTWISKQC-IXDOHACOSA-N 2 1 350.507 0.968 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001345056567 871168180 /nfs/dbraw/zinc/16/81/80/871168180.db2.gz JKEDCNWZDMLXAL-IKGGRYGDSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001345056567 871168186 /nfs/dbraw/zinc/16/81/86/871168186.db2.gz JKEDCNWZDMLXAL-IKGGRYGDSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001345056567 871168194 /nfs/dbraw/zinc/16/81/94/871168194.db2.gz JKEDCNWZDMLXAL-IKGGRYGDSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1C ZINC001346121307 871655923 /nfs/dbraw/zinc/65/59/23/871655923.db2.gz YWRMAXQRBFQJAB-GVDBMIGSSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001346121307 871655938 /nfs/dbraw/zinc/65/59/38/871655938.db2.gz YWRMAXQRBFQJAB-GVDBMIGSSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001346121307 871655962 /nfs/dbraw/zinc/65/59/62/871655962.db2.gz YWRMAXQRBFQJAB-GVDBMIGSSA-N 2 1 352.523 0.879 10 0 FCAEMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001346416141 871827635 /nfs/dbraw/zinc/82/76/35/871827635.db2.gz RRZXLNRMCFOKJI-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001346416141 871827640 /nfs/dbraw/zinc/82/76/40/871827640.db2.gz RRZXLNRMCFOKJI-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001346416141 871827650 /nfs/dbraw/zinc/82/76/50/871827650.db2.gz RRZXLNRMCFOKJI-XYJFISCASA-N 2 1 356.511 0.632 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCNC(=O)CC3)CC2)CC1 ZINC001329295873 871939561 /nfs/dbraw/zinc/93/95/61/871939561.db2.gz SRPXTJDLFYXRJQ-MRXNPFEDSA-N 2 1 350.507 0.968 10 0 FCAEMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001329562696 872109238 /nfs/dbraw/zinc/10/92/38/872109238.db2.gz HMJACNLDGISQJE-BEFAXECRSA-N 2 1 350.507 0.907 10 0 FCAEMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001347406717 872314090 /nfs/dbraw/zinc/31/40/90/872314090.db2.gz YRWITMXVZUZZQT-XYJFISCASA-N 2 1 354.495 0.386 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001347406716 872314572 /nfs/dbraw/zinc/31/45/72/872314572.db2.gz YRWITMXVZUZZQT-SOLBZPMBSA-N 2 1 354.495 0.386 10 0 FCAEMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001330086561 872454762 /nfs/dbraw/zinc/45/47/62/872454762.db2.gz XOUBMUALSOLQAM-FPCVCCKLSA-N 2 1 350.463 0.644 10 0 FCAEMP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001348265180 872650452 /nfs/dbraw/zinc/65/04/52/872650452.db2.gz UKEZKUODFGYWCQ-HOTGVXAUSA-N 2 1 353.511 0.127 10 0 FCAEMP C[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC001331230132 873021462 /nfs/dbraw/zinc/02/14/62/873021462.db2.gz OPVZHTVHMFLGOZ-INIZCTEOSA-N 2 1 352.523 0.630 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001331756305 873229735 /nfs/dbraw/zinc/22/97/35/873229735.db2.gz ROMLNRHXGBNYLL-AEGPPILISA-N 2 1 357.476 0.068 10 0 FCAEMP COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001332014486 873335898 /nfs/dbraw/zinc/33/58/98/873335898.db2.gz VEPOBIKMSJGFQU-BFYDXBDKSA-N 2 1 353.467 0.048 10 0 FCAEMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001332014486 873335917 /nfs/dbraw/zinc/33/59/17/873335917.db2.gz VEPOBIKMSJGFQU-BFYDXBDKSA-N 2 1 353.467 0.048 10 0 FCAEMP CN1CC[NH+](Cc2cccc(CNS(=O)(=O)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC001332365395 873478377 /nfs/dbraw/zinc/47/83/77/873478377.db2.gz RTKNLQCKTXUOGF-SFHVURJKSA-N 2 1 366.531 0.605 10 0 FCAEMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001332983373 873747891 /nfs/dbraw/zinc/74/78/91/873747891.db2.gz QOUOYHAHTJZTOV-OAHLLOKOSA-N 2 1 350.467 0.820 10 0 FCAEMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CN(S(C)(=O)=O)C3)CC2)CC1 ZINC000930752983 674055745 /nfs/dbraw/zinc/05/57/45/674055745.db2.gz YOEFRHXRWNCBCV-UHFFFAOYSA-N 2 1 358.552 0.370 10 0 FCAEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333118371 215237672 /nfs/dbraw/zinc/23/76/72/215237672.db2.gz AERSRUXIVMQMRK-IAGOWNOFSA-N 2 1 365.522 0.713 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333118371 215237674 /nfs/dbraw/zinc/23/76/74/215237674.db2.gz AERSRUXIVMQMRK-IAGOWNOFSA-N 2 1 365.522 0.713 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000333696328 215311025 /nfs/dbraw/zinc/31/10/25/215311025.db2.gz QHEAGPKKPLZNBJ-ZWKOTPCHSA-N 2 1 367.538 0.565 10 0 FCAEMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333844305 215324993 /nfs/dbraw/zinc/32/49/93/215324993.db2.gz LYKQDPNBVMDUSB-VSZNYVQBSA-N 2 1 363.502 0.857 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNC[C@H]2C(F)F)CC1=O ZINC000367283429 216101456 /nfs/dbraw/zinc/10/14/56/216101456.db2.gz VVHCYVMKFUOPRV-MCIONIFRSA-N 2 1 358.433 0.385 10 0 FCAEMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1=O ZINC000367283429 216101462 /nfs/dbraw/zinc/10/14/62/216101462.db2.gz VVHCYVMKFUOPRV-MCIONIFRSA-N 2 1 358.433 0.385 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1=O ZINC000367283429 216101466 /nfs/dbraw/zinc/10/14/66/216101466.db2.gz VVHCYVMKFUOPRV-MCIONIFRSA-N 2 1 358.433 0.385 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000367403073 216116743 /nfs/dbraw/zinc/11/67/43/216116743.db2.gz VOMOIFNZHXTQMG-SQGPQFPESA-N 2 1 362.518 0.921 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC000246604958 209392628 /nfs/dbraw/zinc/39/26/28/209392628.db2.gz JDRAVMCXEQZQHI-KSZLIROESA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC000246604958 209392630 /nfs/dbraw/zinc/39/26/30/209392630.db2.gz JDRAVMCXEQZQHI-KSZLIROESA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC000246604958 209392634 /nfs/dbraw/zinc/39/26/34/209392634.db2.gz JDRAVMCXEQZQHI-KSZLIROESA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC000246604968 209392067 /nfs/dbraw/zinc/39/20/67/209392067.db2.gz JDRAVMCXEQZQHI-KURKYZTESA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC000246604968 209392057 /nfs/dbraw/zinc/39/20/57/209392057.db2.gz JDRAVMCXEQZQHI-KURKYZTESA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC000246604968 209392061 /nfs/dbraw/zinc/39/20/61/209392061.db2.gz JDRAVMCXEQZQHI-KURKYZTESA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000246522238 209389114 /nfs/dbraw/zinc/38/91/14/209389114.db2.gz RHQPNHCQWIHMLB-RCCFBDPRSA-N 2 1 352.523 0.757 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H]2CCCC[C@H]2O)C1 ZINC000245563541 209369731 /nfs/dbraw/zinc/36/97/31/209369731.db2.gz YNOXZKRTINMGLF-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)C1 ZINC000245563541 209369733 /nfs/dbraw/zinc/36/97/33/209369733.db2.gz YNOXZKRTINMGLF-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)C1 ZINC000245563541 209369736 /nfs/dbraw/zinc/36/97/36/209369736.db2.gz YNOXZKRTINMGLF-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000190477654 209273674 /nfs/dbraw/zinc/27/36/74/209273674.db2.gz TZDBWLSGXQBJIV-INIZCTEOSA-N 2 1 357.458 0.433 10 0 FCAEMP C[C@H](CO)N(C[C@H](C)O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000190618669 209274631 /nfs/dbraw/zinc/27/46/31/209274631.db2.gz YBKREDMPPASTCY-SJORKVTESA-N 2 1 370.538 0.710 10 0 FCAEMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276282627 212204953 /nfs/dbraw/zinc/20/49/53/212204953.db2.gz FSCWFSXZIPSNOV-FOIQADDNSA-N 2 1 374.485 0.078 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000415290218 245379968 /nfs/dbraw/zinc/37/99/68/245379968.db2.gz CBAHKHAYDFUTML-OFQRWUPVSA-N 2 1 360.458 0.794 10 0 FCAEMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184738856 209166836 /nfs/dbraw/zinc/16/68/36/209166836.db2.gz WUPOGYKQJQENPU-ATZDWAIDSA-N 2 1 361.486 0.583 10 0 FCAEMP CN1CCN(C(=O)CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000375889620 217330970 /nfs/dbraw/zinc/33/09/70/217330970.db2.gz KQFPNDPSHZGSPG-DFNIBXOVSA-N 2 1 363.550 0.393 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000419153663 246019826 /nfs/dbraw/zinc/01/98/26/246019826.db2.gz PUPSEVTYNPHZLZ-YZJOHNBSSA-N 2 1 360.502 0.609 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212790 246056133 /nfs/dbraw/zinc/05/61/33/246056133.db2.gz VFTPTWXSAOMYDC-BPQIPLTHSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419204385 246051166 /nfs/dbraw/zinc/05/11/66/246051166.db2.gz HVHKRRDNNTXMMQ-NXHRZFHOSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419234042 246071484 /nfs/dbraw/zinc/07/14/84/246071484.db2.gz LQPVYTNPCHQCFB-RVKKMQEKSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419234042 246071487 /nfs/dbraw/zinc/07/14/87/246071487.db2.gz LQPVYTNPCHQCFB-RVKKMQEKSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@H+]1C1CC1 ZINC000419317204 246098310 /nfs/dbraw/zinc/09/83/10/246098310.db2.gz MNDWJKRACFYWTL-ZQGRMGSXSA-N 2 1 374.529 0.998 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419483050 246177957 /nfs/dbraw/zinc/17/79/57/246177957.db2.gz RFXUTYNMPOLGNU-TWMKSMIVSA-N 2 1 352.523 0.975 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000419651270 246231751 /nfs/dbraw/zinc/23/17/51/246231751.db2.gz OULMLKDYWZALDD-PUGNBPNRSA-N 2 1 374.529 0.857 10 0 FCAEMP C[C@@H](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000419716519 246267613 /nfs/dbraw/zinc/26/76/13/246267613.db2.gz RIKYBHMWJXUGLU-WMZOPIPTSA-N 2 1 373.501 0.935 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)CN1CC[NH+](C)CC1 ZINC000419828135 246307889 /nfs/dbraw/zinc/30/78/89/246307889.db2.gz OVXKGOVDWLXEEJ-INIZCTEOSA-N 2 1 367.538 0.154 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419830934 246310242 /nfs/dbraw/zinc/31/02/42/246310242.db2.gz QXGVOMLWLYKCQS-IAGOWNOFSA-N 2 1 359.474 0.421 10 0 FCAEMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939195 246377345 /nfs/dbraw/zinc/37/73/45/246377345.db2.gz YDTDTENUQPYSQT-GOEBONIOSA-N 2 1 362.474 0.106 10 0 FCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939195 246377351 /nfs/dbraw/zinc/37/73/51/246377351.db2.gz YDTDTENUQPYSQT-GOEBONIOSA-N 2 1 362.474 0.106 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419936680 246378779 /nfs/dbraw/zinc/37/87/79/246378779.db2.gz UQKOOTKSKQKUIP-FUHWJXTLSA-N 2 1 358.486 0.993 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423595634 247069157 /nfs/dbraw/zinc/06/91/57/247069157.db2.gz QMEAQXMLGHAUHO-SJPCQFCGSA-N 2 1 371.485 0.780 10 0 FCAEMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423648749 247091897 /nfs/dbraw/zinc/09/18/97/247091897.db2.gz RVOGXRXGMOTTEI-SFHVURJKSA-N 2 1 373.501 0.745 10 0 FCAEMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000423652197 247095682 /nfs/dbraw/zinc/09/56/82/247095682.db2.gz WZFIUWVSCUTRFW-MSOLQXFVSA-N 2 1 373.501 0.887 10 0 FCAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000423652197 247095687 /nfs/dbraw/zinc/09/56/87/247095687.db2.gz WZFIUWVSCUTRFW-MSOLQXFVSA-N 2 1 373.501 0.887 10 0 FCAEMP O=C(C[NH2+][C@@]1(CO)CCOc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000440467054 248186584 /nfs/dbraw/zinc/18/65/84/248186584.db2.gz LLSVVEZTPCDMEK-HXUWFJFHSA-N 2 1 359.470 0.989 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452376164 249314137 /nfs/dbraw/zinc/31/41/37/249314137.db2.gz NTZUKRUXNRVZEA-FQEVSTJZSA-N 2 1 374.529 0.767 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452376164 249314140 /nfs/dbraw/zinc/31/41/40/249314140.db2.gz NTZUKRUXNRVZEA-FQEVSTJZSA-N 2 1 374.529 0.767 10 0 FCAEMP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c2ccccc2)CC1 ZINC000452395042 249317447 /nfs/dbraw/zinc/31/74/47/249317447.db2.gz VYZMBTJIQIRMAX-WOJBJXKFSA-N 2 1 374.529 0.938 10 0 FCAEMP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)c2ccccc2)CC1 ZINC000452395042 249317450 /nfs/dbraw/zinc/31/74/50/249317450.db2.gz VYZMBTJIQIRMAX-WOJBJXKFSA-N 2 1 374.529 0.938 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000931779758 674134096 /nfs/dbraw/zinc/13/40/96/674134096.db2.gz KUYHWJYPUKTWCH-MGBSGCIJSA-N 2 1 350.507 0.820 10 0 FCAEMP C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000931779758 674134094 /nfs/dbraw/zinc/13/40/94/674134094.db2.gz KUYHWJYPUKTWCH-MGBSGCIJSA-N 2 1 350.507 0.820 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000931779758 674134095 /nfs/dbraw/zinc/13/40/95/674134095.db2.gz KUYHWJYPUKTWCH-MGBSGCIJSA-N 2 1 350.507 0.820 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000931818422 674136886 /nfs/dbraw/zinc/13/68/86/674136886.db2.gz FNIKMUUDYJZWCP-ZNMIVQPWSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000931818422 674136887 /nfs/dbraw/zinc/13/68/87/674136887.db2.gz FNIKMUUDYJZWCP-ZNMIVQPWSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000931818422 674136888 /nfs/dbraw/zinc/13/68/88/674136888.db2.gz FNIKMUUDYJZWCP-ZNMIVQPWSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000931818422 674136889 /nfs/dbraw/zinc/13/68/89/674136889.db2.gz FNIKMUUDYJZWCP-ZNMIVQPWSA-N 2 1 368.547 0.671 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000473888326 250254610 /nfs/dbraw/zinc/25/46/10/250254610.db2.gz YMGPTJKROSTDQS-UHFFFAOYSA-N 2 1 353.511 0.666 10 0 FCAEMP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473880254 250255004 /nfs/dbraw/zinc/25/50/04/250255004.db2.gz AFXIJLURBMQYIP-MRXNPFEDSA-N 2 1 353.511 0.524 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473880254 250255009 /nfs/dbraw/zinc/25/50/09/250255009.db2.gz AFXIJLURBMQYIP-MRXNPFEDSA-N 2 1 353.511 0.524 10 0 FCAEMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000481743660 250351462 /nfs/dbraw/zinc/35/14/62/250351462.db2.gz QFJVXPJTLSECLG-IAGOWNOFSA-N 2 1 367.490 0.772 10 0 FCAEMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000481743660 250351465 /nfs/dbraw/zinc/35/14/65/250351465.db2.gz QFJVXPJTLSECLG-IAGOWNOFSA-N 2 1 367.490 0.772 10 0 FCAEMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000481742437 250353039 /nfs/dbraw/zinc/35/30/39/250353039.db2.gz YYIQFRJSDYQGCG-HZPDHXFCSA-N 2 1 355.479 0.629 10 0 FCAEMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000481742437 250353041 /nfs/dbraw/zinc/35/30/41/250353041.db2.gz YYIQFRJSDYQGCG-HZPDHXFCSA-N 2 1 355.479 0.629 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091858382 208140441 /nfs/dbraw/zinc/14/04/41/208140441.db2.gz RPOMCVJELNCFNI-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP COCCC[N@H+](C)CCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000091858382 208140445 /nfs/dbraw/zinc/14/04/45/208140445.db2.gz RPOMCVJELNCFNI-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000091858382 208140449 /nfs/dbraw/zinc/14/04/49/208140449.db2.gz RPOMCVJELNCFNI-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP CNC(=O)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128253 208215887 /nfs/dbraw/zinc/21/58/87/208215887.db2.gz IMJFIMROWHFKGG-KRWDZBQOSA-N 2 1 362.474 0.819 10 0 FCAEMP CNC(=O)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128257 208215973 /nfs/dbraw/zinc/21/59/73/208215973.db2.gz IMJFIMROWHFKGG-QGZVFWFLSA-N 2 1 362.474 0.819 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000108572388 208248363 /nfs/dbraw/zinc/24/83/63/208248363.db2.gz MLUGURKTDSFWPP-KRWDZBQOSA-N 2 1 355.527 0.376 10 0 FCAEMP COCC[NH+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108572388 208248367 /nfs/dbraw/zinc/24/83/67/208248367.db2.gz MLUGURKTDSFWPP-KRWDZBQOSA-N 2 1 355.527 0.376 10 0 FCAEMP COCC[NH+](C)CCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000108572388 208248373 /nfs/dbraw/zinc/24/83/73/208248373.db2.gz MLUGURKTDSFWPP-KRWDZBQOSA-N 2 1 355.527 0.376 10 0 FCAEMP c1ncn([C@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000178637887 209054165 /nfs/dbraw/zinc/05/41/65/209054165.db2.gz UKDRVOBSYSMYTF-ROUUACIJSA-N 2 1 374.493 0.860 10 0 FCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000178755506 209060072 /nfs/dbraw/zinc/06/00/72/209060072.db2.gz CZLQTUFVZHAHIK-QGZVFWFLSA-N 2 1 369.473 0.795 10 0 FCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000178755506 209060076 /nfs/dbraw/zinc/06/00/76/209060076.db2.gz CZLQTUFVZHAHIK-QGZVFWFLSA-N 2 1 369.473 0.795 10 0 FCAEMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000153997663 229186719 /nfs/dbraw/zinc/18/67/19/229186719.db2.gz YWAKLBOLNMJPIF-QRVBRYPASA-N 2 1 354.539 0.170 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960974 229272523 /nfs/dbraw/zinc/27/25/23/229272523.db2.gz KEBREDMHMCPIPR-IXDOHACOSA-N 2 1 356.511 0.848 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960974 229272526 /nfs/dbraw/zinc/27/25/26/229272526.db2.gz KEBREDMHMCPIPR-IXDOHACOSA-N 2 1 356.511 0.848 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960974 229272529 /nfs/dbraw/zinc/27/25/29/229272529.db2.gz KEBREDMHMCPIPR-IXDOHACOSA-N 2 1 356.511 0.848 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960974 229272533 /nfs/dbraw/zinc/27/25/33/229272533.db2.gz KEBREDMHMCPIPR-IXDOHACOSA-N 2 1 356.511 0.848 10 0 FCAEMP 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ZINC000363850040 488892313 /nfs/dbraw/zinc/89/23/13/488892313.db2.gz AQIYGBIMBYJWGW-UHFFFAOYSA-N 2 1 353.470 0.848 10 0 FCAEMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000050993717 488119557 /nfs/dbraw/zinc/11/95/57/488119557.db2.gz SJRAAOKSYNTWAV-OAHLLOKOSA-N 2 1 350.507 0.968 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000073652123 488385689 /nfs/dbraw/zinc/38/56/89/488385689.db2.gz BKCLMHOTESZANG-MSOLQXFVSA-N 2 1 369.554 0.765 10 0 FCAEMP CC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248488972 488497718 /nfs/dbraw/zinc/49/77/18/488497718.db2.gz MSZVZHOEGIAFFB-IXDOHACOSA-N 2 1 355.527 0.109 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248577184 488498122 /nfs/dbraw/zinc/49/81/22/488498122.db2.gz QALRFGFZOBYLDZ-CJNGLKHVSA-N 2 1 369.535 0.919 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249110771 488506317 /nfs/dbraw/zinc/50/63/17/488506317.db2.gz MQBDRAWGGVOFLI-HZPDHXFCSA-N 2 1 356.511 0.584 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249110771 488506319 /nfs/dbraw/zinc/50/63/19/488506319.db2.gz MQBDRAWGGVOFLI-HZPDHXFCSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1CC(C)(C)O ZINC000249352619 488509184 /nfs/dbraw/zinc/50/91/84/488509184.db2.gz KPGIKDSDVRSUJX-NVXWUHKLSA-N 2 1 353.507 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000249352619 488509187 /nfs/dbraw/zinc/50/91/87/488509187.db2.gz KPGIKDSDVRSUJX-NVXWUHKLSA-N 2 1 353.507 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000249352619 488509189 /nfs/dbraw/zinc/50/91/89/488509189.db2.gz KPGIKDSDVRSUJX-NVXWUHKLSA-N 2 1 353.507 0.933 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(C)(C)O ZINC000249352619 488509191 /nfs/dbraw/zinc/50/91/91/488509191.db2.gz KPGIKDSDVRSUJX-NVXWUHKLSA-N 2 1 353.507 0.933 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000261699344 488531296 /nfs/dbraw/zinc/53/12/96/488531296.db2.gz JQEOTYGBGPISAO-HSALFYBXSA-N 2 1 374.529 0.886 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261854968 488538406 /nfs/dbraw/zinc/53/84/06/488538406.db2.gz RUSSCLZITKBMTA-SFHVURJKSA-N 2 1 374.485 0.444 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C1 ZINC000261907262 488541011 /nfs/dbraw/zinc/54/10/11/488541011.db2.gz XAUWONMNPSOJPF-OKZBNKHCSA-N 2 1 352.523 0.757 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262024282 488546484 /nfs/dbraw/zinc/54/64/84/488546484.db2.gz OZGVAYQWPYCJAC-OAGGEKHMSA-N 2 1 350.507 0.905 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2F)CC1 ZINC000262054414 488548248 /nfs/dbraw/zinc/54/82/48/488548248.db2.gz AJOYHBOKCXGQCA-RHSMWYFYSA-N 2 1 350.438 0.278 10 0 FCAEMP CC(C)C[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NCC[NH+](C)C ZINC000120241199 488560812 /nfs/dbraw/zinc/56/08/12/488560812.db2.gz ZZWIOYWIRYLXEK-WBVHZDCISA-N 2 1 367.538 0.862 10 0 FCAEMP CC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000120734808 488562677 /nfs/dbraw/zinc/56/26/77/488562677.db2.gz RVMYUJQSIZURHF-AEFFLSMTSA-N 2 1 362.522 0.505 10 0 FCAEMP CC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1C[C@@H](C)O ZINC000120734808 488562679 /nfs/dbraw/zinc/56/26/79/488562679.db2.gz RVMYUJQSIZURHF-AEFFLSMTSA-N 2 1 362.522 0.505 10 0 FCAEMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123652 488563711 /nfs/dbraw/zinc/56/37/11/488563711.db2.gz SUROVFZWBHAVAX-KBPBESRZSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123652 488563712 /nfs/dbraw/zinc/56/37/12/488563712.db2.gz SUROVFZWBHAVAX-KBPBESRZSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123652 488563713 /nfs/dbraw/zinc/56/37/13/488563713.db2.gz SUROVFZWBHAVAX-KBPBESRZSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000129186913 488629276 /nfs/dbraw/zinc/62/92/76/488629276.db2.gz JNUSMMXHZQVCLJ-WBVHZDCISA-N 2 1 367.538 0.911 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000129186913 488629279 /nfs/dbraw/zinc/62/92/79/488629279.db2.gz JNUSMMXHZQVCLJ-WBVHZDCISA-N 2 1 367.538 0.911 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000129446105 488631212 /nfs/dbraw/zinc/63/12/12/488631212.db2.gz DTMHIDIODVZYCB-IKGGRYGDSA-N 2 1 367.538 0.946 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000129446105 488631215 /nfs/dbraw/zinc/63/12/15/488631215.db2.gz DTMHIDIODVZYCB-IKGGRYGDSA-N 2 1 367.538 0.946 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000129446105 488631216 /nfs/dbraw/zinc/63/12/16/488631216.db2.gz DTMHIDIODVZYCB-IKGGRYGDSA-N 2 1 367.538 0.946 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)C1 ZINC000130726430 488639848 /nfs/dbraw/zinc/63/98/48/488639848.db2.gz UUIXMKSPXODKCM-OWCLPIDISA-N 2 1 354.495 0.093 10 0 FCAEMP CC[NH+](CC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C1CC1 ZINC000152269117 488715369 /nfs/dbraw/zinc/71/53/69/488715369.db2.gz AEUUFNSHXGGKKT-SFHVURJKSA-N 2 1 352.523 0.724 10 0 FCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000154923225 488748599 /nfs/dbraw/zinc/74/85/99/488748599.db2.gz UTWIJHUZTKPURW-KBPBESRZSA-N 2 1 350.467 0.228 10 0 FCAEMP C[NH+](C)[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000170828285 488816460 /nfs/dbraw/zinc/81/64/60/488816460.db2.gz CMHJLFBZSNSBCL-INIZCTEOSA-N 2 1 361.494 0.334 10 0 FCAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000170828284 488816514 /nfs/dbraw/zinc/81/65/14/488816514.db2.gz CMHJLFBZSNSBCL-MRXNPFEDSA-N 2 1 361.494 0.334 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000170941627 488818534 /nfs/dbraw/zinc/81/85/34/488818534.db2.gz QEKKKZKCVPPHJR-OAHLLOKOSA-N 2 1 351.495 0.403 10 0 FCAEMP CN(CCCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000171386454 488822830 /nfs/dbraw/zinc/82/28/30/488822830.db2.gz VNRHSTKJWGXVNH-UHFFFAOYSA-N 2 1 374.551 0.192 10 0 FCAEMP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000171900445 488828214 /nfs/dbraw/zinc/82/82/14/488828214.db2.gz VQZSCWSEVULCIJ-KRWDZBQOSA-N 2 1 358.490 0.823 10 0 FCAEMP COCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000175720273 488855171 /nfs/dbraw/zinc/85/51/71/488855171.db2.gz FQXZIDOWEANENX-WBVHZDCISA-N 2 1 354.495 0.459 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000365513513 489082751 /nfs/dbraw/zinc/08/27/51/489082751.db2.gz 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0.835 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000457641655 489652668 /nfs/dbraw/zinc/65/26/68/489652668.db2.gz DVJKXUPIYBERLR-MRXNPFEDSA-N 2 1 364.490 0.835 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC000417672172 489661291 /nfs/dbraw/zinc/66/12/91/489661291.db2.gz RVPGZDZISOCHAZ-HOTGVXAUSA-N 2 1 354.495 0.507 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000418609500 489709437 /nfs/dbraw/zinc/70/94/37/489709437.db2.gz FQPHSWJLXSKJDQ-MGPQQGTHSA-N 2 1 365.444 0.947 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418827855 489742187 /nfs/dbraw/zinc/74/21/87/489742187.db2.gz HJSKJCZVYREDOV-JKSUJKDBSA-N 2 1 366.506 0.252 10 0 FCAEMP CC(C)(CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000418845326 489753701 /nfs/dbraw/zinc/75/37/01/489753701.db2.gz UXXDXVQHLZKHNT-QGZVFWFLSA-N 2 1 373.501 0.935 10 0 FCAEMP 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ZINC000434701270 489948940 /nfs/dbraw/zinc/94/89/40/489948940.db2.gz DSSGMJSNIBGCIB-IYBDPMFKSA-N 2 1 352.523 0.770 10 0 FCAEMP C[C@@H]1CN(CC[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000434701270 489948941 /nfs/dbraw/zinc/94/89/41/489948941.db2.gz DSSGMJSNIBGCIB-IYBDPMFKSA-N 2 1 352.523 0.770 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000477683861 489984731 /nfs/dbraw/zinc/98/47/31/489984731.db2.gz SKRRYQPAMIWULX-HOCLYGCPSA-N 2 1 350.507 0.966 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000477701385 489985481 /nfs/dbraw/zinc/98/54/81/489985481.db2.gz LAJUSKIKRZCFMC-PBHICJAKSA-N 2 1 350.507 0.824 10 0 FCAEMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000571266697 491296621 /nfs/dbraw/zinc/29/66/21/491296621.db2.gz GAEPJQUBGJVENU-SFHVURJKSA-N 2 1 366.437 0.855 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382750667 490129672 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MSRTYYMNOMHYDW-MRXNPFEDSA-N 2 1 374.533 0.517 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815014 490636879 /nfs/dbraw/zinc/63/68/79/490636879.db2.gz UYZPTNMSJFWICF-HZPDHXFCSA-N 2 1 353.511 0.747 10 0 FCAEMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000525815014 490636883 /nfs/dbraw/zinc/63/68/83/490636883.db2.gz UYZPTNMSJFWICF-HZPDHXFCSA-N 2 1 353.511 0.747 10 0 FCAEMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000525815014 490636885 /nfs/dbraw/zinc/63/68/85/490636885.db2.gz UYZPTNMSJFWICF-HZPDHXFCSA-N 2 1 353.511 0.747 10 0 FCAEMP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000512468080 490683773 /nfs/dbraw/zinc/68/37/73/490683773.db2.gz HZURUKXGSREDRB-MAUKXSAKSA-N 2 1 350.507 0.524 10 0 FCAEMP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000557010253 491349389 /nfs/dbraw/zinc/34/93/89/491349389.db2.gz WDXIFVIJSCCWDR-OAHLLOKOSA-N 2 1 362.449 0.856 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487685467 490725609 /nfs/dbraw/zinc/72/56/09/490725609.db2.gz CQZXNAIXYPGYIS-KZNAEPCWSA-N 2 1 368.522 0.774 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487685464 490725908 /nfs/dbraw/zinc/72/59/08/490725908.db2.gz CQZXNAIXYPGYIS-KURKYZTESA-N 2 1 368.522 0.774 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000514616360 490775663 /nfs/dbraw/zinc/77/56/63/490775663.db2.gz OEDJUOYYBYNPOJ-HNNXBMFYSA-N 2 1 365.522 0.927 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000514736711 490785887 /nfs/dbraw/zinc/78/58/87/490785887.db2.gz QTJOIFYLIJEEEB-INIZCTEOSA-N 2 1 353.511 0.713 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000515255446 490815027 /nfs/dbraw/zinc/81/50/27/490815027.db2.gz CZFARPMLOVVINU-CABCVRRESA-N 2 1 356.511 0.137 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000515255446 490815029 /nfs/dbraw/zinc/81/50/29/490815029.db2.gz CZFARPMLOVVINU-CABCVRRESA-N 2 1 356.511 0.137 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529308515 490849306 /nfs/dbraw/zinc/84/93/06/490849306.db2.gz ULCVJRFFELLDEM-ZWKOTPCHSA-N 2 1 368.522 0.897 10 0 FCAEMP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)S(C)(=O)=O ZINC000516571254 490868935 /nfs/dbraw/zinc/86/89/35/490868935.db2.gz PEAHDVBPYUWYDO-IYBDPMFKSA-N 2 1 374.551 0.094 10 0 FCAEMP O=C(NCc1nccn1CC(F)(F)F)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000516987468 490889741 /nfs/dbraw/zinc/88/97/41/490889741.db2.gz SARZVCCMMDJYSP-UHFFFAOYSA-N 2 1 373.379 0.616 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000517226418 490899913 /nfs/dbraw/zinc/89/99/13/490899913.db2.gz UGPXSZPMFBDIJC-KLAILNCOSA-N 2 1 350.507 0.968 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000517384474 490907039 /nfs/dbraw/zinc/90/70/39/490907039.db2.gz BKRAHECZHDSSGZ-RDJZCZTQSA-N 2 1 366.506 0.156 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000519139127 490962621 /nfs/dbraw/zinc/96/26/21/490962621.db2.gz XXMAYFJLKYKEER-QZTJIDSGSA-N 2 1 371.485 0.641 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000531876522 490978702 /nfs/dbraw/zinc/97/87/02/490978702.db2.gz SAEBFOLVVLWKHS-KRWDZBQOSA-N 2 1 371.551 0.229 10 0 FCAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000519727260 490986763 /nfs/dbraw/zinc/98/67/63/490986763.db2.gz DUSKZPODMAYLRB-UCHQMPSGSA-N 2 1 350.507 0.963 10 0 FCAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000519727260 490986764 /nfs/dbraw/zinc/98/67/64/490986764.db2.gz DUSKZPODMAYLRB-UCHQMPSGSA-N 2 1 350.507 0.963 10 0 FCAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000519727260 490986765 /nfs/dbraw/zinc/98/67/65/490986765.db2.gz DUSKZPODMAYLRB-UCHQMPSGSA-N 2 1 350.507 0.963 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000565315971 491369717 /nfs/dbraw/zinc/36/97/17/491369717.db2.gz SLOOVOVAEMLZMZ-AEFFLSMTSA-N 2 1 360.502 0.734 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000557492678 491378107 /nfs/dbraw/zinc/37/81/07/491378107.db2.gz GCTOASFYZOOWHH-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@H]1C ZINC000557492678 491378109 /nfs/dbraw/zinc/37/81/09/491378109.db2.gz GCTOASFYZOOWHH-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C[C@H]1C ZINC000557492678 491378111 /nfs/dbraw/zinc/37/81/11/491378111.db2.gz GCTOASFYZOOWHH-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000566001406 491411608 /nfs/dbraw/zinc/41/16/08/491411608.db2.gz ADCIGYRFOGYNED-KRWDZBQOSA-N 2 1 368.522 0.546 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000558106935 491414700 /nfs/dbraw/zinc/41/47/00/491414700.db2.gz GAJXSQOEPMLAJA-OAHLLOKOSA-N 2 1 350.507 0.991 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304047 491434018 /nfs/dbraw/zinc/43/40/18/491434018.db2.gz ORTOPQCCAOLDAP-KSZLIROESA-N 3 1 352.523 0.391 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304047 491434019 /nfs/dbraw/zinc/43/40/19/491434019.db2.gz ORTOPQCCAOLDAP-KSZLIROESA-N 3 1 352.523 0.391 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304047 491434020 /nfs/dbraw/zinc/43/40/20/491434020.db2.gz ORTOPQCCAOLDAP-KSZLIROESA-N 3 1 352.523 0.391 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304047 491434021 /nfs/dbraw/zinc/43/40/21/491434021.db2.gz ORTOPQCCAOLDAP-KSZLIROESA-N 2 1 352.523 0.391 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000566304047 491434022 /nfs/dbraw/zinc/43/40/22/491434022.db2.gz ORTOPQCCAOLDAP-KSZLIROESA-N 2 1 352.523 0.391 10 0 FCAEMP CCNC(=O)C1CN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000567625513 491518683 /nfs/dbraw/zinc/51/86/83/491518683.db2.gz RLZDKHVHMHPQLF-UHFFFAOYSA-N 2 1 350.507 0.777 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574823062 491522155 /nfs/dbraw/zinc/52/21/55/491522155.db2.gz GRSUWDFRJQWSCK-SJORKVTESA-N 2 1 365.522 0.855 10 0 FCAEMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000567748733 491526928 /nfs/dbraw/zinc/52/69/28/491526928.db2.gz GWYOSVPOAWMHLO-GOSISDBHSA-N 2 1 374.485 0.393 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574910980 491527289 /nfs/dbraw/zinc/52/72/89/491527289.db2.gz JBPFVEYBLZPRMB-CUSZFKRNSA-N 2 1 360.502 0.815 10 0 FCAEMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000560654946 491549845 /nfs/dbraw/zinc/54/98/45/491549845.db2.gz BHYSJYVGJLWQSK-AWEZNQCLSA-N 2 1 373.457 0.092 10 0 FCAEMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576107908 491581753 /nfs/dbraw/zinc/58/17/53/491581753.db2.gz DBCPKQBCDCZZBU-MELADBBJSA-N 2 1 366.487 0.592 10 0 FCAEMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000576373904 491609003 /nfs/dbraw/zinc/60/90/03/491609003.db2.gz IUNPIEQSURQHFY-GOSISDBHSA-N 2 1 374.485 0.661 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000568848768 491613338 /nfs/dbraw/zinc/61/33/38/491613338.db2.gz PWXXSVKODQSCIA-DLBZAZTESA-N 2 1 358.442 0.177 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000568848768 491613341 /nfs/dbraw/zinc/61/33/41/491613341.db2.gz PWXXSVKODQSCIA-DLBZAZTESA-N 2 1 358.442 0.177 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C2CC3CC(C2)CC1C3 ZINC000576450868 491615883 /nfs/dbraw/zinc/61/58/83/491615883.db2.gz UNGOOIYVPRAMDR-KVZDKTTDSA-N 2 1 374.529 0.999 10 0 FCAEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CN3CCOCC3)c2)CCO1 ZINC000568990695 491624867 /nfs/dbraw/zinc/62/48/67/491624867.db2.gz BHMUDURMTOJUGG-FXAWDEMLSA-N 2 1 363.502 0.690 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CN3CCOCC3)c2)CCO1 ZINC000568990695 491624869 /nfs/dbraw/zinc/62/48/69/491624869.db2.gz BHMUDURMTOJUGG-FXAWDEMLSA-N 2 1 363.502 0.690 10 0 FCAEMP CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000561931874 491640993 /nfs/dbraw/zinc/64/09/93/491640993.db2.gz NHGAGCPDYQTJNC-MRXNPFEDSA-N 2 1 350.507 0.968 10 0 FCAEMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000576943300 491658394 /nfs/dbraw/zinc/65/83/94/491658394.db2.gz BJJXUTYTXTXLEI-IXDOHACOSA-N 2 1 351.491 0.844 10 0 FCAEMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000576943300 491658397 /nfs/dbraw/zinc/65/83/97/491658397.db2.gz BJJXUTYTXTXLEI-IXDOHACOSA-N 2 1 351.491 0.844 10 0 FCAEMP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)Oc2ccccc21 ZINC000580564889 491736556 /nfs/dbraw/zinc/73/65/56/491736556.db2.gz MTYWWVZZVALOPV-XUWVNRHRSA-N 2 1 366.483 0.968 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000580634201 491739534 /nfs/dbraw/zinc/73/95/34/491739534.db2.gz DVCGOEWNDPUKPG-YVSFHVDLSA-N 2 1 366.506 0.345 10 0 FCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000580634201 491739536 /nfs/dbraw/zinc/73/95/36/491739536.db2.gz DVCGOEWNDPUKPG-YVSFHVDLSA-N 2 1 366.506 0.345 10 0 FCAEMP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000580904032 491751165 /nfs/dbraw/zinc/75/11/65/491751165.db2.gz ZWYVKGPWERVBDM-ICSRJNTNSA-N 2 1 363.502 0.832 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000582108415 491798325 /nfs/dbraw/zinc/79/83/25/491798325.db2.gz HNYNAAOXSUDJSW-YVSFHVDLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000582108415 491798326 /nfs/dbraw/zinc/79/83/26/491798326.db2.gz HNYNAAOXSUDJSW-YVSFHVDLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000582108415 491798327 /nfs/dbraw/zinc/79/83/27/491798327.db2.gz HNYNAAOXSUDJSW-YVSFHVDLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000582784741 491826663 /nfs/dbraw/zinc/82/66/63/491826663.db2.gz QZIMWWZLWLSHMM-KRWDZBQOSA-N 2 1 359.474 0.418 10 0 FCAEMP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H]1SC ZINC000592168213 491834932 /nfs/dbraw/zinc/83/49/32/491834932.db2.gz GYZNNPDHNMHKGI-LHHMISFZSA-N 2 1 373.563 0.958 10 0 FCAEMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000583385464 491843901 /nfs/dbraw/zinc/84/39/01/491843901.db2.gz HQYVFFSZHRQNPH-RDJZCZTQSA-N 2 1 363.506 0.963 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000611936287 491884044 /nfs/dbraw/zinc/88/40/44/491884044.db2.gz KZUGVXLQUHESDP-KRWDZBQOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000611936287 491884046 /nfs/dbraw/zinc/88/40/46/491884046.db2.gz KZUGVXLQUHESDP-KRWDZBQOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000611936287 491884048 /nfs/dbraw/zinc/88/40/48/491884048.db2.gz KZUGVXLQUHESDP-KRWDZBQOSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612026718 491891829 /nfs/dbraw/zinc/89/18/29/491891829.db2.gz LXDHPKUXGONBCY-KRWDZBQOSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000612485852 491925005 /nfs/dbraw/zinc/92/50/05/491925005.db2.gz NSEXZVBOEQLIPW-RDJZCZTQSA-N 2 1 350.507 0.918 10 0 FCAEMP COC(=O)CN1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000597186051 492021685 /nfs/dbraw/zinc/02/16/85/492021685.db2.gz DSOCWJYUZHLLJC-IBGZPJMESA-N 2 1 361.486 0.980 10 0 FCAEMP CCC(=O)N1CCCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000614357667 492025891 /nfs/dbraw/zinc/02/58/91/492025891.db2.gz SWIXZUXAQUCKPD-QGZVFWFLSA-N 2 1 368.522 0.404 10 0 FCAEMP CCC(=O)N1CCCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000614357667 492025892 /nfs/dbraw/zinc/02/58/92/492025892.db2.gz SWIXZUXAQUCKPD-QGZVFWFLSA-N 2 1 368.522 0.404 10 0 FCAEMP C[C@H]1COCCN1C1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000615089233 492072406 /nfs/dbraw/zinc/07/24/06/492072406.db2.gz IBWGFXHQIQNFTD-INIZCTEOSA-N 2 1 351.491 0.953 10 0 FCAEMP CCN(C(=O)CSCC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000597944988 492074280 /nfs/dbraw/zinc/07/42/80/492074280.db2.gz FWAVSBBPHUAAIJ-IYBDPMFKSA-N 2 1 370.563 0.825 10 0 FCAEMP CCN(C(=O)CSCC(=O)N(CC)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000597944988 492074282 /nfs/dbraw/zinc/07/42/82/492074282.db2.gz FWAVSBBPHUAAIJ-IYBDPMFKSA-N 2 1 370.563 0.825 10 0 FCAEMP CCN(C(=O)CSCC(=O)N(CC)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944988 492074285 /nfs/dbraw/zinc/07/42/85/492074285.db2.gz FWAVSBBPHUAAIJ-IYBDPMFKSA-N 2 1 370.563 0.825 10 0 FCAEMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145587 492075936 /nfs/dbraw/zinc/07/59/36/492075936.db2.gz DIHDGQUKBIAQFR-UHFFFAOYSA-N 2 1 373.501 0.384 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000617503650 492172073 /nfs/dbraw/zinc/17/20/73/492172073.db2.gz SMZYMVPXGZEGST-ARFHVFGLSA-N 2 1 366.506 0.550 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000617503650 492172075 /nfs/dbraw/zinc/17/20/75/492172075.db2.gz SMZYMVPXGZEGST-ARFHVFGLSA-N 2 1 366.506 0.550 10 0 FCAEMP Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504637 492172949 /nfs/dbraw/zinc/17/29/49/492172949.db2.gz CNTZFWJZIMFNPS-NSHDSACASA-N 2 1 374.507 0.546 10 0 FCAEMP Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504637 492172951 /nfs/dbraw/zinc/17/29/51/492172951.db2.gz CNTZFWJZIMFNPS-NSHDSACASA-N 2 1 374.507 0.546 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCn1nnc2ccccc2c1=O ZINC000617504444 492173105 /nfs/dbraw/zinc/17/31/05/492173105.db2.gz WAJKQGQDUPSAOF-HNNXBMFYSA-N 2 1 374.489 0.570 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCn1nnc2ccccc2c1=O ZINC000617504444 492173107 /nfs/dbraw/zinc/17/31/07/492173107.db2.gz WAJKQGQDUPSAOF-HNNXBMFYSA-N 2 1 374.489 0.570 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COCCN1CC(F)F ZINC000617507427 492173208 /nfs/dbraw/zinc/17/32/08/492173208.db2.gz WIDZSBZBDVDBRG-UONOGXRCSA-N 2 1 350.454 0.341 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1COCCN1CC(F)F ZINC000617507427 492173210 /nfs/dbraw/zinc/17/32/10/492173210.db2.gz WIDZSBZBDVDBRG-UONOGXRCSA-N 2 1 350.454 0.341 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000617505182 492173357 /nfs/dbraw/zinc/17/33/57/492173357.db2.gz XHYOPGMCQFHHJT-NSHDSACASA-N 2 1 362.521 0.397 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000617505182 492173358 /nfs/dbraw/zinc/17/33/58/492173358.db2.gz XHYOPGMCQFHHJT-NSHDSACASA-N 2 1 362.521 0.397 10 0 FCAEMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nnn1-c1ccn(C)n1 ZINC000617508049 492173691 /nfs/dbraw/zinc/17/36/91/492173691.db2.gz SQYCGVREMBHFGF-ZDUSSCGKSA-N 2 1 362.482 0.311 10 0 FCAEMP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nnn1-c1ccn(C)n1 ZINC000617508049 492173693 /nfs/dbraw/zinc/17/36/93/492173693.db2.gz SQYCGVREMBHFGF-ZDUSSCGKSA-N 2 1 362.482 0.311 10 0 FCAEMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000618307725 492222015 /nfs/dbraw/zinc/22/20/15/492222015.db2.gz QUCAAAYZPNZAFH-UHFFFAOYSA-N 2 1 360.502 0.913 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654379298 492296422 /nfs/dbraw/zinc/29/64/22/492296422.db2.gz UQZACDSUAIVYLU-FZNQNYSPSA-N 2 1 353.511 0.616 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](Cc2ccccc2)C1 ZINC000627446836 492299312 /nfs/dbraw/zinc/29/93/12/492299312.db2.gz VPIKZWKQRHBNFN-QZTJIDSGSA-N 2 1 370.497 0.773 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](Cc2ccccc2)C1 ZINC000627446836 492299316 /nfs/dbraw/zinc/29/93/16/492299316.db2.gz VPIKZWKQRHBNFN-QZTJIDSGSA-N 2 1 370.497 0.773 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627458452 492303570 /nfs/dbraw/zinc/30/35/70/492303570.db2.gz GUCVCZAWCWQLPY-FGTMMUONSA-N 2 1 358.486 0.976 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000627457179 492303967 /nfs/dbraw/zinc/30/39/67/492303967.db2.gz NIHMJUVKARYZLC-JKSUJKDBSA-N 2 1 364.515 0.692 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627456993 492304077 /nfs/dbraw/zinc/30/40/77/492304077.db2.gz GAAJJOVNHYJTLD-OVYGPGRDSA-N 2 1 366.506 0.343 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000627464502 492307093 /nfs/dbraw/zinc/30/70/93/492307093.db2.gz DIFXZKXHXXEFMR-UHFFFAOYSA-N 2 1 364.446 0.112 10 0 FCAEMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561282 492308441 /nfs/dbraw/zinc/30/84/41/492308441.db2.gz IHRKCHZJLWIZDF-MRXNPFEDSA-N 2 1 366.506 0.108 10 0 FCAEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561282 492308445 /nfs/dbraw/zinc/30/84/45/492308445.db2.gz IHRKCHZJLWIZDF-MRXNPFEDSA-N 2 1 366.506 0.108 10 0 FCAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473251 492311634 /nfs/dbraw/zinc/31/16/34/492311634.db2.gz JXNVNXIMQVDVMZ-FUHWJXTLSA-N 2 1 374.485 0.214 10 0 FCAEMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654493242 492311903 /nfs/dbraw/zinc/31/19/03/492311903.db2.gz IKLVBAJQUYJBLA-YLFCFFPRSA-N 2 1 352.479 0.090 10 0 FCAEMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654493242 492311908 /nfs/dbraw/zinc/31/19/08/492311908.db2.gz IKLVBAJQUYJBLA-YLFCFFPRSA-N 2 1 352.479 0.090 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[NH2+]1 ZINC000627476241 492313494 /nfs/dbraw/zinc/31/34/94/492313494.db2.gz CIRNHDLIHVXIQK-LSDHHAIUSA-N 2 1 364.515 0.692 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627476964 492314846 /nfs/dbraw/zinc/31/48/46/492314846.db2.gz OKMOARADLDZTOB-UHDSXZAQSA-N 2 1 366.506 0.343 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627476964 492314848 /nfs/dbraw/zinc/31/48/48/492314848.db2.gz OKMOARADLDZTOB-UHDSXZAQSA-N 2 1 366.506 0.343 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000627503695 492325893 /nfs/dbraw/zinc/32/58/93/492325893.db2.gz XTQDWNXOZRIYPM-RYQLBKOJSA-N 2 1 358.486 0.628 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000647594600 492330764 /nfs/dbraw/zinc/33/07/64/492330764.db2.gz VVGUNPPQGWUDSX-QGZVFWFLSA-N 2 1 355.442 0.783 10 0 FCAEMP CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C[C@H](C)[NH2+]1 ZINC000620903311 492343782 /nfs/dbraw/zinc/34/37/82/492343782.db2.gz MFHPKDRLLSXNCQ-YLFCFFPRSA-N 2 1 350.507 0.918 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000647691434 492346162 /nfs/dbraw/zinc/34/61/62/492346162.db2.gz OTARXXSOABNLQL-FQEVSTJZSA-N 2 1 374.529 0.767 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640938 492369400 /nfs/dbraw/zinc/36/94/00/492369400.db2.gz OWPMWCLZDIGKQG-KZNAEPCWSA-N 2 1 358.486 0.868 10 0 FCAEMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907558 492375459 /nfs/dbraw/zinc/37/54/59/492375459.db2.gz LCUPYAAXXYSPKF-JKSUJKDBSA-N 2 1 360.458 0.007 10 0 FCAEMP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000642993872 492413206 /nfs/dbraw/zinc/41/32/06/492413206.db2.gz IAGWUCIRIVNRDK-CQSZACIVSA-N 2 1 368.428 0.820 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000642993872 492413207 /nfs/dbraw/zinc/41/32/07/492413207.db2.gz IAGWUCIRIVNRDK-CQSZACIVSA-N 2 1 368.428 0.820 10 0 FCAEMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295692 492427581 /nfs/dbraw/zinc/42/75/81/492427581.db2.gz GUFDABRRUSSYNP-UHOSZYNNSA-N 2 1 359.470 0.462 10 0 FCAEMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295692 492427584 /nfs/dbraw/zinc/42/75/84/492427584.db2.gz GUFDABRRUSSYNP-UHOSZYNNSA-N 2 1 359.470 0.462 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000643483978 492478432 /nfs/dbraw/zinc/47/84/32/492478432.db2.gz XGZUYRXYKRFNQM-SZMVWBNQSA-N 2 1 374.485 0.294 10 0 FCAEMP C[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824751 492481125 /nfs/dbraw/zinc/48/11/25/492481125.db2.gz OMEISJCOODDSFO-YESZJQIVSA-N 2 1 362.522 0.816 10 0 FCAEMP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656219027 492565321 /nfs/dbraw/zinc/56/53/21/492565321.db2.gz KAVUUZULPQFMRZ-JKSUJKDBSA-N 2 1 368.485 0.637 10 0 FCAEMP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656219027 492565324 /nfs/dbraw/zinc/56/53/24/492565324.db2.gz KAVUUZULPQFMRZ-JKSUJKDBSA-N 2 1 368.485 0.637 10 0 FCAEMP CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656259471 492567136 /nfs/dbraw/zinc/56/71/36/492567136.db2.gz IUDIBSADSDHMTF-XIRDDKMYSA-N 2 1 359.536 0.937 10 0 FCAEMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656296789 492575025 /nfs/dbraw/zinc/57/50/25/492575025.db2.gz OGSWQTOGHGRTFP-SJORKVTESA-N 2 1 366.506 0.348 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623663942 492579991 /nfs/dbraw/zinc/57/99/91/492579991.db2.gz IUQQVNVMCNQJJE-UHFFFAOYSA-N 2 1 356.511 0.851 10 0 FCAEMP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624082108 492619594 /nfs/dbraw/zinc/61/95/94/492619594.db2.gz MHHNCSJWBICUJL-HKUYNNGSSA-N 2 1 353.507 0.445 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692045 492641921 /nfs/dbraw/zinc/64/19/21/492641921.db2.gz YNZHVOLTTKXSBX-IAGOWNOFSA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692045 492641923 /nfs/dbraw/zinc/64/19/23/492641923.db2.gz YNZHVOLTTKXSBX-IAGOWNOFSA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)C1 ZINC000656692045 492641926 /nfs/dbraw/zinc/64/19/26/492641926.db2.gz YNZHVOLTTKXSBX-IAGOWNOFSA-N 2 1 353.507 0.839 10 0 FCAEMP CC(C)Nc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc(NCCO)[nH+]1 ZINC000624492707 492653583 /nfs/dbraw/zinc/65/35/83/492653583.db2.gz SVIGRAWCNHVUIP-OAHLLOKOSA-N 2 1 363.510 0.181 10 0 FCAEMP CC(C)Nc1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(NCCO)[nH+]1 ZINC000624492707 492653586 /nfs/dbraw/zinc/65/35/86/492653586.db2.gz SVIGRAWCNHVUIP-OAHLLOKOSA-N 2 1 363.510 0.181 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1=O ZINC000650641586 492657574 /nfs/dbraw/zinc/65/75/74/492657574.db2.gz DBXSAKIVLBUUEK-UHFFFAOYSA-N 2 1 373.501 0.460 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650657061 492658597 /nfs/dbraw/zinc/65/85/97/492658597.db2.gz MQEKCIJWCMJGDY-KRWDZBQOSA-N 2 1 367.538 0.914 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650730863 492664600 /nfs/dbraw/zinc/66/46/00/492664600.db2.gz JLMVJWACMREFBJ-HZPDHXFCSA-N 2 1 353.511 0.522 10 0 FCAEMP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000657579848 492762599 /nfs/dbraw/zinc/76/25/99/492762599.db2.gz XZQQYRYTXHQEQZ-RCCFBDPRSA-N 2 1 363.506 0.884 10 0 FCAEMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625472301 492792026 /nfs/dbraw/zinc/79/20/26/492792026.db2.gz PPYUHJIULZIUGR-MRXNPFEDSA-N 2 1 354.495 0.156 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552297 492818155 /nfs/dbraw/zinc/81/81/55/492818155.db2.gz NOVLHNVABDGHFW-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625552297 492818158 /nfs/dbraw/zinc/81/81/58/492818158.db2.gz NOVLHNVABDGHFW-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625552297 492818162 /nfs/dbraw/zinc/81/81/62/492818162.db2.gz NOVLHNVABDGHFW-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 FCAEMP O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)CC2)N1 ZINC000658134349 492843298 /nfs/dbraw/zinc/84/32/98/492843298.db2.gz AKZJHNPVOLQTTG-OHTSDLOESA-N 2 1 372.469 0.864 10 0 FCAEMP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820900 492858913 /nfs/dbraw/zinc/85/89/13/492858913.db2.gz JVUQKOGYKUSPMH-CYBMUJFWSA-N 2 1 364.412 0.541 10 0 FCAEMP CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820900 492858915 /nfs/dbraw/zinc/85/89/15/492858915.db2.gz JVUQKOGYKUSPMH-CYBMUJFWSA-N 2 1 364.412 0.541 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839871 492859490 /nfs/dbraw/zinc/85/94/90/492859490.db2.gz LWROJGDWVDRYOX-VQIMIIECSA-N 2 1 360.502 0.662 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839871 492859493 /nfs/dbraw/zinc/85/94/93/492859493.db2.gz LWROJGDWVDRYOX-VQIMIIECSA-N 2 1 360.502 0.662 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631914728 492880785 /nfs/dbraw/zinc/88/07/85/492880785.db2.gz WENOQXHXTVAOME-OIISXLGYSA-N 2 1 353.488 0.730 10 0 FCAEMP CCO[C@@H]1CN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652123963 492883012 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CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626986209 493075942 /nfs/dbraw/zinc/07/59/42/493075942.db2.gz DGIAFRDILUFMDQ-YTQUADARSA-N 2 1 351.539 0.901 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658830144 493076696 /nfs/dbraw/zinc/07/66/96/493076696.db2.gz QGUAYHFTJWEGDR-QGZVFWFLSA-N 2 1 359.474 0.673 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000632724815 493077843 /nfs/dbraw/zinc/07/78/43/493077843.db2.gz SVNZGIQJECKYHG-UHFFFAOYSA-N 2 1 350.507 0.873 10 0 FCAEMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627041330 493083927 /nfs/dbraw/zinc/08/39/27/493083927.db2.gz KTHISMCPCMLSTK-MRXNPFEDSA-N 2 1 368.526 0.459 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163803 493098876 /nfs/dbraw/zinc/09/88/76/493098876.db2.gz XOJQZWTTYBTATI-MRXNPFEDSA-N 3 1 355.527 0.552 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 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/nfs/dbraw/zinc/11/92/09/493119209.db2.gz DHCBSQAZSJTCOQ-IAGOWNOFSA-N 2 1 359.474 0.115 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633099104 493123934 /nfs/dbraw/zinc/12/39/34/493123934.db2.gz IJRINNHHMORNNT-CABCVRRESA-N 2 1 354.495 0.020 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633099104 493123940 /nfs/dbraw/zinc/12/39/40/493123940.db2.gz IJRINNHHMORNNT-CABCVRRESA-N 2 1 354.495 0.020 10 0 FCAEMP C[C@@H](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646918154 493127025 /nfs/dbraw/zinc/12/70/25/493127025.db2.gz OEWLUHMIHQQTDF-ZKXLYKBJSA-N 2 1 362.518 0.728 10 0 FCAEMP C[C@@H](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646918154 493127028 /nfs/dbraw/zinc/12/70/28/493127028.db2.gz OEWLUHMIHQQTDF-ZKXLYKBJSA-N 2 1 362.518 0.728 10 0 FCAEMP C[C@@H](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646918154 493127034 /nfs/dbraw/zinc/12/70/34/493127034.db2.gz OEWLUHMIHQQTDF-ZKXLYKBJSA-N 2 1 362.518 0.728 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024484 493127363 /nfs/dbraw/zinc/12/73/63/493127363.db2.gz DUPQOAQCIHZEKP-HUUCEWRRSA-N 2 1 373.423 0.991 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024484 493127364 /nfs/dbraw/zinc/12/73/64/493127364.db2.gz DUPQOAQCIHZEKP-HUUCEWRRSA-N 2 1 373.423 0.991 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000627290204 493135990 /nfs/dbraw/zinc/13/59/90/493135990.db2.gz HXWISHQHTHVOKB-JKSUJKDBSA-N 2 1 366.506 0.394 10 0 FCAEMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627292490 493136782 /nfs/dbraw/zinc/13/67/82/493136782.db2.gz VZKAGOUEFZZNBP-IRXDYDNUSA-N 2 1 356.470 0.778 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)nc(C)[nH+]1 ZINC000627315090 493148182 /nfs/dbraw/zinc/14/81/82/493148182.db2.gz 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358.486 0.806 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000627339149 493161237 /nfs/dbraw/zinc/16/12/37/493161237.db2.gz AMGOKZHTSMNBIL-FHLIZLRMSA-N 2 1 358.486 0.806 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000627357679 493174437 /nfs/dbraw/zinc/17/44/37/493174437.db2.gz MVBDTIBDYIGFSM-KBPBESRZSA-N 2 1 350.488 0.868 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627357489 493175037 /nfs/dbraw/zinc/17/50/37/493175037.db2.gz HSPDPWCPLMJBPX-XHSDSOJGSA-N 2 1 350.507 0.871 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659444715 493180299 /nfs/dbraw/zinc/18/02/99/493180299.db2.gz IJANUYMWJOBVHA-IAGOWNOFSA-N 2 1 364.469 0.674 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627366375 493180991 /nfs/dbraw/zinc/18/09/91/493180991.db2.gz QHCCINLCPXEUBQ-KBAYOESNSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000627365796 493181263 /nfs/dbraw/zinc/18/12/63/493181263.db2.gz ZFDFPQWXKKLCLC-SOLBZPMBSA-N 2 1 373.501 0.180 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627367444 493183054 /nfs/dbraw/zinc/18/30/54/493183054.db2.gz UNTCXOOECPEQSH-BZZMCLGOSA-N 2 1 358.486 0.880 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627376313 493187300 /nfs/dbraw/zinc/18/73/00/493187300.db2.gz YBSJQJFXPLFFPO-BBRMVZONSA-N 2 1 359.474 0.863 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000627388518 493195615 /nfs/dbraw/zinc/19/56/15/493195615.db2.gz XUKZYCCBPMBVQA-DOTOQJQBSA-N 2 1 374.485 0.390 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000627388291 493195698 /nfs/dbraw/zinc/19/56/98/493195698.db2.gz QXDKMPPGJCKFKM-DOTOQJQBSA-N 2 1 362.474 0.118 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000627388293 493196511 /nfs/dbraw/zinc/19/65/11/493196511.db2.gz QXDKMPPGJCKFKM-RDJZCZTQSA-N 2 1 362.474 0.118 10 0 FCAEMP CN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659364735 493198467 /nfs/dbraw/zinc/19/84/67/493198467.db2.gz XUWIIIHRFJHHMK-QGZVFWFLSA-N 2 1 357.458 0.425 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672543345 493201766 /nfs/dbraw/zinc/20/17/66/493201766.db2.gz FWNYMNYFSHAIMX-ZBFHGGJFSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672543345 493201768 /nfs/dbraw/zinc/20/17/68/493201768.db2.gz FWNYMNYFSHAIMX-ZBFHGGJFSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659611970 493220913 /nfs/dbraw/zinc/22/09/13/493220913.db2.gz UTLRTDWPUCGORY-ZJIFWQFVSA-N 2 1 352.479 0.387 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000659625989 493221875 /nfs/dbraw/zinc/22/18/75/493221875.db2.gz BDDXCKFJBWYEOX-GASCZTMLSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000666756281 493222194 /nfs/dbraw/zinc/22/21/94/493222194.db2.gz IYCFKLZJJNASTL-QGZVFWFLSA-N 2 1 367.538 0.912 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1F ZINC000659680133 493248426 /nfs/dbraw/zinc/24/84/26/493248426.db2.gz AGZFSARGOJWUNR-UHFFFAOYSA-N 2 1 371.416 0.804 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000659683258 493250154 /nfs/dbraw/zinc/25/01/54/493250154.db2.gz WVYYJFKGXGWICK-HITAIPBASA-N 2 1 366.506 0.108 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H](C)C1 ZINC000659683378 493250765 /nfs/dbraw/zinc/25/07/65/493250765.db2.gz XJWQQCOQVWZIJH-HITAIPBASA-N 2 1 366.506 0.189 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659687059 493253659 /nfs/dbraw/zinc/25/36/59/493253659.db2.gz PRDXTSRXQZXXIT-OHTSDLOESA-N 2 1 356.470 0.717 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659689119 493254536 /nfs/dbraw/zinc/25/45/36/493254536.db2.gz SQXHALVWAVZWQD-MPQSDHOMSA-N 2 1 370.497 0.535 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000659691394 493255979 /nfs/dbraw/zinc/25/59/79/493255979.db2.gz PIMWWGFRSDWMGH-BQTBQCLESA-N 2 1 356.470 0.418 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000659691394 493255981 /nfs/dbraw/zinc/25/59/81/493255981.db2.gz PIMWWGFRSDWMGH-BQTBQCLESA-N 2 1 356.470 0.418 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000659691368 493256113 /nfs/dbraw/zinc/25/61/13/493256113.db2.gz HVCPKKLXEGGSEP-UHFFFAOYSA-N 2 1 372.469 0.085 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000659694228 493257820 /nfs/dbraw/zinc/25/78/20/493257820.db2.gz SALPAKLWYARKRI-PVAVHDDUSA-N 2 1 362.518 0.966 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659695449 493257888 /nfs/dbraw/zinc/25/78/88/493257888.db2.gz XRQHVNOLTAPKCF-KYJSFNMBSA-N 2 1 362.518 0.824 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000659701406 493261641 /nfs/dbraw/zinc/26/16/41/493261641.db2.gz DLHICCIXRMLXOU-QAPCUYQASA-N 2 1 362.518 0.991 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706405 493264236 /nfs/dbraw/zinc/26/42/36/493264236.db2.gz KSPYXVMCNBQGJT-IRXDYDNUSA-N 2 1 366.506 0.062 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000659706022 493264251 /nfs/dbraw/zinc/26/42/51/493264251.db2.gz CSDQFSUORKWJHH-QMCVQRASSA-N 2 1 362.449 0.663 10 0 FCAEMP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659715360 493268881 /nfs/dbraw/zinc/26/88/81/493268881.db2.gz PAKQEBDHQGVDHG-RDJZCZTQSA-N 2 1 358.486 0.868 10 0 FCAEMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)C1 ZINC000659739364 493280570 /nfs/dbraw/zinc/28/05/70/493280570.db2.gz RNNOFNKUEUKMIV-DOTOQJQBSA-N 2 1 374.485 0.769 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)C1 ZINC000659739364 493280573 /nfs/dbraw/zinc/28/05/73/493280573.db2.gz RNNOFNKUEUKMIV-DOTOQJQBSA-N 2 1 374.485 0.769 10 0 FCAEMP CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000659739053 493280674 /nfs/dbraw/zinc/28/06/74/493280674.db2.gz MCKATDYNCPACSK-HUUCEWRRSA-N 2 1 364.490 0.086 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000673046358 493284130 /nfs/dbraw/zinc/28/41/30/493284130.db2.gz YVKXRDLFNLZUOL-KRWDZBQOSA-N 2 1 353.507 0.937 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCc1nccn1C ZINC000667812480 493303099 /nfs/dbraw/zinc/30/30/99/493303099.db2.gz NWDWDNJIRRZLDX-MRXNPFEDSA-N 2 1 351.495 0.811 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000667812640 493303224 /nfs/dbraw/zinc/30/32/24/493303224.db2.gz SHYWLPXUIMORTR-CABCVRRESA-N 2 1 363.510 0.085 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652942 493369942 /nfs/dbraw/zinc/36/99/42/493369942.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 2 1 366.550 0.877 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660652942 493369944 /nfs/dbraw/zinc/36/99/44/493369944.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 2 1 366.550 0.877 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660652942 493369949 /nfs/dbraw/zinc/36/99/49/493369949.db2.gz MVWVGVFJOWWUTG-UYAOXDASSA-N 2 1 366.550 0.877 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000668549299 493374938 /nfs/dbraw/zinc/37/49/38/493374938.db2.gz WWHNONRPRUYMBK-NVXWUHKLSA-N 2 1 366.506 0.156 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@@H]2CCO)C1 ZINC000661490145 493442814 /nfs/dbraw/zinc/44/28/14/493442814.db2.gz QLGAJUDKJVQDFX-KSZLIROESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)C1 ZINC000661490145 493442817 /nfs/dbraw/zinc/44/28/17/493442817.db2.gz QLGAJUDKJVQDFX-KSZLIROESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CCO)C1 ZINC000661490145 493442820 /nfs/dbraw/zinc/44/28/20/493442820.db2.gz QLGAJUDKJVQDFX-KSZLIROESA-N 2 1 355.523 0.942 10 0 FCAEMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685122580 493449457 /nfs/dbraw/zinc/44/94/57/493449457.db2.gz FMJXUALWMMEKBO-CRAIPNDOSA-N 2 1 373.501 0.934 10 0 FCAEMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000675090531 493466815 /nfs/dbraw/zinc/46/68/15/493466815.db2.gz ZEMGMZHEHIRWIQ-MRXNPFEDSA-N 2 1 354.495 0.202 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000669274860 493488370 /nfs/dbraw/zinc/48/83/70/493488370.db2.gz UTYRIFAHZRVIRN-GVDBMIGSSA-N 2 1 366.506 0.033 10 0 FCAEMP O=C(CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCc2ccccc21 ZINC000662261567 493500793 /nfs/dbraw/zinc/50/07/93/493500793.db2.gz ZXUKVQSTXOLPOS-SFHVURJKSA-N 2 1 370.497 0.714 10 0 FCAEMP O=C(CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCCCCC1 ZINC000662259984 493500812 /nfs/dbraw/zinc/50/08/12/493500812.db2.gz DJIGREAYKZAWJP-KRWDZBQOSA-N 2 1 350.507 0.528 10 0 FCAEMP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494737 493507309 /nfs/dbraw/zinc/50/73/09/493507309.db2.gz IRDPSWXDZLNEAG-WMZOPIPTSA-N 2 1 374.485 0.660 10 0 FCAEMP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494737 493507310 /nfs/dbraw/zinc/50/73/10/493507310.db2.gz IRDPSWXDZLNEAG-WMZOPIPTSA-N 2 1 374.485 0.660 10 0 FCAEMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662342048 493508506 /nfs/dbraw/zinc/50/85/06/493508506.db2.gz VIBBONATDPLCQW-AWEZNQCLSA-N 2 1 369.263 0.339 10 0 FCAEMP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662450831 493516720 /nfs/dbraw/zinc/51/67/20/493516720.db2.gz GNGOTORHYXVIRE-INIZCTEOSA-N 2 1 354.495 0.141 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000676098913 493525004 /nfs/dbraw/zinc/52/50/04/493525004.db2.gz HGEHAEULGGVVIS-HOCLYGCPSA-N 2 1 364.494 0.714 10 0 FCAEMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662705747 493533239 /nfs/dbraw/zinc/53/32/39/493533239.db2.gz SSLCERTWXFLEPO-DJIMGWMZSA-N 2 1 374.489 0.403 10 0 FCAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662934458 493556283 /nfs/dbraw/zinc/55/62/83/493556283.db2.gz VPQZLPIFLSQIMM-MPQSDHOMSA-N 2 1 370.497 0.917 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578988 493609341 /nfs/dbraw/zinc/60/93/41/493609341.db2.gz OAEGXQVTKMFJBP-PMPSAXMXSA-N 2 1 371.526 0.097 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578988 493609343 /nfs/dbraw/zinc/60/93/43/493609343.db2.gz OAEGXQVTKMFJBP-PMPSAXMXSA-N 2 1 371.526 0.097 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnc2n1CCCC2 ZINC000663726210 493614946 /nfs/dbraw/zinc/61/49/46/493614946.db2.gz KSWREUUVWPIJHG-AWEZNQCLSA-N 2 1 351.499 0.686 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnc2n1CCCC2 ZINC000663726210 493614948 /nfs/dbraw/zinc/61/49/48/493614948.db2.gz KSWREUUVWPIJHG-AWEZNQCLSA-N 2 1 351.499 0.686 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000670981605 493618774 /nfs/dbraw/zinc/61/87/74/493618774.db2.gz UEQFGJYILRGIAT-HZPDHXFCSA-N 2 1 350.438 0.755 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](C)C1 ZINC000671103226 493634118 /nfs/dbraw/zinc/63/41/18/493634118.db2.gz 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COC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001488891387 1208558286 /nfs/dbraw/zinc/55/82/86/1208558286.db2.gz OJJZCAAMWGPSLF-CEXWTWQISA-N 2 1 361.486 0.674 10 0 FCAEMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001488960380 1208574775 /nfs/dbraw/zinc/57/47/75/1208574775.db2.gz IMISKWMIQFWIQK-GVDBMIGSSA-N 2 1 350.507 0.825 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001488940010 1208578187 /nfs/dbraw/zinc/57/81/87/1208578187.db2.gz OCPQYNSGBZWKKD-HRCADAONSA-N 2 1 368.503 0.501 10 0 FCAEMP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1OCC ZINC001489021303 1208609979 /nfs/dbraw/zinc/60/99/79/1208609979.db2.gz YMPHVWPWSUNKBC-LMMKCTJWSA-N 2 1 353.507 0.962 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001489133842 1208636655 /nfs/dbraw/zinc/63/66/55/1208636655.db2.gz YHPWUZMHQAIPSR-DLBZAZTESA-N 2 1 350.507 0.824 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC)CC[C@@H]2C1 ZINC001489192365 1208654869 /nfs/dbraw/zinc/65/48/69/1208654869.db2.gz YKSKSYPSJGKWAV-IKGGRYGDSA-N 2 1 350.507 0.777 10 0 FCAEMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC)CC[C@@H]2C1 ZINC001489192365 1208654870 /nfs/dbraw/zinc/65/48/70/1208654870.db2.gz YKSKSYPSJGKWAV-IKGGRYGDSA-N 2 1 350.507 0.777 10 0 FCAEMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC)CC[C@@H]2C1 ZINC001489192365 1208654872 /nfs/dbraw/zinc/65/48/72/1208654872.db2.gz YKSKSYPSJGKWAV-IKGGRYGDSA-N 2 1 350.507 0.777 10 0 FCAEMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001489304889 1208738099 /nfs/dbraw/zinc/73/80/99/1208738099.db2.gz DGCIIWOCAPGNBP-IJEWVQPXSA-N 2 1 367.494 0.094 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001489276658 1208754124 /nfs/dbraw/zinc/75/41/24/1208754124.db2.gz UXXDMHFAGMUXQR-WBVHZDCISA-N 2 1 366.506 0.347 10 0 FCAEMP C[N@@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001489878281 1209137757 /nfs/dbraw/zinc/13/77/57/1209137757.db2.gz HENOJBAHTUDNDY-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001489878281 1209137763 /nfs/dbraw/zinc/13/77/63/1209137763.db2.gz HENOJBAHTUDNDY-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001489878281 1209137777 /nfs/dbraw/zinc/13/77/77/1209137777.db2.gz HENOJBAHTUDNDY-HRCADAONSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]3C2)C1 ZINC001490050554 1209228285 /nfs/dbraw/zinc/22/82/85/1209228285.db2.gz BFNGZKKCQAEYHQ-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)CCC[NH+](C)C ZINC001490111149 1209237214 /nfs/dbraw/zinc/23/72/14/1209237214.db2.gz OFSFBRIUIPAHII-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001490237842 1209283563 /nfs/dbraw/zinc/28/35/63/1209283563.db2.gz MQLKGZJWBBAASP-TXPKVOOTSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850808556 1209490530 /nfs/dbraw/zinc/49/05/30/1209490530.db2.gz WQUHXEHCKZYLBQ-YOEHRIQHSA-N 2 1 360.458 0.887 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852863855 1209568233 /nfs/dbraw/zinc/56/82/33/1209568233.db2.gz JRKMAPKLRCOVJS-DZGCQCFKSA-N 2 1 359.430 0.426 10 0 FCAEMP CN(C(=O)c1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000852870070 1209570664 /nfs/dbraw/zinc/57/06/64/1209570664.db2.gz AFSIEYWXBMJMQN-JKSUJKDBSA-N 2 1 373.457 0.895 10 0 FCAEMP CN1CC[NH+](CCOc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852872751 1209571435 /nfs/dbraw/zinc/57/14/35/1209571435.db2.gz LQORGJZSGAEDOQ-INIZCTEOSA-N 2 1 361.446 0.355 10 0 FCAEMP CN1CC[N@@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000852872585 1209571969 /nfs/dbraw/zinc/57/19/69/1209571969.db2.gz IJJTYGWLLJWHOO-AEFFLSMTSA-N 2 1 359.474 0.585 10 0 FCAEMP C[N@@H+]1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000852872585 1209571976 /nfs/dbraw/zinc/57/19/76/1209571976.db2.gz IJJTYGWLLJWHOO-AEFFLSMTSA-N 2 1 359.474 0.585 10 0 FCAEMP C[N@H+]1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000852872585 1209571980 /nfs/dbraw/zinc/57/19/80/1209571980.db2.gz IJJTYGWLLJWHOO-AEFFLSMTSA-N 2 1 359.474 0.585 10 0 FCAEMP CCNC(=O)NC(=O)CN1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856593947 1209717017 /nfs/dbraw/zinc/71/70/17/1209717017.db2.gz BYFKALQKFNWBJN-INIZCTEOSA-N 2 1 363.462 0.832 10 0 FCAEMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3nc(N)[nH+]c(N)n3)C2)ccn1 ZINC000858635782 1209798131 /nfs/dbraw/zinc/79/81/31/1209798131.db2.gz ALIPSERVZDVERX-CQSZACIVSA-N 2 1 358.450 0.929 10 0 FCAEMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861736465 1209878251 /nfs/dbraw/zinc/87/82/51/1209878251.db2.gz YSQPMBDAAATJJK-WFASDCNBSA-N 2 1 356.430 0.449 10 0 FCAEMP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863315773 1209937967 /nfs/dbraw/zinc/93/79/67/1209937967.db2.gz FEUZXFXYJKEXPJ-KZNAEPCWSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863315773 1209937970 /nfs/dbraw/zinc/93/79/70/1209937970.db2.gz FEUZXFXYJKEXPJ-KZNAEPCWSA-N 2 1 363.506 0.417 10 0 FCAEMP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549828 1209944420 /nfs/dbraw/zinc/94/44/20/1209944420.db2.gz JPMCIOJFPTYGOB-IMJJTQAJSA-N 2 1 368.478 0.175 10 0 FCAEMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549883 1209944460 /nfs/dbraw/zinc/94/44/60/1209944460.db2.gz KQISAVRSYHBNNE-XBVQOTNRSA-N 2 1 364.490 0.938 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000865198471 1209975046 /nfs/dbraw/zinc/97/50/46/1209975046.db2.gz KDRFXUYVQGQILE-AWEZNQCLSA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709106 1210002910 /nfs/dbraw/zinc/00/29/10/1210002910.db2.gz IGSBWJIIAFSPKH-JJTUDDRGSA-N 2 1 364.490 0.890 10 0 FCAEMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709106 1210002914 /nfs/dbraw/zinc/00/29/14/1210002914.db2.gz IGSBWJIIAFSPKH-JJTUDDRGSA-N 2 1 364.490 0.890 10 0 FCAEMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867444695 1210006851 /nfs/dbraw/zinc/00/68/51/1210006851.db2.gz NWNQQNMNPOMWQA-IRXDYDNUSA-N 2 1 368.522 0.356 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCO1 ZINC000867639809 1210020070 /nfs/dbraw/zinc/02/00/70/1210020070.db2.gz DDPFPORSEMUVHK-BBWFWOEESA-N 2 1 366.506 0.108 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868230347 1210044977 /nfs/dbraw/zinc/04/49/77/1210044977.db2.gz ZCFKRXCRVVWLKT-ZWKOTPCHSA-N 2 1 374.485 0.745 10 0 FCAEMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868234658 1210045037 /nfs/dbraw/zinc/04/50/37/1210045037.db2.gz XGVGAQSDTKTQKF-JCGIZDLHSA-N 2 1 373.501 0.582 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868411190 1210063396 /nfs/dbraw/zinc/06/33/96/1210063396.db2.gz UKZVBOVJLRPUDP-KURKYZTESA-N 2 1 362.518 0.777 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)CC[C@H]21 ZINC000868410750 1210063445 /nfs/dbraw/zinc/06/34/45/1210063445.db2.gz ORVLQSRLCVWGPS-RCCFBDPRSA-N 2 1 362.518 0.777 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868416704 1210063988 /nfs/dbraw/zinc/06/39/88/1210063988.db2.gz BEGKIICUTBJFBV-HZPDHXFCSA-N 2 1 366.506 0.156 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868897547 1210077802 /nfs/dbraw/zinc/07/78/02/1210077802.db2.gz ZKWAKGBDKOCLLN-ZNMIVQPWSA-N 2 1 372.510 0.355 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868897547 1210077804 /nfs/dbraw/zinc/07/78/04/1210077804.db2.gz ZKWAKGBDKOCLLN-ZNMIVQPWSA-N 2 1 372.510 0.355 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H](Cc2ccccc2)C1 ZINC000872196329 1210178464 /nfs/dbraw/zinc/17/84/64/1210178464.db2.gz QDDBVDLQVVDHIE-BBTUJRGHSA-N 2 1 370.497 0.440 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H](Cc2ccccc2)C1 ZINC000872196329 1210178467 /nfs/dbraw/zinc/17/84/67/1210178467.db2.gz QDDBVDLQVVDHIE-BBTUJRGHSA-N 2 1 370.497 0.440 10 0 FCAEMP COc1cc2c(cc1C[N@@H+]1CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C1)OCO2 ZINC000872256449 1210183185 /nfs/dbraw/zinc/18/31/85/1210183185.db2.gz UEPGTBWNKXYKDS-XNJGSVPQSA-N 2 1 361.398 0.791 10 0 FCAEMP COc1cc2c(cc1C[N@H+]1CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C1)OCO2 ZINC000872256449 1210183196 /nfs/dbraw/zinc/18/31/96/1210183196.db2.gz UEPGTBWNKXYKDS-XNJGSVPQSA-N 2 1 361.398 0.791 10 0 FCAEMP Cc1nn(C)c2ncc(C[N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc12 ZINC000872255408 1210183601 /nfs/dbraw/zinc/18/36/01/1210183601.db2.gz WHHPHWBZZUMJSW-BMFZPTHFSA-N 2 1 356.430 0.644 10 0 FCAEMP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001275312632 1211213707 /nfs/dbraw/zinc/21/37/07/1211213707.db2.gz GAFYJUVPDQSRRQ-JQHSSLGASA-N 2 1 360.502 0.904 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001276011311 1211323925 /nfs/dbraw/zinc/32/39/25/1211323925.db2.gz IGCKVGOOESIDKW-LSDHHAIUSA-N 2 1 362.478 0.584 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924740072 1211478848 /nfs/dbraw/zinc/47/88/48/1211478848.db2.gz ALRNUXJJFRTQQR-DLBZAZTESA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925841728 1211508593 /nfs/dbraw/zinc/50/85/93/1211508593.db2.gz SLJQFPOEWKVFKA-UAGQMJEPSA-N 2 1 362.474 0.103 10 0 FCAEMP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000926291915 1211527606 /nfs/dbraw/zinc/52/76/06/1211527606.db2.gz OHAOIKFTPATJAP-HXUWFJFHSA-N 2 1 374.485 0.033 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@@H]1C ZINC000926345671 1211536258 /nfs/dbraw/zinc/53/62/58/1211536258.db2.gz FSAHNZIMHCAEHG-JYJNAYRXSA-N 2 1 366.506 0.284 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@@H]1C ZINC000926345671 1211536262 /nfs/dbraw/zinc/53/62/62/1211536262.db2.gz FSAHNZIMHCAEHG-JYJNAYRXSA-N 2 1 366.506 0.284 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926347862 1211536834 /nfs/dbraw/zinc/53/68/34/1211536834.db2.gz KESFXKCMTKEOLW-XLIONFOSSA-N 2 1 374.485 0.032 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000926964739 1211560202 /nfs/dbraw/zinc/56/02/02/1211560202.db2.gz NEKWCZFEVKHPAY-SQNIBIBYSA-N 2 1 358.486 0.881 10 0 FCAEMP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926966282 1211560798 /nfs/dbraw/zinc/56/07/98/1211560798.db2.gz IRSYREXAVHNDSX-XEWABKELSA-N 2 1 358.486 0.691 10 0 FCAEMP CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926966282 1211560805 /nfs/dbraw/zinc/56/08/05/1211560805.db2.gz IRSYREXAVHNDSX-XEWABKELSA-N 2 1 358.486 0.691 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCO1 ZINC000927633096 1211577212 /nfs/dbraw/zinc/57/72/12/1211577212.db2.gz LPPQREQPTOUVCB-ROUUACIJSA-N 2 1 368.522 0.992 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CC1 ZINC000927643882 1211578602 /nfs/dbraw/zinc/57/86/02/1211578602.db2.gz XGQMPCNHWVGCNF-SFHVURJKSA-N 2 1 368.522 0.728 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927643882 1211578607 /nfs/dbraw/zinc/57/86/07/1211578607.db2.gz XGQMPCNHWVGCNF-SFHVURJKSA-N 2 1 368.522 0.728 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927643882 1211578611 /nfs/dbraw/zinc/57/86/11/1211578611.db2.gz XGQMPCNHWVGCNF-SFHVURJKSA-N 2 1 368.522 0.728 10 0 FCAEMP CCc1ncc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000927834699 1211583959 /nfs/dbraw/zinc/58/39/59/1211583959.db2.gz MLXOEORZAZCRSS-IYBDPMFKSA-N 2 1 372.473 0.405 10 0 FCAEMP CCc1ncc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000927834699 1211583960 /nfs/dbraw/zinc/58/39/60/1211583960.db2.gz MLXOEORZAZCRSS-IYBDPMFKSA-N 2 1 372.473 0.405 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)cn2)CC[NH+]1C ZINC000928425380 1211602561 /nfs/dbraw/zinc/60/25/61/1211602561.db2.gz CGAJEJZOAHBHHX-XJFOESAGSA-N 2 1 360.462 0.121 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@@H]3CC[NH+](C)[C@H]3C)cn2)CC[N@@H+]1C ZINC000928425380 1211602565 /nfs/dbraw/zinc/60/25/65/1211602565.db2.gz CGAJEJZOAHBHHX-XJFOESAGSA-N 2 1 360.462 0.121 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@@H]3CC[NH+](C)[C@H]3C)cn2)CC[N@H+]1C ZINC000928425380 1211602570 /nfs/dbraw/zinc/60/25/70/1211602570.db2.gz CGAJEJZOAHBHHX-XJFOESAGSA-N 2 1 360.462 0.121 10 0 FCAEMP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000929647105 1211652990 /nfs/dbraw/zinc/65/29/90/1211652990.db2.gz XRBCRGVFSVUIKP-QGZVFWFLSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C[N@H+]1C1CC1 ZINC000930482244 1211708982 /nfs/dbraw/zinc/70/89/82/1211708982.db2.gz YYXHUABTFYTNHW-CKEIUWERSA-N 2 1 364.490 0.097 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[NH+]1C1CC1 ZINC000930482244 1211708986 /nfs/dbraw/zinc/70/89/86/1211708986.db2.gz YYXHUABTFYTNHW-CKEIUWERSA-N 2 1 364.490 0.097 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[NH+]1C1CC1 ZINC000930482244 1211708988 /nfs/dbraw/zinc/70/89/88/1211708988.db2.gz YYXHUABTFYTNHW-CKEIUWERSA-N 2 1 364.490 0.097 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000930932256 1211729266 /nfs/dbraw/zinc/72/92/66/1211729266.db2.gz FPKPACAXLOZQJK-KRWDZBQOSA-N 2 1 368.522 0.450 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930932256 1211729268 /nfs/dbraw/zinc/72/92/68/1211729268.db2.gz FPKPACAXLOZQJK-KRWDZBQOSA-N 2 1 368.522 0.450 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000930932256 1211729271 /nfs/dbraw/zinc/72/92/71/1211729271.db2.gz FPKPACAXLOZQJK-KRWDZBQOSA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000931017121 1211735579 /nfs/dbraw/zinc/73/55/79/1211735579.db2.gz DFHZYIKDZONURY-DLBZAZTESA-N 2 1 361.490 0.791 10 0 FCAEMP CN1CC[N@@H+](CC(CN2CC[NH+](C)[C@@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398724 1211753196 /nfs/dbraw/zinc/75/31/96/1211753196.db2.gz SVAXKISFVFJNPJ-WOJBJXKFSA-N 2 1 368.566 0.009 10 0 FCAEMP CN1CC[NH+](CC(CN2CC[N@H+](C)[C@@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398724 1211753198 /nfs/dbraw/zinc/75/31/98/1211753198.db2.gz SVAXKISFVFJNPJ-WOJBJXKFSA-N 2 1 368.566 0.009 10 0 FCAEMP CN1CC[NH+](CC(CN2CC[N@@H+](C)[C@@H](CO)C2)C2CCCC2)C[C@@H]1CO ZINC000931398724 1211753200 /nfs/dbraw/zinc/75/32/00/1211753200.db2.gz SVAXKISFVFJNPJ-WOJBJXKFSA-N 2 1 368.566 0.009 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931409066 1211754481 /nfs/dbraw/zinc/75/44/81/1211754481.db2.gz IWUBRUUZILLBHM-FQEVSTJZSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931409066 1211754483 /nfs/dbraw/zinc/75/44/83/1211754483.db2.gz IWUBRUUZILLBHM-FQEVSTJZSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH+](C)[C@H](CO)C2)CC1 ZINC000931409066 1211754488 /nfs/dbraw/zinc/75/44/88/1211754488.db2.gz IWUBRUUZILLBHM-FQEVSTJZSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH+](C)[C@H](CO)C2)CC1 ZINC000931409066 1211754491 /nfs/dbraw/zinc/75/44/91/1211754491.db2.gz IWUBRUUZILLBHM-FQEVSTJZSA-N 2 1 374.529 0.638 10 0 FCAEMP CON1CC[C@@H]([N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@H]3CCN(OC)C3=O)CC2)C1=O ZINC000931737320 1211772269 /nfs/dbraw/zinc/77/22/69/1211772269.db2.gz HUDUMHXHIKIXHD-ZNNBLSDJSA-N 2 1 368.478 0.486 10 0 FCAEMP CON1CC[C@@H]([NH+](C)[C@@H]2CC[C@@H]([N@H+](C)[C@H]3CCN(OC)C3=O)CC2)C1=O ZINC000931737320 1211772282 /nfs/dbraw/zinc/77/22/82/1211772282.db2.gz HUDUMHXHIKIXHD-ZNNBLSDJSA-N 2 1 368.478 0.486 10 0 FCAEMP CON1CC[C@@H]([NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)[C@H]3CCN(OC)C3=O)CC2)C1=O ZINC000931737320 1211772287 /nfs/dbraw/zinc/77/22/87/1211772287.db2.gz HUDUMHXHIKIXHD-ZNNBLSDJSA-N 2 1 368.478 0.486 10 0 FCAEMP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000900158118 1217965223 /nfs/dbraw/zinc/96/52/23/1217965223.db2.gz SNVHEBURMWCAGK-HXUWFJFHSA-N 2 1 360.502 0.772 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000900158118 1217965227 /nfs/dbraw/zinc/96/52/27/1217965227.db2.gz SNVHEBURMWCAGK-HXUWFJFHSA-N 2 1 360.502 0.772 10 0 FCAEMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900176571 1217967326 /nfs/dbraw/zinc/96/73/26/1217967326.db2.gz PKNMTIKBTSPEDJ-AZUAARDMSA-N 2 1 360.502 0.770 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900209479 1217971621 /nfs/dbraw/zinc/97/16/21/1217971621.db2.gz LNBDQDVCHBEYSX-UHFFFAOYSA-N 2 1 356.470 0.786 10 0 FCAEMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cn2)CC1 ZINC000900229719 1217973352 /nfs/dbraw/zinc/97/33/52/1217973352.db2.gz QSGOXWOFWAGMAE-APWZRJJASA-N 2 1 361.490 0.295 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001276983609 1225786312 /nfs/dbraw/zinc/78/63/12/1225786312.db2.gz ORMRVYDOHKPHSW-ZQDZILKHSA-N 2 1 367.494 0.047 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000901069351 1218073943 /nfs/dbraw/zinc/07/39/43/1218073943.db2.gz YARKLLAJKMTFEB-UYAOXDASSA-N 2 1 361.486 0.369 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000901069351 1218073945 /nfs/dbraw/zinc/07/39/45/1218073945.db2.gz YARKLLAJKMTFEB-UYAOXDASSA-N 2 1 361.486 0.369 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000901069351 1218073952 /nfs/dbraw/zinc/07/39/52/1218073952.db2.gz YARKLLAJKMTFEB-UYAOXDASSA-N 2 1 361.486 0.369 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)C(=O)NCCc1ccccc1)C2 ZINC000903491782 1218426002 /nfs/dbraw/zinc/42/60/02/1218426002.db2.gz AQEILBXQAOHJBK-REGYPHIPSA-N 2 1 359.470 0.946 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NCc1ccc(OC)cc1)C2 ZINC000903491179 1218426086 /nfs/dbraw/zinc/42/60/86/1218426086.db2.gz YNZFQIKZEQERDH-KHYOSLBOSA-N 2 1 361.442 0.524 10 0 FCAEMP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903741000 1218512223 /nfs/dbraw/zinc/51/22/23/1218512223.db2.gz ARXHSMWOGDSKPO-RYUDHWBXSA-N 2 1 373.379 0.854 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903748122 1218514602 /nfs/dbraw/zinc/51/46/02/1218514602.db2.gz YSYJHJKVOCICSQ-INIZCTEOSA-N 2 1 360.458 0.956 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760293 1218518970 /nfs/dbraw/zinc/51/89/70/1218518970.db2.gz SAXJPQIPOFEDEF-XLMAVXFVSA-N 2 1 362.518 0.905 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903779291 1218524501 /nfs/dbraw/zinc/52/45/01/1218524501.db2.gz YCFJPXDWWZJQLW-BHIYHBOVSA-N 2 1 372.513 0.815 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903779291 1218524511 /nfs/dbraw/zinc/52/45/11/1218524511.db2.gz YCFJPXDWWZJQLW-BHIYHBOVSA-N 2 1 372.513 0.815 10 0 FCAEMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000903785834 1218526054 /nfs/dbraw/zinc/52/60/54/1218526054.db2.gz RFPMOPSMNOKGFZ-INIZCTEOSA-N 2 1 368.522 0.404 10 0 FCAEMP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2=O)n1 ZINC000903926858 1218565777 /nfs/dbraw/zinc/56/57/77/1218565777.db2.gz VCCXRVXRKULTFK-UKRRQHHQSA-N 2 1 358.450 0.221 10 0 FCAEMP COCCN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cn1 ZINC000903977246 1218580134 /nfs/dbraw/zinc/58/01/34/1218580134.db2.gz MMLLTXVVURYVIU-FCEWJHQRSA-N 2 1 362.474 0.877 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490941952 1220052577 /nfs/dbraw/zinc/05/25/77/1220052577.db2.gz YWQRYWNRGQVSMZ-CHWSQXEVSA-N 2 1 366.428 0.784 10 0 FCAEMP CN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001117125506 1221474653 /nfs/dbraw/zinc/47/46/53/1221474653.db2.gz CIHKMCVJYHFRJW-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC001117125506 1221474670 /nfs/dbraw/zinc/47/46/70/1221474670.db2.gz CIHKMCVJYHFRJW-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC001117125506 1221474677 /nfs/dbraw/zinc/47/46/77/1221474677.db2.gz CIHKMCVJYHFRJW-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC001117125506 1221474686 /nfs/dbraw/zinc/47/46/86/1221474686.db2.gz CIHKMCVJYHFRJW-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001117972725 1221671680 /nfs/dbraw/zinc/67/16/80/1221671680.db2.gz XNGGYEHBLDQWQP-SJORKVTESA-N 2 1 362.449 0.945 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001117972725 1221671687 /nfs/dbraw/zinc/67/16/87/1221671687.db2.gz XNGGYEHBLDQWQP-SJORKVTESA-N 2 1 362.449 0.945 10 0 FCAEMP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCC[N@H+]3CCC[C@H]3C1)CC2 ZINC001119703380 1221953686 /nfs/dbraw/zinc/95/36/86/1221953686.db2.gz PFMNTYJVKXDYDB-HOTGVXAUSA-N 2 1 364.490 0.040 10 0 FCAEMP C[N@@H+]1C[C@@H]2[C@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)CC[C@@H]2C1 ZINC001123650432 1222347290 /nfs/dbraw/zinc/34/72/90/1222347290.db2.gz SMENBCRHRIMLQA-FGTMMUONSA-N 2 1 372.517 0.973 10 0 FCAEMP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862520 1222361306 /nfs/dbraw/zinc/36/13/06/1222361306.db2.gz MVXQINQRMABVMT-RTBURBONSA-N 2 1 366.550 0.897 10 0 FCAEMP C/C(=C\C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC001123928867 1222367218 /nfs/dbraw/zinc/36/72/18/1222367218.db2.gz NMOOWVIEOKYRAV-ITNXGIBWSA-N 2 1 374.529 0.753 10 0 FCAEMP C/C(=C\C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001123928867 1222367221 /nfs/dbraw/zinc/36/72/21/1222367221.db2.gz NMOOWVIEOKYRAV-ITNXGIBWSA-N 2 1 374.529 0.753 10 0 FCAEMP C/C(=C\C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001123928867 1222367222 /nfs/dbraw/zinc/36/72/22/1222367222.db2.gz NMOOWVIEOKYRAV-ITNXGIBWSA-N 2 1 374.529 0.753 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000828284799 1222399501 /nfs/dbraw/zinc/39/95/01/1222399501.db2.gz SARHBVJFRDKELY-DJIMGWMZSA-N 2 1 366.506 0.033 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843266672 1222868397 /nfs/dbraw/zinc/86/83/97/1222868397.db2.gz ZTXGHBKXGIUKGM-QGZVFWFLSA-N 2 1 367.538 0.250 10 0 FCAEMP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000843357470 1222872919 /nfs/dbraw/zinc/87/29/19/1222872919.db2.gz LOTGCBNXAMWNJK-KRWDZBQOSA-N 2 1 360.458 0.920 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000849513235 1245398031 /nfs/dbraw/zinc/39/80/31/1245398031.db2.gz RAQKUCUFWWJNGZ-HOTGVXAUSA-N 2 1 359.478 0.852 10 0 FCAEMP 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CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001479674809 1263341038 /nfs/dbraw/zinc/34/10/38/1263341038.db2.gz RWURAEVDDIXDRN-IXDOHACOSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001479674809 1263341045 /nfs/dbraw/zinc/34/10/45/1263341045.db2.gz RWURAEVDDIXDRN-IXDOHACOSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001479674809 1263341057 /nfs/dbraw/zinc/34/10/57/1263341057.db2.gz RWURAEVDDIXDRN-IXDOHACOSA-N 2 1 350.507 0.728 10 0 FCAEMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001316652322 1263399270 /nfs/dbraw/zinc/39/92/70/1263399270.db2.gz YGBKOUGRYUPUAO-USXIJHARSA-N 2 1 366.506 0.250 10 0 FCAEMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001316652322 1263399281 /nfs/dbraw/zinc/39/92/81/1263399281.db2.gz YGBKOUGRYUPUAO-USXIJHARSA-N 2 1 366.506 0.250 10 0 FCAEMP CC(C)OCCCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001479727330 1263403416 /nfs/dbraw/zinc/40/34/16/1263403416.db2.gz HMXCMRHSYDBNOZ-ZACQAIPSSA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)OCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001479727330 1263403422 /nfs/dbraw/zinc/40/34/22/1263403422.db2.gz HMXCMRHSYDBNOZ-ZACQAIPSSA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)OCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001479727330 1263403424 /nfs/dbraw/zinc/40/34/24/1263403424.db2.gz HMXCMRHSYDBNOZ-ZACQAIPSSA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)OCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001479727330 1263403432 /nfs/dbraw/zinc/40/34/32/1263403432.db2.gz HMXCMRHSYDBNOZ-ZACQAIPSSA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)OCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001479727330 1263403435 /nfs/dbraw/zinc/40/34/35/1263403435.db2.gz HMXCMRHSYDBNOZ-ZACQAIPSSA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCNC(=O)C(F)(F)F)[C@@H]1C ZINC001479729689 1263406635 /nfs/dbraw/zinc/40/66/35/1263406635.db2.gz GBOHQXMCMHTNPC-OLZOCXBDSA-N 2 1 366.428 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)[C@@H]1C ZINC001479729689 1263406637 /nfs/dbraw/zinc/40/66/37/1263406637.db2.gz GBOHQXMCMHTNPC-OLZOCXBDSA-N 2 1 366.428 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@@H]1C ZINC001479729689 1263406640 /nfs/dbraw/zinc/40/66/40/1263406640.db2.gz GBOHQXMCMHTNPC-OLZOCXBDSA-N 2 1 366.428 0.974 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001316694771 1263426362 /nfs/dbraw/zinc/42/63/62/1263426362.db2.gz BGBSMCLLQJZATO-NUJGCVRESA-N 2 1 362.474 0.228 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001480284567 1263427369 /nfs/dbraw/zinc/42/73/69/1263427369.db2.gz UFKWPLDYZFJQMC-HYVNUMGLSA-N 2 1 350.507 0.681 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001480345602 1263428460 /nfs/dbraw/zinc/42/84/60/1263428460.db2.gz LAUOKJIVUUBJPL-IXDOHACOSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCS(C)(=O)=O)CC[N@H+]1C ZINC001480824342 1263436873 /nfs/dbraw/zinc/43/68/73/1263436873.db2.gz RAYZSLVHOYQZMW-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC001480824342 1263436877 /nfs/dbraw/zinc/43/68/77/1263436877.db2.gz RAYZSLVHOYQZMW-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC001480824342 1263436882 /nfs/dbraw/zinc/43/68/82/1263436882.db2.gz RAYZSLVHOYQZMW-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnn(C)n1 ZINC001480792557 1263437549 /nfs/dbraw/zinc/43/75/49/1263437549.db2.gz LWTLZPCCVRWRGV-OIISXLGYSA-N 2 1 371.489 0.540 10 0 FCAEMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnn(C)n1 ZINC001480792557 1263437551 /nfs/dbraw/zinc/43/75/51/1263437551.db2.gz LWTLZPCCVRWRGV-OIISXLGYSA-N 2 1 371.489 0.540 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001316753837 1263458195 /nfs/dbraw/zinc/45/81/95/1263458195.db2.gz DZXVNZBIBSDROG-IXDOHACOSA-N 2 1 367.538 0.815 10 0 FCAEMP CCCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001484216155 1263460055 /nfs/dbraw/zinc/46/00/55/1263460055.db2.gz JMJADSCLNGMVQQ-FRQCXROJSA-N 2 1 368.522 0.186 10 0 FCAEMP CCCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001484216155 1263460056 /nfs/dbraw/zinc/46/00/56/1263460056.db2.gz JMJADSCLNGMVQQ-FRQCXROJSA-N 2 1 368.522 0.186 10 0 FCAEMP CCCCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484216155 1263460059 /nfs/dbraw/zinc/46/00/59/1263460059.db2.gz JMJADSCLNGMVQQ-FRQCXROJSA-N 2 1 368.522 0.186 10 0 FCAEMP CCCCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484216155 1263460061 /nfs/dbraw/zinc/46/00/61/1263460061.db2.gz JMJADSCLNGMVQQ-FRQCXROJSA-N 2 1 368.522 0.186 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001316756687 1263461293 /nfs/dbraw/zinc/46/12/93/1263461293.db2.gz DKQPFXRAUZIUSZ-IXDOHACOSA-N 2 1 359.474 0.641 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001316756687 1263461297 /nfs/dbraw/zinc/46/12/97/1263461297.db2.gz DKQPFXRAUZIUSZ-IXDOHACOSA-N 2 1 359.474 0.641 10 0 FCAEMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001316793819 1263483009 /nfs/dbraw/zinc/48/30/09/1263483009.db2.gz ATKZIGIWXQLAGT-WBVHZDCISA-N 2 1 361.490 0.619 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001316793819 1263483015 /nfs/dbraw/zinc/48/30/15/1263483015.db2.gz ATKZIGIWXQLAGT-WBVHZDCISA-N 2 1 361.490 0.619 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001316793819 1263483021 /nfs/dbraw/zinc/48/30/21/1263483021.db2.gz ATKZIGIWXQLAGT-WBVHZDCISA-N 2 1 361.490 0.619 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001316793819 1263483025 /nfs/dbraw/zinc/48/30/25/1263483025.db2.gz ATKZIGIWXQLAGT-WBVHZDCISA-N 2 1 361.490 0.619 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001316824602 1263491608 /nfs/dbraw/zinc/49/16/08/1263491608.db2.gz VHLATNJHFZXVHA-NVXWUHKLSA-N 2 1 361.490 0.476 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001316824602 1263491614 /nfs/dbraw/zinc/49/16/14/1263491614.db2.gz VHLATNJHFZXVHA-NVXWUHKLSA-N 2 1 361.490 0.476 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001316824602 1263491616 /nfs/dbraw/zinc/49/16/16/1263491616.db2.gz VHLATNJHFZXVHA-NVXWUHKLSA-N 2 1 361.490 0.476 10 0 FCAEMP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001486278163 1263529217 /nfs/dbraw/zinc/52/92/17/1263529217.db2.gz LQGPQUYYASCUCF-FVQBIDKESA-N 2 1 350.463 0.339 10 0 FCAEMP CC(C)n1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486278586 1263529295 /nfs/dbraw/zinc/52/92/95/1263529295.db2.gz OGXGKNYUPQSSGI-QLFBSQMISA-N 2 1 352.483 0.108 10 0 FCAEMP CC(C)n1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486278586 1263529298 /nfs/dbraw/zinc/52/92/98/1263529298.db2.gz OGXGKNYUPQSSGI-QLFBSQMISA-N 2 1 352.483 0.108 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCc2cnn(C)c2)CC[N@H+]1C ZINC001486338435 1263532717 /nfs/dbraw/zinc/53/27/17/1263532717.db2.gz WSNCTVSQZPDYGM-HYVNUMGLSA-N 2 1 351.495 0.054 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCc2cnn(C)c2)CC[NH+]1C ZINC001486338435 1263532726 /nfs/dbraw/zinc/53/27/26/1263532726.db2.gz WSNCTVSQZPDYGM-HYVNUMGLSA-N 2 1 351.495 0.054 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCc2cnn(C)c2)CC[NH+]1C ZINC001486338435 1263532731 /nfs/dbraw/zinc/53/27/31/1263532731.db2.gz WSNCTVSQZPDYGM-HYVNUMGLSA-N 2 1 351.495 0.054 10 0 FCAEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001487320670 1263601269 /nfs/dbraw/zinc/60/12/69/1263601269.db2.gz CNUJJRPGOSZUGZ-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001487320670 1263601279 /nfs/dbraw/zinc/60/12/79/1263601279.db2.gz CNUJJRPGOSZUGZ-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001487320670 1263601285 /nfs/dbraw/zinc/60/12/85/1263601285.db2.gz CNUJJRPGOSZUGZ-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP CCOCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491705957 1263614557 /nfs/dbraw/zinc/61/45/57/1263614557.db2.gz QUMDEQYVNJHGTJ-IXDOHACOSA-N 2 1 368.522 0.308 10 0 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CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001632011477 1282149177 /nfs/dbraw/zinc/14/91/77/1282149177.db2.gz GYNJFBFSGLCIRB-KURKYZTESA-N 2 1 351.539 0.249 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cn1 ZINC001636368960 1282493170 /nfs/dbraw/zinc/49/31/70/1282493170.db2.gz UAZXTGVUSUDSOX-RBUKOAKNSA-N 2 1 374.533 0.161 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cn1 ZINC001636368960 1282493178 /nfs/dbraw/zinc/49/31/78/1282493178.db2.gz UAZXTGVUSUDSOX-RBUKOAKNSA-N 2 1 374.533 0.161 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cn1 ZINC001636368960 1282493183 /nfs/dbraw/zinc/49/31/83/1282493183.db2.gz UAZXTGVUSUDSOX-RBUKOAKNSA-N 2 1 374.533 0.161 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)CC[N@H+]1C ZINC001681656827 1283504418 /nfs/dbraw/zinc/50/44/18/1283504418.db2.gz TVLXGIXGTSXHLP-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2O)C1 ZINC001682607648 1283716135 /nfs/dbraw/zinc/71/61/35/1283716135.db2.gz YZYRLDOZRWQBAC-BRWVUGGUSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2O)C1 ZINC001682607648 1283716140 /nfs/dbraw/zinc/71/61/40/1283716140.db2.gz YZYRLDOZRWQBAC-BRWVUGGUSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2O)C1 ZINC001682607648 1283716145 /nfs/dbraw/zinc/71/61/45/1283716145.db2.gz YZYRLDOZRWQBAC-BRWVUGGUSA-N 2 1 368.522 0.138 10 0 FCAEMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001719122568 1287782813 /nfs/dbraw/zinc/78/28/13/1287782813.db2.gz FCBVMDUBOFXXQI-IXDOHACOSA-N 2 1 368.522 0.281 10 0 FCAEMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001719122568 1287782818 /nfs/dbraw/zinc/78/28/18/1287782818.db2.gz FCBVMDUBOFXXQI-IXDOHACOSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@H]2O)C1 ZINC001719124969 1287786477 /nfs/dbraw/zinc/78/64/77/1287786477.db2.gz JTCRYXUZPQVIPX-GVDBMIGSSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2O)C1 ZINC001702382024 1285598185 /nfs/dbraw/zinc/59/81/85/1285598185.db2.gz YZYRLDOZRWQBAC-ZACQAIPSSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2O)C1 ZINC001702382024 1285598195 /nfs/dbraw/zinc/59/81/95/1285598195.db2.gz YZYRLDOZRWQBAC-ZACQAIPSSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2O)C1 ZINC001702382024 1285598201 /nfs/dbraw/zinc/59/82/01/1285598201.db2.gz YZYRLDOZRWQBAC-ZACQAIPSSA-N 2 1 368.522 0.138 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001702451717 1285688820 /nfs/dbraw/zinc/68/88/20/1285688820.db2.gz ZZXKLWZTVVTQRR-HZPDHXFCSA-N 2 1 350.507 0.968 10 0 FCAEMP 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CC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@@H]1C ZINC001702727160 1285825907 /nfs/dbraw/zinc/82/59/07/1285825907.db2.gz RPXGHRHFGQJVEZ-GJYPPUQNSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@@H]1C ZINC001702727160 1285825909 /nfs/dbraw/zinc/82/59/09/1285825909.db2.gz RPXGHRHFGQJVEZ-GJYPPUQNSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H]1C ZINC001702726966 1285826546 /nfs/dbraw/zinc/82/65/46/1285826546.db2.gz MYGARQQGTRSQAC-IKGGRYGDSA-N 2 1 368.522 0.543 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H]1C ZINC001702726966 1285826555 /nfs/dbraw/zinc/82/65/55/1285826555.db2.gz MYGARQQGTRSQAC-IKGGRYGDSA-N 2 1 368.522 0.543 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H]1C ZINC001702726966 1285826562 /nfs/dbraw/zinc/82/65/62/1285826562.db2.gz MYGARQQGTRSQAC-IKGGRYGDSA-N 2 1 368.522 0.543 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001704942776 1286326520 /nfs/dbraw/zinc/32/65/20/1286326520.db2.gz BQKKMIWJAINUTA-HRCADAONSA-N 2 1 368.522 0.042 10 0 FCAEMP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1)C1CCC1 ZINC001707092662 1286437205 /nfs/dbraw/zinc/43/72/05/1286437205.db2.gz BMRFODDANLUCRW-IPMKNSEASA-N 2 1 370.497 0.943 10 0 FCAEMP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1)C1CCC1 ZINC001707092662 1286437210 /nfs/dbraw/zinc/43/72/10/1286437210.db2.gz BMRFODDANLUCRW-IPMKNSEASA-N 2 1 370.497 0.943 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1)C1CCC1 ZINC001707092662 1286437212 /nfs/dbraw/zinc/43/72/12/1286437212.db2.gz BMRFODDANLUCRW-IPMKNSEASA-N 2 1 370.497 0.943 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1)C1CCC1 ZINC001707092662 1286437216 /nfs/dbraw/zinc/43/72/16/1286437216.db2.gz BMRFODDANLUCRW-IPMKNSEASA-N 2 1 370.497 0.943 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cncn2C)CC[N@H+]1C ZINC001677156457 1292227086 /nfs/dbraw/zinc/22/70/86/1292227086.db2.gz HDGRTAHMVNISNR-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cncn2C)CC[NH+]1C ZINC001677156457 1292227089 /nfs/dbraw/zinc/22/70/89/1292227089.db2.gz HDGRTAHMVNISNR-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cncn2C)CC[NH+]1C ZINC001677156457 1292227095 /nfs/dbraw/zinc/22/70/95/1292227095.db2.gz HDGRTAHMVNISNR-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+]CC(=O)N2CCCC2)CC[N@H+]1C ZINC001677488834 1292237127 /nfs/dbraw/zinc/23/71/27/1292237127.db2.gz SVGXBAFXADSWNV-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@]2(C)C1 ZINC001685567442 1292559913 /nfs/dbraw/zinc/55/99/13/1292559913.db2.gz XVQDSYMXQFTFAL-IFXJQAMLSA-N 2 1 361.490 0.946 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001685691215 1292596650 /nfs/dbraw/zinc/59/66/50/1292596650.db2.gz OAJODXSITYUAOA-HZPDHXFCSA-N 2 1 350.507 0.633 10 0 FCAEMP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001686050868 1292747945 /nfs/dbraw/zinc/74/79/45/1292747945.db2.gz NFRHLAFONLVOKQ-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCN1CCOCC1 ZINC000751010656 836459124 /nfs/dbraw/zinc/45/91/24/836459124.db2.gz KOYYLMAWKQIDQC-KRWDZBQOSA-N 2 1 371.595 0.541 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001118267717 847354376 /nfs/dbraw/zinc/35/43/76/847354376.db2.gz CKMXQTHFYNNSSQ-GOEBONIOSA-N 2 1 354.495 0.012 10 0 FCAEMP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001119845075 848001011 /nfs/dbraw/zinc/00/10/11/848001011.db2.gz JGEGFVLNWMQALC-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001119845075 848001020 /nfs/dbraw/zinc/00/10/20/848001020.db2.gz JGEGFVLNWMQALC-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001119845075 848001034 /nfs/dbraw/zinc/00/10/34/848001034.db2.gz JGEGFVLNWMQALC-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001119845075 848001041 /nfs/dbraw/zinc/00/10/41/848001041.db2.gz JGEGFVLNWMQALC-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277825414 862118069 /nfs/dbraw/zinc/11/80/69/862118069.db2.gz AACZNRKXDYHYKE-ARFHVFGLSA-N 2 1 361.552 0.976 10 0 FCAEMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001277825775 862119293 /nfs/dbraw/zinc/11/92/93/862119293.db2.gz GRNNOUBMLLPSIY-YNEHKIRRSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001279236918 862779503 /nfs/dbraw/zinc/77/95/03/862779503.db2.gz ZURSABPGVLBKLD-PRLABOORSA-N 2 1 371.547 0.730 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC001261798951 858668316 /nfs/dbraw/zinc/66/83/16/858668316.db2.gz YSHAWBBENBWTEE-IYBDPMFKSA-N 2 1 368.598 0.831 10 0 FCAEMP CNC(=O)[C@@H]1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](C(=O)NC)C2)C1 ZINC001261798951 858668318 /nfs/dbraw/zinc/66/83/18/858668318.db2.gz YSHAWBBENBWTEE-IYBDPMFKSA-N 2 1 368.598 0.831 10 0 FCAEMP CNC(=O)[C@@H]1CC[N@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](C(=O)NC)C2)C1 ZINC001261798951 858668321 /nfs/dbraw/zinc/66/83/21/858668321.db2.gz YSHAWBBENBWTEE-IYBDPMFKSA-N 2 1 368.598 0.831 10 0 FCAEMP CCN1CC[NH+](CCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001261850248 858685201 /nfs/dbraw/zinc/68/52/01/858685201.db2.gz FJJCTCGBDCBTSA-QGZVFWFLSA-N 2 1 350.511 0.822 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001264466395 859359966 /nfs/dbraw/zinc/35/99/66/859359966.db2.gz YDUXGKGYUGPXIO-GZBFAFLISA-N 2 1 350.463 0.150 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001264618442 859402065 /nfs/dbraw/zinc/40/20/65/859402065.db2.gz GAUOUWDNEVKRJE-BHYGNILZSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001264618442 859402068 /nfs/dbraw/zinc/40/20/68/859402068.db2.gz GAUOUWDNEVKRJE-BHYGNILZSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001264618442 859402070 /nfs/dbraw/zinc/40/20/70/859402070.db2.gz GAUOUWDNEVKRJE-BHYGNILZSA-N 2 1 350.507 0.824 10 0 FCAEMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCC(F)F)CC[C@@H]3C2)C1 ZINC001264641734 859409281 /nfs/dbraw/zinc/40/92/81/859409281.db2.gz SZSWEIZEHJSVMM-QLFBSQMISA-N 2 1 361.433 0.379 10 0 FCAEMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCOCC(F)F)CC[C@@H]3C2)C1 ZINC001264641734 859409286 /nfs/dbraw/zinc/40/92/86/859409286.db2.gz SZSWEIZEHJSVMM-QLFBSQMISA-N 2 1 361.433 0.379 10 0 FCAEMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCOCC(F)F)CC[C@@H]3C2)C1 ZINC001264641734 859409289 /nfs/dbraw/zinc/40/92/89/859409289.db2.gz SZSWEIZEHJSVMM-QLFBSQMISA-N 2 1 361.433 0.379 10 0 FCAEMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCOCC(F)F)CC[C@@H]3C2)C1 ZINC001264641734 859409292 /nfs/dbraw/zinc/40/92/92/859409292.db2.gz SZSWEIZEHJSVMM-QLFBSQMISA-N 2 1 361.433 0.379 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C2)CC[N@H+]1C ZINC001265431196 859460142 /nfs/dbraw/zinc/46/01/42/859460142.db2.gz YUVATNJQEFYTIQ-FRRDWIJNSA-N 2 1 364.412 0.586 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001266464562 859482144 /nfs/dbraw/zinc/48/21/44/859482144.db2.gz CQPPSBPZAMMUGU-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001266464562 859482150 /nfs/dbraw/zinc/48/21/50/859482150.db2.gz CQPPSBPZAMMUGU-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001266464562 859482158 /nfs/dbraw/zinc/48/21/58/859482158.db2.gz CQPPSBPZAMMUGU-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001266464562 859482166 /nfs/dbraw/zinc/48/21/66/859482166.db2.gz CQPPSBPZAMMUGU-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)N2CCCC2)C2CC2)CC[N@@H+]1C ZINC001266592096 859484974 /nfs/dbraw/zinc/48/49/74/859484974.db2.gz IJWRZGZPIFFSCR-DLBZAZTESA-N 2 1 350.507 0.920 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)N2CCCC2)C2CC2)CC[N@H+]1C ZINC001266592096 859484977 /nfs/dbraw/zinc/48/49/77/859484977.db2.gz IJWRZGZPIFFSCR-DLBZAZTESA-N 2 1 350.507 0.920 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC(=O)N2CCCC2)C2CC2)CC[NH+]1C ZINC001266592096 859484980 /nfs/dbraw/zinc/48/49/80/859484980.db2.gz IJWRZGZPIFFSCR-DLBZAZTESA-N 2 1 350.507 0.920 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC(=O)N2CCCC2)C2CC2)CC[NH+]1C ZINC001266592096 859484985 /nfs/dbraw/zinc/48/49/85/859484985.db2.gz IJWRZGZPIFFSCR-DLBZAZTESA-N 2 1 350.507 0.920 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001266909468 859492335 /nfs/dbraw/zinc/49/23/35/859492335.db2.gz RHMWWQRYMFHVFY-SSHXOBKSSA-N 2 1 359.536 0.778 10 0 FCAEMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266901038 859492357 /nfs/dbraw/zinc/49/23/57/859492357.db2.gz JOMCBBNTHLSNER-JQOWZUPLSA-N 2 1 350.507 0.676 10 0 FCAEMP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266901038 859492360 /nfs/dbraw/zinc/49/23/60/859492360.db2.gz JOMCBBNTHLSNER-JQOWZUPLSA-N 2 1 350.507 0.676 10 0 FCAEMP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266901038 859492365 /nfs/dbraw/zinc/49/23/65/859492365.db2.gz JOMCBBNTHLSNER-JQOWZUPLSA-N 2 1 350.507 0.676 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001266939129 859493752 /nfs/dbraw/zinc/49/37/52/859493752.db2.gz ANCMHRHGIITGFP-SDDRHHMPSA-N 2 1 352.401 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001267584328 859510501 /nfs/dbraw/zinc/51/05/01/859510501.db2.gz ZFJHJGNLBGAXKI-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001267584328 859510510 /nfs/dbraw/zinc/51/05/10/859510510.db2.gz ZFJHJGNLBGAXKI-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001267584328 859510515 /nfs/dbraw/zinc/51/05/15/859510515.db2.gz ZFJHJGNLBGAXKI-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001267787095 859516945 /nfs/dbraw/zinc/51/69/45/859516945.db2.gz VHQDSUWGFPLQGL-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCNC(=O)C2CC2)C1 ZINC001267787095 859516952 /nfs/dbraw/zinc/51/69/52/859516952.db2.gz VHQDSUWGFPLQGL-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCNC(=O)C2CC2)C1 ZINC001267787095 859516957 /nfs/dbraw/zinc/51/69/57/859516957.db2.gz VHQDSUWGFPLQGL-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nnnn1C(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063370 859522159 /nfs/dbraw/zinc/52/21/59/859522159.db2.gz KPXSTXDYSWWHSN-BFHYXJOUSA-N 2 1 351.499 0.705 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nnnn1C(C)(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268063370 859522170 /nfs/dbraw/zinc/52/21/70/859522170.db2.gz KPXSTXDYSWWHSN-BFHYXJOUSA-N 2 1 351.499 0.705 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001268064644 859522277 /nfs/dbraw/zinc/52/22/77/859522277.db2.gz SIKXKYLVASWQHU-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CCc1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)o1 ZINC001268307106 859528072 /nfs/dbraw/zinc/52/80/72/859528072.db2.gz FQABPCGJCLYHKK-SOUVJXGZSA-N 2 1 352.479 0.842 10 0 FCAEMP CCc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)o1 ZINC001268307105 859528232 /nfs/dbraw/zinc/52/82/32/859528232.db2.gz FQABPCGJCLYHKK-QLFBSQMISA-N 2 1 352.479 0.842 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001268367329 859532097 /nfs/dbraw/zinc/53/20/97/859532097.db2.gz UUXZRATWDKWIAN-MELADBBJSA-N 2 1 352.483 0.850 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001268367329 859532102 /nfs/dbraw/zinc/53/21/02/859532102.db2.gz UUXZRATWDKWIAN-MELADBBJSA-N 2 1 352.483 0.850 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268449403 859533784 /nfs/dbraw/zinc/53/37/84/859533784.db2.gz BQKSVSXXMYMFOS-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)CC(C)C)CC[N@@H+]1C ZINC001271261582 859928092 /nfs/dbraw/zinc/92/80/92/859928092.db2.gz NUMLZVIKKDNBMN-SOUVJXGZSA-N 2 1 351.499 0.561 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)CC(C)C)CC[N@H+]1C ZINC001271261582 859928097 /nfs/dbraw/zinc/92/80/97/859928097.db2.gz NUMLZVIKKDNBMN-SOUVJXGZSA-N 2 1 351.499 0.561 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)s2)CC[N@@H+]1C ZINC001272426347 860155186 /nfs/dbraw/zinc/15/51/86/860155186.db2.gz SRAWTNITNKSWIG-MELADBBJSA-N 2 1 367.519 0.713 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)s2)CC[N@H+]1C ZINC001272426347 860155194 /nfs/dbraw/zinc/15/51/94/860155194.db2.gz SRAWTNITNKSWIG-MELADBBJSA-N 2 1 367.519 0.713 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001280764730 863448499 /nfs/dbraw/zinc/44/84/99/863448499.db2.gz YPVOECVBXWVKCG-KLHDSHLOSA-N 2 1 350.507 0.822 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC001280815240 863450093 /nfs/dbraw/zinc/45/00/93/863450093.db2.gz YZJHUARYTORZKM-JKSUJKDBSA-N 2 1 353.511 0.522 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001280815240 863450099 /nfs/dbraw/zinc/45/00/99/863450099.db2.gz YZJHUARYTORZKM-JKSUJKDBSA-N 2 1 353.511 0.522 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001280815240 863450105 /nfs/dbraw/zinc/45/01/05/863450105.db2.gz YZJHUARYTORZKM-JKSUJKDBSA-N 2 1 353.511 0.522 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3nncs3)CCOCC2)CC[N@@H+]1C ZINC001281240416 863493496 /nfs/dbraw/zinc/49/34/96/863493496.db2.gz WMENAAJLNQJJTF-CHWSQXEVSA-N 2 1 353.492 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3nncs3)CCOCC2)CC[N@H+]1C ZINC001281240416 863493499 /nfs/dbraw/zinc/49/34/99/863493499.db2.gz WMENAAJLNQJJTF-CHWSQXEVSA-N 2 1 353.492 0.633 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)[NH+](C)C 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QZGIYNRUTONXSW-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001288979308 864836544 /nfs/dbraw/zinc/83/65/44/864836544.db2.gz QZGIYNRUTONXSW-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001289486337 865092408 /nfs/dbraw/zinc/09/24/08/865092408.db2.gz PSRYPNNQEARCGQ-KLHDSHLOSA-N 2 1 354.495 0.009 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001289486337 865092420 /nfs/dbraw/zinc/09/24/20/865092420.db2.gz PSRYPNNQEARCGQ-KLHDSHLOSA-N 2 1 354.495 0.009 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001289486337 865092431 /nfs/dbraw/zinc/09/24/31/865092431.db2.gz PSRYPNNQEARCGQ-KLHDSHLOSA-N 2 1 354.495 0.009 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OC ZINC001289487424 865093189 /nfs/dbraw/zinc/09/31/89/865093189.db2.gz LZQDCDDLZFAZBP-KLHDSHLOSA-N 2 1 354.495 0.010 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OC ZINC001289520555 865117112 /nfs/dbraw/zinc/11/71/12/865117112.db2.gz VXGIUADMLFFXFZ-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001289530471 865121655 /nfs/dbraw/zinc/12/16/55/865121655.db2.gz ZDUYACRWBWTVGD-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001289530471 865121658 /nfs/dbraw/zinc/12/16/58/865121658.db2.gz ZDUYACRWBWTVGD-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001289530471 865121661 /nfs/dbraw/zinc/12/16/61/865121661.db2.gz ZDUYACRWBWTVGD-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001290933065 865561360 /nfs/dbraw/zinc/56/13/60/865561360.db2.gz OOQLOQYUXVAFFV-INMHGKMJSA-N 2 1 350.507 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O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001352568791 867180343 /nfs/dbraw/zinc/18/03/43/867180343.db2.gz ZJXYZVLETXKSGM-ROUUACIJSA-N 2 1 353.507 0.983 10 0 FCAEMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001316794173 867493299 /nfs/dbraw/zinc/49/32/99/867493299.db2.gz KARHOHPPROUAIJ-OLMNPRSZSA-N 2 1 353.507 0.695 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001316958162 867511398 /nfs/dbraw/zinc/51/13/98/867511398.db2.gz OTMQHZOHKMUORN-FGTMMUONSA-N 2 1 352.523 0.487 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001317787127 867558229 /nfs/dbraw/zinc/55/82/29/867558229.db2.gz FEHMUSFXGJPFLB-HLLBOEOZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001317787127 867558237 /nfs/dbraw/zinc/55/82/37/867558237.db2.gz FEHMUSFXGJPFLB-HLLBOEOZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001317787127 867558246 /nfs/dbraw/zinc/55/82/46/867558246.db2.gz FEHMUSFXGJPFLB-HLLBOEOZSA-N 2 1 350.507 0.776 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cn1 ZINC001354701810 867651182 /nfs/dbraw/zinc/65/11/82/867651182.db2.gz TUKMQPNRMIFYRN-INIZCTEOSA-N 2 1 350.467 0.820 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001318802059 867754410 /nfs/dbraw/zinc/75/44/10/867754410.db2.gz ANLOBHUTSVOOCR-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001319459607 867922761 /nfs/dbraw/zinc/92/27/61/867922761.db2.gz APZAODABZFUCQW-SOUVJXGZSA-N 2 1 351.499 0.750 10 0 FCAEMP CCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001319459607 867922779 /nfs/dbraw/zinc/92/27/79/867922779.db2.gz APZAODABZFUCQW-SOUVJXGZSA-N 2 1 351.499 0.750 10 0 FCAEMP C[C@@H](C[NH2+]Cc1ncnn1CC(F)F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319463211 867924604 /nfs/dbraw/zinc/92/46/04/867924604.db2.gz YZAQCCKXZSASDM-YNEHKIRRSA-N 2 1 358.437 0.820 10 0 FCAEMP C[C@@H](C[NH2+]Cc1ncnn1CC(F)F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319463211 867924614 /nfs/dbraw/zinc/92/46/14/867924614.db2.gz YZAQCCKXZSASDM-YNEHKIRRSA-N 2 1 358.437 0.820 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(OC)n2)CC[N@H+]1C ZINC001320233946 868117249 /nfs/dbraw/zinc/11/72/49/868117249.db2.gz SSKNLAWNLDALFJ-OWCLPIDISA-N 2 1 350.463 0.387 10 0 FCAEMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325338865 869855012 /nfs/dbraw/zinc/85/50/12/869855012.db2.gz NGEDJIWIXAREMF-CVEARBPZSA-N 2 1 350.438 0.803 10 0 FCAEMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325338865 869855029 /nfs/dbraw/zinc/85/50/29/869855029.db2.gz NGEDJIWIXAREMF-CVEARBPZSA-N 2 1 350.438 0.803 10 0 FCAEMP Cc1nn(C)c(Cl)c1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001326024313 870144365 /nfs/dbraw/zinc/14/43/65/870144365.db2.gz SVLOJNWFCFLRLO-ZIAGYGMSSA-N 2 1 371.913 0.633 10 0 FCAEMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001344256191 870786272 /nfs/dbraw/zinc/78/62/72/870786272.db2.gz ZLFRVYBSHVEWGF-ARFHVFGLSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001327981353 871168702 /nfs/dbraw/zinc/16/87/02/871168702.db2.gz DGMKQEFIUOZEMV-HZPDHXFCSA-N 2 1 350.507 0.920 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC001346156041 871673714 /nfs/dbraw/zinc/67/37/14/871673714.db2.gz LWBJKQVHQAGHMF-HIFRSBDPSA-N 2 1 350.467 0.324 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001346242929 871723398 /nfs/dbraw/zinc/72/33/98/871723398.db2.gz OCIUGGFBJWCZFA-BZUAXINKSA-N 2 1 350.507 0.491 10 0 FCAEMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001329822285 872284916 /nfs/dbraw/zinc/28/49/16/872284916.db2.gz NQIGRPSURNOTIB-CABCVRRESA-N 2 1 350.438 0.883 10 0 FCAEMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001329822285 872284933 /nfs/dbraw/zinc/28/49/33/872284933.db2.gz NQIGRPSURNOTIB-CABCVRRESA-N 2 1 350.438 0.883 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001347609930 872417119 /nfs/dbraw/zinc/41/71/19/872417119.db2.gz WRQAFLWNQPRSNG-VQHPVUNQSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001347609930 872417135 /nfs/dbraw/zinc/41/71/35/872417135.db2.gz WRQAFLWNQPRSNG-VQHPVUNQSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001347609930 872417145 /nfs/dbraw/zinc/41/71/45/872417145.db2.gz WRQAFLWNQPRSNG-VQHPVUNQSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001348865505 872816211 /nfs/dbraw/zinc/81/62/11/872816211.db2.gz WLJQSGFFPHHMRW-QAPCUYQASA-N 2 1 350.507 0.382 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC001332041295 873347830 /nfs/dbraw/zinc/34/78/30/873347830.db2.gz MLCKBVOEKUZTFU-YESZJQIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@H+]1C ZINC001332041295 873347841 /nfs/dbraw/zinc/34/78/41/873347841.db2.gz MLCKBVOEKUZTFU-YESZJQIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC[NH+]1C ZINC001332041295 873347851 /nfs/dbraw/zinc/34/78/51/873347851.db2.gz MLCKBVOEKUZTFU-YESZJQIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC[NH+]1C ZINC001332041295 873347862 /nfs/dbraw/zinc/34/78/62/873347862.db2.gz MLCKBVOEKUZTFU-YESZJQIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC001332041293 873348133 /nfs/dbraw/zinc/34/81/33/873348133.db2.gz MLCKBVOEKUZTFU-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@H+]1C ZINC001332041293 873348141 /nfs/dbraw/zinc/34/81/41/873348141.db2.gz MLCKBVOEKUZTFU-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC[NH+]1C ZINC001332041293 873348151 /nfs/dbraw/zinc/34/81/51/873348151.db2.gz MLCKBVOEKUZTFU-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC[NH+]1C ZINC001332041293 873348159 /nfs/dbraw/zinc/34/81/59/873348159.db2.gz MLCKBVOEKUZTFU-GVDBMIGSSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2snnc2C)CC[N@H+]1C ZINC001332519162 873542402 /nfs/dbraw/zinc/54/24/02/873542402.db2.gz ZFEHKSUTYBYMNZ-HZSPNIEDSA-N 2 1 355.508 0.486 10 0 FCAEMP 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ZINC000293022858 214139192 /nfs/dbraw/zinc/13/91/92/214139192.db2.gz QXEMWCAUTIPYEP-IBGZPJMESA-N 2 1 374.489 0.242 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@@]3(C1)CCC[N@@H+](C)C3)c(=O)n2C ZINC000293022858 214139195 /nfs/dbraw/zinc/13/91/95/214139195.db2.gz QXEMWCAUTIPYEP-IBGZPJMESA-N 2 1 374.489 0.242 10 0 FCAEMP COCC1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC[NH2+]CC1 ZINC000333679467 215307817 /nfs/dbraw/zinc/30/78/17/215307817.db2.gz OOOZHSYIIGTRCF-HZPDHXFCSA-N 2 1 354.495 0.507 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000284284013 213103692 /nfs/dbraw/zinc/10/36/92/213103692.db2.gz ATHSFMHGQLAWFK-DOTOQJQBSA-N 2 1 360.502 0.874 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCCOCC3)CC2)CC1 ZINC000931290989 674107504 /nfs/dbraw/zinc/10/75/04/674107504.db2.gz JWOGWVOKCDHFND-QGZVFWFLSA-N 2 1 352.523 0.726 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC000931290989 674107506 /nfs/dbraw/zinc/10/75/06/674107506.db2.gz JWOGWVOKCDHFND-QGZVFWFLSA-N 2 1 352.523 0.726 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000415290215 245379283 /nfs/dbraw/zinc/37/92/83/245379283.db2.gz CBAHKHAYDFUTML-IJEWVQPXSA-N 2 1 360.458 0.794 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000415290215 245379287 /nfs/dbraw/zinc/37/92/87/245379287.db2.gz CBAHKHAYDFUTML-IJEWVQPXSA-N 2 1 360.458 0.794 10 0 FCAEMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)C[C@@H](C)O1 ZINC000415290212 245380444 /nfs/dbraw/zinc/38/04/44/245380444.db2.gz CBAHKHAYDFUTML-IIAWOOMASA-N 2 1 360.458 0.794 10 0 FCAEMP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000931566519 674120100 /nfs/dbraw/zinc/12/01/00/674120100.db2.gz FSLKZPCHKMKPCQ-OAHLLOKOSA-N 2 1 350.467 0.820 10 0 FCAEMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)C[C@@H](C)O1 ZINC000415338418 245390044 /nfs/dbraw/zinc/39/00/44/245390044.db2.gz ZDBASBCKNRVHPW-CKEIUWERSA-N 2 1 360.458 0.712 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@H+]1C1CC1 ZINC000419317202 246097863 /nfs/dbraw/zinc/09/78/63/246097863.db2.gz MNDWJKRACFYWTL-ZLJBEDRVSA-N 2 1 374.529 0.998 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419330688 246100299 /nfs/dbraw/zinc/10/02/99/246100299.db2.gz IGDSIQLSXKYANH-ZBWGEAGCSA-N 2 1 374.529 0.855 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCNC[C@@H]2c2cccnc2)C1 ZINC000419409631 246142060 /nfs/dbraw/zinc/14/20/60/246142060.db2.gz NHMPCAYWBANMNU-DOTOQJQBSA-N 2 1 359.474 0.403 10 0 FCAEMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000419409631 246142063 /nfs/dbraw/zinc/14/20/63/246142063.db2.gz NHMPCAYWBANMNU-DOTOQJQBSA-N 2 1 359.474 0.403 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000419409631 246142068 /nfs/dbraw/zinc/14/20/68/246142068.db2.gz NHMPCAYWBANMNU-DOTOQJQBSA-N 2 1 359.474 0.403 10 0 FCAEMP 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OTGVCNXPYNLXMY-UHFFFAOYSA-N 2 1 363.462 0.644 10 0 FCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000299236168 489422389 /nfs/dbraw/zinc/42/23/89/489422389.db2.gz HLBYDDWBEMIJOQ-SFHVURJKSA-N 2 1 373.501 0.968 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000299236168 489422392 /nfs/dbraw/zinc/42/23/92/489422392.db2.gz HLBYDDWBEMIJOQ-SFHVURJKSA-N 2 1 373.501 0.968 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000451459707 489505492 /nfs/dbraw/zinc/50/54/92/489505492.db2.gz IFKFJNBYRVPVCY-JOCBIADPSA-N 2 1 353.507 0.863 10 0 FCAEMP CN(C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423275479 489510271 /nfs/dbraw/zinc/51/02/71/489510271.db2.gz NBXCNPHYMSGEJP-IRXDYDNUSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000415502672 489525675 /nfs/dbraw/zinc/52/56/75/489525675.db2.gz CBAHKHAYDFUTML-DZKIICNBSA-N 2 1 360.458 0.794 10 0 FCAEMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415511211 489526049 /nfs/dbraw/zinc/52/60/49/489526049.db2.gz NPEHYFVGJZXCLM-KFWWJZLASA-N 2 1 362.474 0.945 10 0 FCAEMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415511211 489526051 /nfs/dbraw/zinc/52/60/51/489526051.db2.gz NPEHYFVGJZXCLM-KFWWJZLASA-N 2 1 362.474 0.945 10 0 FCAEMP C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000451881396 489527512 /nfs/dbraw/zinc/52/75/12/489527512.db2.gz PQNQXOOWZDJEBN-CQSZACIVSA-N 2 1 350.429 0.967 10 0 FCAEMP C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000451881396 489527513 /nfs/dbraw/zinc/52/75/13/489527513.db2.gz PQNQXOOWZDJEBN-CQSZACIVSA-N 2 1 350.429 0.967 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c2)C[C@H](C)O1 ZINC000415732949 489548008 /nfs/dbraw/zinc/54/80/08/489548008.db2.gz HNKMKMMTJXDZGB-OKILXGFUSA-N 2 1 360.458 0.665 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c2)C[C@H](C)O1 ZINC000415732949 489548010 /nfs/dbraw/zinc/54/80/10/489548010.db2.gz HNKMKMMTJXDZGB-OKILXGFUSA-N 2 1 360.458 0.665 10 0 FCAEMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000415771666 489551813 /nfs/dbraw/zinc/55/18/13/489551813.db2.gz DAWMESLGQNFZNS-GOSISDBHSA-N 2 1 350.438 0.889 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000416297992 489579839 /nfs/dbraw/zinc/57/98/39/489579839.db2.gz QEHLJEBQZXSWCW-IRXDYDNUSA-N 2 1 353.507 0.935 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)cc2)CC1 ZINC000457102683 489635715 /nfs/dbraw/zinc/63/57/15/489635715.db2.gz BPFNRMRWPZNJJH-KRWDZBQOSA-N 2 1 360.502 0.967 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)cc2)CC1 ZINC000457102683 489635718 /nfs/dbraw/zinc/63/57/18/489635718.db2.gz BPFNRMRWPZNJJH-KRWDZBQOSA-N 2 1 360.502 0.967 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962885 489636771 /nfs/dbraw/zinc/63/67/71/489636771.db2.gz YTLDDVWWJNJEIC-CVEARBPZSA-N 2 1 361.494 0.286 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H]1c1ccccc1 ZINC000417932971 489672045 /nfs/dbraw/zinc/67/20/45/489672045.db2.gz DJDPFXVRCPBVQC-OKZBNKHCSA-N 2 1 373.501 0.928 10 0 FCAEMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)ccn1 ZINC000417953272 489673180 /nfs/dbraw/zinc/67/31/80/489673180.db2.gz PDRYYTMGRKZVSA-QGZVFWFLSA-N 2 1 353.442 0.865 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000458542989 489688160 /nfs/dbraw/zinc/68/81/60/489688160.db2.gz CFBKGFRWAVJUSX-BZSNNMDCSA-N 2 1 368.522 0.510 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000458542992 489688217 /nfs/dbraw/zinc/68/82/17/489688217.db2.gz CFBKGFRWAVJUSX-RCCFBDPRSA-N 2 1 368.522 0.510 10 0 FCAEMP CCC[NH2+]CCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000418492815 489701612 /nfs/dbraw/zinc/70/16/12/489701612.db2.gz WDVTZQVCHUVZEE-UHFFFAOYSA-N 2 1 353.511 0.572 10 0 FCAEMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756652 489723434 /nfs/dbraw/zinc/72/34/34/489723434.db2.gz YLNUANUXBHSDFI-RDJZCZTQSA-N 2 1 368.428 0.920 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[N@H+]1Cc1ccccc1 ZINC000418810928 489734021 /nfs/dbraw/zinc/73/40/21/489734021.db2.gz HOHQPPLQQOAPLH-LQWHRVPQSA-N 2 1 370.497 0.978 10 0 FCAEMP O=C(C[N@H+]1CCC[C@@](O)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000459648948 489744408 /nfs/dbraw/zinc/74/44/08/489744408.db2.gz QHXILSSYMFVYPV-FQEVSTJZSA-N 2 1 361.486 0.718 10 0 FCAEMP O=C(C[N@@H+]1CCC[C@@](O)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000459648948 489744412 /nfs/dbraw/zinc/74/44/12/489744412.db2.gz QHXILSSYMFVYPV-FQEVSTJZSA-N 2 1 361.486 0.718 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(CO)CCSCC2)C1 ZINC000459699805 489749061 /nfs/dbraw/zinc/74/90/61/489749061.db2.gz AENVSMQVHBAHKT-HNNXBMFYSA-N 2 1 359.536 0.307 10 0 FCAEMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418875641 489769573 /nfs/dbraw/zinc/76/95/73/489769573.db2.gz DPQPWQBYDFDYCJ-IRXDYDNUSA-N 2 1 360.458 0.425 10 0 FCAEMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418875641 489769577 /nfs/dbraw/zinc/76/95/77/489769577.db2.gz DPQPWQBYDFDYCJ-IRXDYDNUSA-N 2 1 360.458 0.425 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000418879913 489772758 /nfs/dbraw/zinc/77/27/58/489772758.db2.gz OEFLQHSKOZWCBK-BMGDILEWSA-N 2 1 372.469 0.649 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000418879913 489772761 /nfs/dbraw/zinc/77/27/61/489772761.db2.gz OEFLQHSKOZWCBK-BMGDILEWSA-N 2 1 372.469 0.649 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418886122 489775243 /nfs/dbraw/zinc/77/52/43/489775243.db2.gz ZWGXWJNHOWSPBM-ROUUACIJSA-N 2 1 374.485 0.767 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418886122 489775247 /nfs/dbraw/zinc/77/52/47/489775247.db2.gz ZWGXWJNHOWSPBM-ROUUACIJSA-N 2 1 374.485 0.767 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418900425 489782180 /nfs/dbraw/zinc/78/21/80/489782180.db2.gz DAKBNGWSXSSNBE-ROUUACIJSA-N 2 1 356.470 0.974 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459928083 489796961 /nfs/dbraw/zinc/79/69/61/489796961.db2.gz XGRCPZYBXLUXSR-IPMKNSEASA-N 2 1 370.497 0.882 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459928083 489796966 /nfs/dbraw/zinc/79/69/66/489796966.db2.gz XGRCPZYBXLUXSR-IPMKNSEASA-N 2 1 370.497 0.882 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459928083 489796971 /nfs/dbraw/zinc/79/69/71/489796971.db2.gz XGRCPZYBXLUXSR-IPMKNSEASA-N 2 1 370.497 0.882 10 0 FCAEMP 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CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[N@H+]1CCOC ZINC000420107970 489914952 /nfs/dbraw/zinc/91/49/52/489914952.db2.gz BOYRIKAZRPCBFN-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420131588 489924115 /nfs/dbraw/zinc/92/41/15/489924115.db2.gz ZCLCVTKSNBXTPU-SJLPKXTDSA-N 2 1 358.486 0.835 10 0 FCAEMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000420137816 489926599 /nfs/dbraw/zinc/92/65/99/489926599.db2.gz WIOJQYYEJUGPPD-WBVHZDCISA-N 2 1 374.485 0.503 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420210116 489953908 /nfs/dbraw/zinc/95/39/08/489953908.db2.gz NBRKBLRNYTYHDJ-ZHCJQAHYSA-N 2 1 350.507 0.870 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000477678763 489984118 /nfs/dbraw/zinc/98/41/18/489984118.db2.gz NONPBELWIBXMOT-INIZCTEOSA-N 2 1 354.495 0.062 10 0 FCAEMP 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UKOZSOWIUYSORC-CABCVRRESA-N 2 1 350.463 0.941 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000668356647 493339449 /nfs/dbraw/zinc/33/94/49/493339449.db2.gz UKOZSOWIUYSORC-CABCVRRESA-N 2 1 350.463 0.941 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000573201043 491419000 /nfs/dbraw/zinc/41/90/00/491419000.db2.gz ABPGGBSZQRTFQZ-KBPBESRZSA-N 2 1 368.503 0.433 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000558245899 491422535 /nfs/dbraw/zinc/42/25/35/491422535.db2.gz LCHDEJIEVWDDTJ-QZTJIDSGSA-N 2 1 352.523 0.628 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000558245899 491422537 /nfs/dbraw/zinc/42/25/37/491422537.db2.gz LCHDEJIEVWDDTJ-QZTJIDSGSA-N 2 1 352.523 0.628 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000558245899 491422540 /nfs/dbraw/zinc/42/25/40/491422540.db2.gz LCHDEJIEVWDDTJ-QZTJIDSGSA-N 2 1 352.523 0.628 10 0 FCAEMP 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FCAEMP C[NH2+]CCOCCNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000627174987 493100611 /nfs/dbraw/zinc/10/06/11/493100611.db2.gz QYTRDPJEZQUQGR-UHFFFAOYSA-N 2 1 355.527 0.422 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000627173816 493101024 /nfs/dbraw/zinc/10/10/24/493101024.db2.gz GKAOYXNVBFSVCE-MSOLQXFVSA-N 2 1 364.490 0.405 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627197837 493106485 /nfs/dbraw/zinc/10/64/85/493106485.db2.gz FTOZEOYCGHQCAS-NVXWUHKLSA-N 2 1 365.522 0.713 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000633074839 493115015 /nfs/dbraw/zinc/11/50/15/493115015.db2.gz BRLBGGXMGKBVJJ-SJLPKXTDSA-N 2 1 358.486 0.427 10 0 FCAEMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633094650 493122309 /nfs/dbraw/zinc/12/23/09/493122309.db2.gz LLWFVBNCONPNEJ-CVEARBPZSA-N 2 1 366.506 0.428 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 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C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659700548 493261260 /nfs/dbraw/zinc/26/12/60/493261260.db2.gz NNLNOCKRYJZKCM-IKNQFMJRSA-N 2 1 356.470 0.573 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659702003 493262745 /nfs/dbraw/zinc/26/27/45/493262745.db2.gz KPKBWXDQFFCYCL-KSZLIROESA-N 2 1 362.518 0.968 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000659706159 493264315 /nfs/dbraw/zinc/26/43/15/493264315.db2.gz FDZNGSHNVSUWPS-DSRNLFJRSA-N 2 1 356.470 0.634 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000672901461 493264460 /nfs/dbraw/zinc/26/44/60/493264460.db2.gz QMHRRYNYCPYQEV-QZTJIDSGSA-N 2 1 352.523 0.774 10 0 FCAEMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672901461 493264463 /nfs/dbraw/zinc/26/44/63/493264463.db2.gz QMHRRYNYCPYQEV-QZTJIDSGSA-N 2 1 352.523 0.774 10 0 FCAEMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000672901461 493264468 /nfs/dbraw/zinc/26/44/68/493264468.db2.gz QMHRRYNYCPYQEV-QZTJIDSGSA-N 2 1 352.523 0.774 10 0 FCAEMP [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740065 493280271 /nfs/dbraw/zinc/28/02/71/493280271.db2.gz KBNZYALZKPRUDB-MSOLQXFVSA-N 2 1 370.497 0.965 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1CS(=O)(=O)C1 ZINC000682480450 493302833 /nfs/dbraw/zinc/30/28/33/493302833.db2.gz BUPMSOOQOJYJAD-MRXNPFEDSA-N 2 1 374.551 0.479 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673269550 493309621 /nfs/dbraw/zinc/30/96/21/493309621.db2.gz VPMBYCJFXNAYRH-INIZCTEOSA-N 2 1 359.474 0.625 10 0 FCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673299672 493313987 /nfs/dbraw/zinc/31/39/87/493313987.db2.gz GVMXZQWXWVRFKV-ZACQAIPSSA-N 2 1 371.485 0.862 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000673424318 493326771 /nfs/dbraw/zinc/32/67/71/493326771.db2.gz UZWIRXCDFYYSSC-QZTJIDSGSA-N 2 1 374.485 0.080 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000673424318 493326772 /nfs/dbraw/zinc/32/67/72/493326772.db2.gz UZWIRXCDFYYSSC-QZTJIDSGSA-N 2 1 374.485 0.080 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000673424318 493326773 /nfs/dbraw/zinc/32/67/73/493326773.db2.gz UZWIRXCDFYYSSC-QZTJIDSGSA-N 2 1 374.485 0.080 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000668512068 493368002 /nfs/dbraw/zinc/36/80/02/493368002.db2.gz NJOYQRMLMJGZHW-OAHLLOKOSA-N 2 1 354.495 0.204 10 0 FCAEMP COCC1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOCC1 ZINC000660632063 493368256 /nfs/dbraw/zinc/36/82/56/493368256.db2.gz SQIPWJDGRKYUTJ-MRXNPFEDSA-N 2 1 357.495 0.245 10 0 FCAEMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCSC1 ZINC000668527466 493371097 /nfs/dbraw/zinc/37/10/97/493371097.db2.gz WFPKJOHWYOZAJB-SUMWQHHRSA-N 2 1 356.536 0.529 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660686079 493372014 /nfs/dbraw/zinc/37/20/14/493372014.db2.gz KBINRZNRSDWPGR-MRXNPFEDSA-N 2 1 360.506 0.795 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000668585181 493380424 /nfs/dbraw/zinc/38/04/24/493380424.db2.gz JBXHRIGGTZBWJX-BRWVUGGUSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[N@H+]1CCCN(CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000660797669 493380601 /nfs/dbraw/zinc/38/06/01/493380601.db2.gz ZZWGBTMAVDURSQ-ROUUACIJSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[NH+]1CCCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000660797669 493380603 /nfs/dbraw/zinc/38/06/03/493380603.db2.gz ZZWGBTMAVDURSQ-ROUUACIJSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[NH+]1CCCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC000660797669 493380606 /nfs/dbraw/zinc/38/06/06/493380606.db2.gz ZZWGBTMAVDURSQ-ROUUACIJSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668777027 493409140 /nfs/dbraw/zinc/40/91/40/493409140.db2.gz LRYMYNIOECOOIU-JKSUJKDBSA-N 2 1 356.511 0.402 10 0 FCAEMP CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000668783195 493409833 /nfs/dbraw/zinc/40/98/33/493409833.db2.gz LMUQJFQALKNPHJ-UHFFFAOYSA-N 2 1 355.508 0.749 10 0 FCAEMP c1cn(C[C@H]2CC[NH+](CCCC[N@H+]3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000661146500 493412677 /nfs/dbraw/zinc/41/26/77/493412677.db2.gz UCLKNZIQXATEOJ-ROUUACIJSA-N 2 1 358.494 0.994 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000668830506 493417376 /nfs/dbraw/zinc/41/73/76/493417376.db2.gz DNTKDFICKDXLCR-QGZVFWFLSA-N 2 1 368.522 0.546 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501311 493443714 /nfs/dbraw/zinc/44/37/14/493443714.db2.gz WGHWEWURAAIROK-YTQUADARSA-N 2 1 353.507 0.818 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501311 493443715 /nfs/dbraw/zinc/44/37/15/493443715.db2.gz WGHWEWURAAIROK-YTQUADARSA-N 2 1 353.507 0.818 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501311 493443716 /nfs/dbraw/zinc/44/37/16/493443716.db2.gz WGHWEWURAAIROK-YTQUADARSA-N 2 1 353.507 0.818 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000669250357 493482539 /nfs/dbraw/zinc/48/25/39/493482539.db2.gz JKIMVYJTXMYHAQ-IRXDYDNUSA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000669250357 493482543 /nfs/dbraw/zinc/48/25/43/493482543.db2.gz JKIMVYJTXMYHAQ-IRXDYDNUSA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000669250357 493482546 /nfs/dbraw/zinc/48/25/46/493482546.db2.gz JKIMVYJTXMYHAQ-IRXDYDNUSA-N 2 1 368.522 0.546 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000675542164 493488889 /nfs/dbraw/zinc/48/88/89/493488889.db2.gz PFGKAYZXAJDIFZ-MRXNPFEDSA-N 2 1 353.511 0.666 10 0 FCAEMP O=C(CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCCCCC1 ZINC000662259985 493500644 /nfs/dbraw/zinc/50/06/44/493500644.db2.gz DJIGREAYKZAWJP-QGZVFWFLSA-N 2 1 350.507 0.528 10 0 FCAEMP CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662261989 493501247 /nfs/dbraw/zinc/50/12/47/493501247.db2.gz CQCIRBZRRGCTDL-GJZGRUSLSA-N 2 1 365.478 0.806 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000669402982 493502532 /nfs/dbraw/zinc/50/25/32/493502532.db2.gz DACOECLUNNFTHP-OWCLPIDISA-N 2 1 351.495 0.370 10 0 FCAEMP O=C1[C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662297260 493504875 /nfs/dbraw/zinc/50/48/75/493504875.db2.gz DJPWAXZTUKAQLB-YESZJQIVSA-N 2 1 355.438 0.624 10 0 FCAEMP COCCCNC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338997 493507414 /nfs/dbraw/zinc/50/74/14/493507414.db2.gz YXOWARPONRFZRE-HNNXBMFYSA-N 2 1 364.494 0.151 10 0 FCAEMP COCCCNC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338997 493507418 /nfs/dbraw/zinc/50/74/18/493507418.db2.gz YXOWARPONRFZRE-HNNXBMFYSA-N 2 1 364.494 0.151 10 0 FCAEMP CC12CC(C1)C[NH+]2CC(=O)N1CCN(C(=O)C[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662379596 493511308 /nfs/dbraw/zinc/51/13/08/493511308.db2.gz FFZLSGIXHKTRPI-UHFFFAOYSA-N 2 1 360.502 0.626 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662437162 493515159 /nfs/dbraw/zinc/51/51/59/493515159.db2.gz NAJKNZZDTXYKLN-HIFRSBDPSA-N 2 1 362.478 0.159 10 0 FCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676094031 493523639 /nfs/dbraw/zinc/52/36/39/493523639.db2.gz ZNFXTPBDBMZAKC-AWEZNQCLSA-N 2 1 350.467 0.231 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662753362 493538414 /nfs/dbraw/zinc/53/84/14/493538414.db2.gz YUGDHDYBBSYEMB-SJORKVTESA-N 2 1 360.458 0.305 10 0 FCAEMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662757193 493539612 /nfs/dbraw/zinc/53/96/12/493539612.db2.gz HHMGQVGKJJSDTE-UHFFFAOYSA-N 2 1 359.474 0.717 10 0 FCAEMP [NH3+]C1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC2(CCC2)C1 ZINC000662758887 493539794 /nfs/dbraw/zinc/53/97/94/493539794.db2.gz UZEZLEMUYXFREW-UHFFFAOYSA-N 2 1 358.490 0.767 10 0 FCAEMP Cc1c(C[NH3+])c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000662838292 493545848 /nfs/dbraw/zinc/54/58/48/493545848.db2.gz XKWNRTNAHFXVJT-UHFFFAOYSA-N 2 1 356.474 0.944 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000662925498 493554425 /nfs/dbraw/zinc/55/44/25/493554425.db2.gz ADAVAZJIGIVGBX-HZPDHXFCSA-N 2 1 354.495 0.189 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)O1 ZINC000662927746 493554990 /nfs/dbraw/zinc/55/49/90/493554990.db2.gz HGDSINFHBMEJFP-DOWLLFGTSA-N 2 1 364.490 0.036 10 0 FCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H](C)O1 ZINC000662927746 493554992 /nfs/dbraw/zinc/55/49/92/493554992.db2.gz HGDSINFHBMEJFP-DOWLLFGTSA-N 2 1 364.490 0.036 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662938139 493556828 /nfs/dbraw/zinc/55/68/28/493556828.db2.gz LIEVRSBWCGDREB-GNZRSQJKSA-N 2 1 356.470 0.669 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[C@H]1F ZINC000662943893 493557965 /nfs/dbraw/zinc/55/79/65/493557965.db2.gz DHDQTQVZZWUXAK-MIGQKNRLSA-N 2 1 352.454 0.359 10 0 FCAEMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550663 493596544 /nfs/dbraw/zinc/59/65/44/493596544.db2.gz CYYNOULJOPMYIH-SOLBZPMBSA-N 2 1 368.522 0.726 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550663 493596545 /nfs/dbraw/zinc/59/65/45/493596545.db2.gz CYYNOULJOPMYIH-SOLBZPMBSA-N 2 1 368.522 0.726 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550663 493596547 /nfs/dbraw/zinc/59/65/47/493596547.db2.gz CYYNOULJOPMYIH-SOLBZPMBSA-N 2 1 368.522 0.726 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@@H](C)O1 ZINC000663550662 493596643 /nfs/dbraw/zinc/59/66/43/493596643.db2.gz CYYNOULJOPMYIH-NUJGCVRESA-N 2 1 368.522 0.726 10 0 FCAEMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000670885285 493609004 /nfs/dbraw/zinc/60/90/04/493609004.db2.gz NPKALCBWDZSIBX-MRXNPFEDSA-N 2 1 362.474 0.454 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000670991019 493621699 /nfs/dbraw/zinc/62/16/99/493621699.db2.gz GWRYCMLNWBPKDS-SFHVURJKSA-N 2 1 358.486 0.761 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000670991019 493621700 /nfs/dbraw/zinc/62/17/00/493621700.db2.gz GWRYCMLNWBPKDS-SFHVURJKSA-N 2 1 358.486 0.761 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000670991019 493621702 /nfs/dbraw/zinc/62/17/02/493621702.db2.gz GWRYCMLNWBPKDS-SFHVURJKSA-N 2 1 358.486 0.761 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671099268 493632842 /nfs/dbraw/zinc/63/28/42/493632842.db2.gz BALIOHGVLNAQIX-DLBZAZTESA-N 2 1 350.507 0.968 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671106899 493635651 /nfs/dbraw/zinc/63/56/51/493635651.db2.gz DXVXHQMCISVJKG-SJJHQCBESA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664732285 493680379 /nfs/dbraw/zinc/68/03/79/493680379.db2.gz TYFDQGGECSSMFQ-SFHVURJKSA-N 2 1 364.490 0.631 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000665082679 493698180 /nfs/dbraw/zinc/69/81/80/493698180.db2.gz QBZLFHBSCKWAOH-ARFHVFGLSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000665082679 493698182 /nfs/dbraw/zinc/69/81/82/493698182.db2.gz QBZLFHBSCKWAOH-ARFHVFGLSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnn(C(C)(C)C)n1 ZINC000665256969 493707395 /nfs/dbraw/zinc/70/73/95/493707395.db2.gz UHDBZWWWZGNZJU-ZDUSSCGKSA-N 2 1 354.503 0.499 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnn(C(C)(C)C)n1 ZINC000665256969 493707396 /nfs/dbraw/zinc/70/73/96/493707396.db2.gz UHDBZWWWZGNZJU-ZDUSSCGKSA-N 2 1 354.503 0.499 10 0 FCAEMP CC(C)CN1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000665762026 493734165 /nfs/dbraw/zinc/73/41/65/493734165.db2.gz YFFJCJRGZWVMRA-INIZCTEOSA-N 2 1 355.527 0.768 10 0 FCAEMP CC(C)CN1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000665762026 493734166 /nfs/dbraw/zinc/73/41/66/493734166.db2.gz YFFJCJRGZWVMRA-INIZCTEOSA-N 2 1 355.527 0.768 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000665762763 493735600 /nfs/dbraw/zinc/73/56/00/493735600.db2.gz PHGINNMYMVMPRO-KBPBESRZSA-N 2 1 350.454 0.918 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000665762763 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354.495 0.156 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]C)CC2)CC[N@H+]1CCOC ZINC000423532780 535733709 /nfs/dbraw/zinc/73/37/09/535733709.db2.gz VSVJELOWHAVYQE-INIZCTEOSA-N 2 1 354.495 0.156 10 0 FCAEMP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1cccs1 ZINC000419564639 536385373 /nfs/dbraw/zinc/38/53/73/536385373.db2.gz YJCHLNGIVLCYBC-YPMHNXCESA-N 2 1 374.457 0.957 10 0 FCAEMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1c1cccs1 ZINC000419564639 536385377 /nfs/dbraw/zinc/38/53/77/536385377.db2.gz YJCHLNGIVLCYBC-YPMHNXCESA-N 2 1 374.457 0.957 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000080151826 546568525 /nfs/dbraw/zinc/56/85/25/546568525.db2.gz HBRVLMCDCMWQGJ-MRXNPFEDSA-N 2 1 350.467 0.773 10 0 FCAEMP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000458719868 546929176 /nfs/dbraw/zinc/92/91/76/546929176.db2.gz DUKRHHWIYHNQPT-INIZCTEOSA-N 2 1 355.527 0.158 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1(C)C 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FCAEMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000916843891 667033340 /nfs/dbraw/zinc/03/33/40/667033340.db2.gz XTVXIGHFOPXKRH-LVQVYYBASA-N 2 1 354.520 0.729 10 0 FCAEMP C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000918368187 667115529 /nfs/dbraw/zinc/11/55/29/667115529.db2.gz DXRABCQWHGCKGO-CALCHBBNSA-N 2 1 358.552 0.227 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CSCN1C(C)=O ZINC000505840245 667792272 /nfs/dbraw/zinc/79/22/72/667792272.db2.gz QSDZJZZDHYJFSY-HOTGVXAUSA-N 2 1 356.536 0.782 10 0 FCAEMP FC(F)(F)COCCCN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923309640 667824694 /nfs/dbraw/zinc/82/46/94/667824694.db2.gz YCQKQYCIFNDDRD-AWEZNQCLSA-N 2 1 351.413 0.952 10 0 FCAEMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000923359615 667828578 /nfs/dbraw/zinc/82/85/78/667828578.db2.gz SZPHVANSPDBWDK-RBSFLKMASA-N 2 1 359.536 0.672 10 0 FCAEMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000923359615 667828583 /nfs/dbraw/zinc/82/85/83/667828583.db2.gz SZPHVANSPDBWDK-RBSFLKMASA-N 2 1 359.536 0.672 10 0 FCAEMP CCOc1ccc(OCCNC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923463873 667838151 /nfs/dbraw/zinc/83/81/51/667838151.db2.gz IECZABZFEXATFA-UHFFFAOYSA-N 2 1 350.463 0.075 10 0 FCAEMP CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462208 667838294 /nfs/dbraw/zinc/83/82/94/667838294.db2.gz DOAKINYRDVMFAD-UHFFFAOYSA-N 2 1 368.503 0.975 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923500671 667841711 /nfs/dbraw/zinc/84/17/11/667841711.db2.gz QLVWEFJNBWTGDX-KGLIPLIRSA-N 2 1 350.438 0.951 10 0 FCAEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1COC(=O)N1 ZINC000826924160 669524606 /nfs/dbraw/zinc/52/46/06/669524606.db2.gz PPCVQILMBDNBPS-INIZCTEOSA-N 2 1 352.479 0.750 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000810319653 669671361 /nfs/dbraw/zinc/67/13/61/669671361.db2.gz JUJBKNHDCURKQS-KBXCAEBGSA-N 2 1 356.486 0.903 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000810319653 669671366 /nfs/dbraw/zinc/67/13/66/669671366.db2.gz JUJBKNHDCURKQS-KBXCAEBGSA-N 2 1 356.486 0.903 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000810319653 669671369 /nfs/dbraw/zinc/67/13/69/669671369.db2.gz JUJBKNHDCURKQS-KBXCAEBGSA-N 2 1 356.486 0.903 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810563254 669689035 /nfs/dbraw/zinc/68/90/35/669689035.db2.gz BAMTYCUZQVPZRE-SFHVURJKSA-N 2 1 356.486 0.821 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810563254 669689038 /nfs/dbraw/zinc/68/90/38/669689038.db2.gz BAMTYCUZQVPZRE-SFHVURJKSA-N 2 1 356.486 0.821 10 0 FCAEMP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000841254979 670544304 /nfs/dbraw/zinc/54/43/04/670544304.db2.gz AGUIHSRLUDNVIY-VXGBXAGGSA-N 2 1 367.881 0.882 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312981 671182127 /nfs/dbraw/zinc/18/21/27/671182127.db2.gz XAFRTZSLRFAMMG-NQNKBUKLSA-N 2 1 354.495 0.647 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312981 671182128 /nfs/dbraw/zinc/18/21/28/671182128.db2.gz XAFRTZSLRFAMMG-NQNKBUKLSA-N 2 1 354.495 0.647 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312981 671182131 /nfs/dbraw/zinc/18/21/31/671182131.db2.gz XAFRTZSLRFAMMG-NQNKBUKLSA-N 2 1 354.495 0.647 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312981 671182134 /nfs/dbraw/zinc/18/21/34/671182134.db2.gz XAFRTZSLRFAMMG-NQNKBUKLSA-N 2 1 354.495 0.647 10 0 FCAEMP CCN(OC)C(=O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848237818 671262258 /nfs/dbraw/zinc/26/22/58/671262258.db2.gz CQMUBQXFFFKORR-UHFFFAOYSA-N 2 1 354.495 0.709 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000849532751 671352172 /nfs/dbraw/zinc/35/21/72/671352172.db2.gz OMNCDQRGGXRZHY-HOTGVXAUSA-N 2 1 351.520 0.620 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000849532751 671352173 /nfs/dbraw/zinc/35/21/73/671352173.db2.gz OMNCDQRGGXRZHY-HOTGVXAUSA-N 2 1 351.520 0.620 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584363 671691951 /nfs/dbraw/zinc/69/19/51/671691951.db2.gz IRVGNIKWCXFITG-SJLPKXTDSA-N 2 1 351.447 0.910 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584363 671691953 /nfs/dbraw/zinc/69/19/53/671691953.db2.gz IRVGNIKWCXFITG-SJLPKXTDSA-N 2 1 351.447 0.910 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584363 671691955 /nfs/dbraw/zinc/69/19/55/671691955.db2.gz IRVGNIKWCXFITG-SJLPKXTDSA-N 2 1 351.447 0.910 10 0 FCAEMP 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CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707735 672289954 /nfs/dbraw/zinc/28/99/54/672289954.db2.gz JLTNBGPVSOWAEK-JJXSEGSLSA-N 2 1 350.463 0.644 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000868370196 672396128 /nfs/dbraw/zinc/39/61/28/672396128.db2.gz MACSLCXRORSRLM-HNAYVOBHSA-N 2 1 350.507 0.905 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1(C)C ZINC000868403941 672398831 /nfs/dbraw/zinc/39/88/31/672398831.db2.gz BDJKGUQAVNMQKF-CVEARBPZSA-N 2 1 350.507 0.777 10 0 FCAEMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C(F)(F)F ZINC000872188683 672597938 /nfs/dbraw/zinc/59/79/38/672597938.db2.gz YWSGOCGPGIQTQD-STQMWFEESA-N 2 1 362.396 0.136 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872191773 672600306 /nfs/dbraw/zinc/60/03/06/672600306.db2.gz NVJPNBLAGQCYQP-ZYHUDNBSSA-N 2 1 350.385 0.135 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[C@H](C)[N@H+]1C ZINC000872194441 672602386 /nfs/dbraw/zinc/60/23/86/672602386.db2.gz IMUKUWRGESEEGM-WRWGMCAJSA-N 2 1 350.385 0.133 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[C@H](C)[N@@H+]1C ZINC000872194441 672602388 /nfs/dbraw/zinc/60/23/88/672602388.db2.gz IMUKUWRGESEEGM-WRWGMCAJSA-N 2 1 350.385 0.133 10 0 FCAEMP CC(C)c1nc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n[nH]1 ZINC000875630073 672900289 /nfs/dbraw/zinc/90/02/89/672900289.db2.gz BQBIGCFTXYSMAU-ZIAGYGMSSA-N 2 1 351.499 0.809 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925314356 673786766 /nfs/dbraw/zinc/78/67/66/673786766.db2.gz DUHULLWQIOZMKH-ZBFHGGJFSA-N 2 1 351.495 0.275 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925314356 673786767 /nfs/dbraw/zinc/78/67/67/673786767.db2.gz DUHULLWQIOZMKH-ZBFHGGJFSA-N 2 1 351.495 0.275 10 0 FCAEMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925342947 673788054 /nfs/dbraw/zinc/78/80/54/673788054.db2.gz KBFVLCDILCCYIJ-RDJZCZTQSA-N 2 1 356.511 0.848 10 0 FCAEMP CCO[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)C[NH+](C)C ZINC000926847567 673845294 /nfs/dbraw/zinc/84/52/94/673845294.db2.gz XNSOFAYLCAPPOH-INIZCTEOSA-N 2 1 357.543 0.668 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000927858458 673884515 /nfs/dbraw/zinc/88/45/15/673884515.db2.gz RGKOBZLBSOOMGO-JKSUJKDBSA-N 2 1 360.483 0.924 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000927858458 673884518 /nfs/dbraw/zinc/88/45/18/673884518.db2.gz RGKOBZLBSOOMGO-JKSUJKDBSA-N 2 1 360.483 0.924 10 0 FCAEMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000929401378 673954278 /nfs/dbraw/zinc/95/42/78/673954278.db2.gz IRCJKFUPYVGFNS-OWCLPIDISA-N 2 1 368.547 0.531 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 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BMPFMUSWCCIBNX-PMPSAXMXSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930205412 674005176 /nfs/dbraw/zinc/00/51/76/674005176.db2.gz BMPFMUSWCCIBNX-PMPSAXMXSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930205409 674005230 /nfs/dbraw/zinc/00/52/30/674005230.db2.gz BMPFMUSWCCIBNX-BZUAXINKSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930205409 674005234 /nfs/dbraw/zinc/00/52/34/674005234.db2.gz BMPFMUSWCCIBNX-BZUAXINKSA-N 2 1 368.547 0.673 10 0 FCAEMP CN1CC[NH+](CC2CCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000900644454 675703170 /nfs/dbraw/zinc/70/31/70/675703170.db2.gz IHUBBRLRDAIUJV-LJQANCHMSA-N 2 1 352.523 0.319 10 0 FCAEMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)CC1 ZINC000901146081 675763740 /nfs/dbraw/zinc/76/37/40/675763740.db2.gz PPQKLNREHKNEEZ-HKUYNNGSSA-N 2 1 352.523 0.459 10 0 FCAEMP 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CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000897883373 1192849430 /nfs/dbraw/zinc/84/94/30/1192849430.db2.gz CITYKAVALZGWGX-KBAYOESNSA-N 2 1 358.486 0.976 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000897883373 1192849431 /nfs/dbraw/zinc/84/94/31/1192849431.db2.gz CITYKAVALZGWGX-KBAYOESNSA-N 2 1 358.486 0.976 10 0 FCAEMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001719754928 1179886824 /nfs/dbraw/zinc/88/68/24/1179886824.db2.gz AXTWRUJEAYQNPY-BRWVUGGUSA-N 2 1 364.534 0.881 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001719755691 1179890667 /nfs/dbraw/zinc/89/06/67/1179890667.db2.gz XSQIGMFSEDYAIH-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP Cc1ccccc1CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267374799 1180083979 /nfs/dbraw/zinc/08/39/79/1180083979.db2.gz MNMXFCWSEMTZMC-SJLPKXTDSA-N 2 1 360.502 0.999 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001267374642 1180089010 /nfs/dbraw/zinc/08/90/10/1180089010.db2.gz IGHDLFBPDCIGGI-LSDHHAIUSA-N 2 1 365.526 0.749 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001481093907 1182293336 /nfs/dbraw/zinc/29/33/36/1182293336.db2.gz LJSOHISNKPYOOW-HRCADAONSA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001481093907 1182293341 /nfs/dbraw/zinc/29/33/41/1182293341.db2.gz LJSOHISNKPYOOW-HRCADAONSA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001481093907 1182293348 /nfs/dbraw/zinc/29/33/48/1182293348.db2.gz LJSOHISNKPYOOW-HRCADAONSA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001481093907 1182293350 /nfs/dbraw/zinc/29/33/50/1182293350.db2.gz LJSOHISNKPYOOW-HRCADAONSA-N 2 1 359.536 0.590 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2nnc3n2CCCC3)C2CC2)CC[N@H+]1C ZINC001269072136 1187812319 /nfs/dbraw/zinc/81/23/19/1187812319.db2.gz YUCLUIWJLKEFCQ-BMFZPTHFSA-N 2 1 360.506 0.939 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C2CC2)CC[N@@H+]1C ZINC001269072136 1187812322 /nfs/dbraw/zinc/81/23/22/1187812322.db2.gz YUCLUIWJLKEFCQ-BMFZPTHFSA-N 2 1 360.506 0.939 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C2CC2)CC[N@H+]1C ZINC001269072136 1187812325 /nfs/dbraw/zinc/81/23/25/1187812325.db2.gz YUCLUIWJLKEFCQ-BMFZPTHFSA-N 2 1 360.506 0.939 10 0 FCAEMP Cc1cc(NC(=O)[C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC001269416313 1187847600 /nfs/dbraw/zinc/84/76/00/1187847600.db2.gz RVDLYTZJUJEKAO-MGPQQGTHSA-N 2 1 363.462 0.889 10 0 FCAEMP CN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2)C1=O ZINC001269493844 1187852436 /nfs/dbraw/zinc/85/24/36/1187852436.db2.gz FOXLSUHHIRZBTE-FGTMMUONSA-N 2 1 370.497 0.801 10 0 FCAEMP C[NH+]1CCN(C(=O)N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000896234143 1190007736 /nfs/dbraw/zinc/00/77/36/1190007736.db2.gz CMFVMFQZQFNZOU-QGZVFWFLSA-N 2 1 365.522 0.763 10 0 FCAEMP C[NH+]1CCN(C(=O)N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000896234143 1190007741 /nfs/dbraw/zinc/00/77/41/1190007741.db2.gz CMFVMFQZQFNZOU-QGZVFWFLSA-N 2 1 365.522 0.763 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897336526 1190700508 /nfs/dbraw/zinc/70/05/08/1190700508.db2.gz YNRNUGSMTDPDOF-XUVXKRRUSA-N 2 1 373.497 0.706 10 0 FCAEMP CCCn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482530937 1190718145 /nfs/dbraw/zinc/71/81/45/1190718145.db2.gz IGMMKGOCGFHBJI-KFWWJZLASA-N 2 1 351.499 0.654 10 0 FCAEMP CCCn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482530937 1190718150 /nfs/dbraw/zinc/71/81/50/1190718150.db2.gz IGMMKGOCGFHBJI-KFWWJZLASA-N 2 1 351.499 0.654 10 0 FCAEMP 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FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000926318582 1211530327 /nfs/dbraw/zinc/53/03/27/1211530327.db2.gz AVNJEYGQRMSVKR-NQNKBUKLSA-N 2 1 366.506 0.140 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926655874 1211552956 /nfs/dbraw/zinc/55/29/56/1211552956.db2.gz DKZNRVXFYLGKQZ-OWSLCNJRSA-N 2 1 368.522 0.848 10 0 FCAEMP C[C@@H](c1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000927810504 1211582545 /nfs/dbraw/zinc/58/25/45/1211582545.db2.gz KIEVKAULAFZUHH-JKIFEVAISA-N 2 1 360.458 0.742 10 0 FCAEMP CC(C)n1nccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927834290 1211584130 /nfs/dbraw/zinc/58/41/30/1211584130.db2.gz IHQROKVZQJRUCO-IYBDPMFKSA-N 2 1 374.489 0.830 10 0 FCAEMP CC(C)n1nccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927834290 1211584135 /nfs/dbraw/zinc/58/41/35/1211584135.db2.gz IHQROKVZQJRUCO-IYBDPMFKSA-N 2 1 374.489 0.830 10 0 FCAEMP 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C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000930653102 1211716178 /nfs/dbraw/zinc/71/61/78/1211716178.db2.gz QPLYSSIKKWQIPV-PBHICJAKSA-N 2 1 364.490 0.123 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000930653102 1211716180 /nfs/dbraw/zinc/71/61/80/1211716180.db2.gz QPLYSSIKKWQIPV-PBHICJAKSA-N 2 1 364.490 0.123 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930818526 1211723386 /nfs/dbraw/zinc/72/33/86/1211723386.db2.gz IMSYJFYONHYYHP-IAGOWNOFSA-N 2 1 371.441 0.008 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000931017123 1211734988 /nfs/dbraw/zinc/73/49/88/1211734988.db2.gz DFHZYIKDZONURY-IRXDYDNUSA-N 2 1 361.490 0.791 10 0 FCAEMP Cn1[nH]c(=O)c2c1C[N@@H+](CCC(=O)N1CCN(c3ccccn3)CC1)CC2 ZINC000931197219 1211744942 /nfs/dbraw/zinc/74/49/42/1211744942.db2.gz MWXPDVGICDSATE-UHFFFAOYSA-N 2 1 370.457 0.618 10 0 FCAEMP 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ZINC001119726748 1221958086 /nfs/dbraw/zinc/95/80/86/1221958086.db2.gz YGNLMARZJXRZDX-JKSUJKDBSA-N 2 1 371.441 0.008 10 0 FCAEMP O=C(NCc1ccn2ccnc2c1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001119726748 1221958090 /nfs/dbraw/zinc/95/80/90/1221958090.db2.gz YGNLMARZJXRZDX-JKSUJKDBSA-N 2 1 371.441 0.008 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)CC2)CC1 ZINC001123951958 1222368413 /nfs/dbraw/zinc/36/84/13/1222368413.db2.gz BMTCQLABDAEXOS-FQEVSTJZSA-N 3 1 366.550 0.708 10 0 FCAEMP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849522879 1245398425 /nfs/dbraw/zinc/39/84/25/1245398425.db2.gz PTQFGLIVFBAWKS-KSZLIROESA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849522879 1245398431 /nfs/dbraw/zinc/39/84/31/1245398431.db2.gz PTQFGLIVFBAWKS-KSZLIROESA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849522879 1245398437 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JSIXXFDORJDSLH-IAGOWNOFSA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cn1 ZINC000849581946 1245403951 /nfs/dbraw/zinc/40/39/51/1245403951.db2.gz JSIXXFDORJDSLH-IAGOWNOFSA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](CO)C[NH+]2CCCCC2)cn1 ZINC000849590651 1245404923 /nfs/dbraw/zinc/40/49/23/1245404923.db2.gz CKTDDKFCIFWVJW-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1N ZINC000922158312 1245661966 /nfs/dbraw/zinc/66/19/66/1245661966.db2.gz HPYKODOVRRRXTC-GASCZTMLSA-N 2 1 373.501 0.917 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1N ZINC000922158312 1245661975 /nfs/dbraw/zinc/66/19/75/1245661975.db2.gz HPYKODOVRRRXTC-GASCZTMLSA-N 2 1 373.501 0.917 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2CC)c1N ZINC000922158312 1245661983 /nfs/dbraw/zinc/66/19/83/1245661983.db2.gz HPYKODOVRRRXTC-GASCZTMLSA-N 2 1 373.501 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1 366.550 0.850 10 0 FCAEMP CC(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001342134215 1269363393 /nfs/dbraw/zinc/36/33/93/1269363393.db2.gz FRRSYXCBULMRII-HOTGVXAUSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@H](NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC001565834207 1269497659 /nfs/dbraw/zinc/49/76/59/1269497659.db2.gz QUNMDXOAYWPCOW-FBBABVLZSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@H](NC(=O)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001565834207 1269497662 /nfs/dbraw/zinc/49/76/62/1269497662.db2.gz QUNMDXOAYWPCOW-FBBABVLZSA-N 2 1 374.529 0.764 10 0 FCAEMP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001565950108 1269529557 /nfs/dbraw/zinc/52/95/57/1269529557.db2.gz HDHBYTOGRRILGD-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001565957144 1269532190 /nfs/dbraw/zinc/53/21/90/1269532190.db2.gz ZTRWQZVMSMQHOB-NVXWUHKLSA-N 2 1 351.495 0.713 10 0 FCAEMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001565976000 1269537014 /nfs/dbraw/zinc/53/70/14/1269537014.db2.gz MRQUNJNDKDNMKD-PMPSAXMXSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001566101532 1269604129 /nfs/dbraw/zinc/60/41/29/1269604129.db2.gz LOAOYUFWSZXSJH-CABCVRRESA-N 2 1 365.526 0.891 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCN2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001566639686 1269652987 /nfs/dbraw/zinc/65/29/87/1269652987.db2.gz BTJGOYZLJJQZHD-CEXWTWQISA-N 2 1 366.550 0.877 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCOCC3CC3)CC2)CC[N@H+]1C ZINC001566649213 1269655004 /nfs/dbraw/zinc/65/50/04/1269655004.db2.gz LYCVMRJYPVFRGL-SJLPKXTDSA-N 2 1 352.523 0.487 10 0 FCAEMP CC(=O)NCCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566938606 1269668626 /nfs/dbraw/zinc/66/86/26/1269668626.db2.gz UZHIAPXDSRKPJT-BPQIPLTHSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCCc1cccs1 ZINC001567015677 1269674235 /nfs/dbraw/zinc/67/42/35/1269674235.db2.gz AONHPVMMXXUZHM-IIAWOOMASA-N 2 1 366.531 0.841 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001567016640 1269674567 /nfs/dbraw/zinc/67/45/67/1269674567.db2.gz JWGVLBPIRQCBNH-MGPQQGTHSA-N 2 1 367.494 0.141 10 0 FCAEMP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567124326 1269678204 /nfs/dbraw/zinc/67/82/04/1269678204.db2.gz FPSHQNFOMKNRFV-OWCLPIDISA-N 2 1 353.511 0.472 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@@H+]1C ZINC001568020145 1269717238 /nfs/dbraw/zinc/71/72/38/1269717238.db2.gz QMXWZWKJRLWJLV-DFHBCGBQSA-N 2 1 364.494 0.850 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]Cc2nc(N(C)C)no2)C2CC2)CC[N@H+]1C ZINC001568020145 1269717242 /nfs/dbraw/zinc/71/72/42/1269717242.db2.gz QMXWZWKJRLWJLV-DFHBCGBQSA-N 2 1 364.494 0.850 10 0 FCAEMP CC(C)C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568329425 1269727526 /nfs/dbraw/zinc/72/75/26/1269727526.db2.gz XUQIOBNKVIWDOR-OWCLPIDISA-N 2 1 366.506 0.596 10 0 FCAEMP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001568701344 1269746131 /nfs/dbraw/zinc/74/61/31/1269746131.db2.gz MTNNPKNYJRTRCJ-WSTZPKSXSA-N 2 1 361.486 0.564 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC001568853736 1269751409 /nfs/dbraw/zinc/75/14/09/1269751409.db2.gz NHLUFPYUGWOHOR-BBROLEBSSA-N 2 1 371.547 0.804 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001343089459 1269764666 /nfs/dbraw/zinc/76/46/66/1269764666.db2.gz WPVMDUHZGLRRIO-BZUAXINKSA-N 2 1 370.538 0.645 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001569982552 1269827882 /nfs/dbraw/zinc/82/78/82/1269827882.db2.gz XEYHVPBJOHVAKQ-IJEWVQPXSA-N 2 1 361.494 0.676 10 0 FCAEMP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)CCC1 ZINC001343495213 1269927212 /nfs/dbraw/zinc/92/72/12/1269927212.db2.gz WEFIBXKFNGMWTO-OAGGEKHMSA-N 2 1 366.506 0.033 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC2CC2)C2CC2)CC[N@H+]1C ZINC001571359957 1269929075 /nfs/dbraw/zinc/92/90/75/1269929075.db2.gz JGAXVDUSSWKSOP-BBWFWOEESA-N 2 1 350.507 0.822 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001571388457 1269930544 /nfs/dbraw/zinc/93/05/44/1269930544.db2.gz QPZLVLVRMNATLI-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cn(C)nc2C(F)F)CC[N@H+]1C ZINC001571429740 1269933531 /nfs/dbraw/zinc/93/35/31/1269933531.db2.gz JVIXUTGMAAGLGY-RAIGVLPGSA-N 2 1 359.421 0.265 10 0 FCAEMP Cc1ncsc1CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571580335 1269938945 /nfs/dbraw/zinc/93/89/45/1269938945.db2.gz NXSBLHUTHUDMDZ-RBSFLKMASA-N 2 1 354.520 0.743 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC001572715036 1270112404 /nfs/dbraw/zinc/11/24/04/1270112404.db2.gz HQHVYSFIMTUKGX-BZUAXINKSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC001572715036 1270112408 /nfs/dbraw/zinc/11/24/08/1270112408.db2.gz HQHVYSFIMTUKGX-BZUAXINKSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC001572715036 1270112417 /nfs/dbraw/zinc/11/24/17/1270112417.db2.gz HQHVYSFIMTUKGX-BZUAXINKSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC001572715036 1270112422 /nfs/dbraw/zinc/11/24/22/1270112422.db2.gz HQHVYSFIMTUKGX-BZUAXINKSA-N 2 1 366.506 0.060 10 0 FCAEMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001573060195 1270580865 /nfs/dbraw/zinc/58/08/65/1270580865.db2.gz MYXPAULCVYMUML-HZPDHXFCSA-N 2 1 361.490 0.981 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001573060195 1270580867 /nfs/dbraw/zinc/58/08/67/1270580867.db2.gz MYXPAULCVYMUML-HZPDHXFCSA-N 2 1 361.490 0.981 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001573726986 1270861371 /nfs/dbraw/zinc/86/13/71/1270861371.db2.gz GPMQIIBPGYSZNZ-JTDSTZFVSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001573765936 1270873247 /nfs/dbraw/zinc/87/32/47/1270873247.db2.gz CABUASQHTSFEDU-TXPKVOOTSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001573765936 1270873260 /nfs/dbraw/zinc/87/32/60/1270873260.db2.gz CABUASQHTSFEDU-TXPKVOOTSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[N@H+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001574207277 1271093591 /nfs/dbraw/zinc/09/35/91/1271093591.db2.gz JZAUIZLDLFGXAN-FXUDXRNXSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001574207277 1271093599 /nfs/dbraw/zinc/09/35/99/1271093599.db2.gz JZAUIZLDLFGXAN-FXUDXRNXSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001574207277 1271093607 /nfs/dbraw/zinc/09/36/07/1271093607.db2.gz JZAUIZLDLFGXAN-FXUDXRNXSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001574207277 1271093615 /nfs/dbraw/zinc/09/36/15/1271093615.db2.gz JZAUIZLDLFGXAN-FXUDXRNXSA-N 2 1 366.506 0.295 10 0 FCAEMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1N3C(=O)CC[NH+](C)C)CC2 ZINC001574349293 1271224520 /nfs/dbraw/zinc/22/45/20/1271224520.db2.gz UGVPZGUFMIWHJF-MVJTYMMSSA-N 2 1 373.501 0.954 10 0 FCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1N3C(=O)CC[NH+](C)C)C2 ZINC001574372171 1271238343 /nfs/dbraw/zinc/23/83/43/1271238343.db2.gz LSIRMKHYLPBGEU-MVJTYMMSSA-N 2 1 373.501 0.954 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001574483247 1271292314 /nfs/dbraw/zinc/29/23/14/1271292314.db2.gz WYUPRCPZMZRNSY-OAGGEKHMSA-N 2 1 354.495 0.153 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1C ZINC001577093541 1274152919 /nfs/dbraw/zinc/15/29/19/1274152919.db2.gz XRGYWECVHSYHQD-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1C ZINC001577093541 1274152923 /nfs/dbraw/zinc/15/29/23/1274152923.db2.gz XRGYWECVHSYHQD-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1C ZINC001577093541 1274152926 /nfs/dbraw/zinc/15/29/26/1274152926.db2.gz XRGYWECVHSYHQD-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1C ZINC001577093541 1274152928 /nfs/dbraw/zinc/15/29/28/1274152928.db2.gz XRGYWECVHSYHQD-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001713191564 1287269795 /nfs/dbraw/zinc/26/97/95/1287269795.db2.gz HNNXHNWXWBNMCN-XUWVNRHRSA-N 2 1 359.536 0.778 10 0 FCAEMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713201786 1287271539 /nfs/dbraw/zinc/27/15/39/1287271539.db2.gz HQDKNDYLYXRUOJ-XDNAFOTISA-N 2 1 358.486 0.657 10 0 FCAEMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CCCNC1=O ZINC001713467214 1287280378 /nfs/dbraw/zinc/28/03/78/1287280378.db2.gz DMNZDGHLGGUJPY-FGTMMUONSA-N 2 1 358.486 0.658 10 0 FCAEMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CCCNC1=O ZINC001713467214 1287280383 /nfs/dbraw/zinc/28/03/83/1287280383.db2.gz DMNZDGHLGGUJPY-FGTMMUONSA-N 2 1 358.486 0.658 10 0 FCAEMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCCNC1=O ZINC001713467214 1287280389 /nfs/dbraw/zinc/28/03/89/1287280389.db2.gz DMNZDGHLGGUJPY-FGTMMUONSA-N 2 1 358.486 0.658 10 0 FCAEMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCCNC1=O ZINC001713467214 1287280394 /nfs/dbraw/zinc/28/03/94/1287280394.db2.gz DMNZDGHLGGUJPY-FGTMMUONSA-N 2 1 358.486 0.658 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001713752413 1287296024 /nfs/dbraw/zinc/29/60/24/1287296024.db2.gz ONKROMDHQDAIOX-HLLBOEOZSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001713752413 1287296029 /nfs/dbraw/zinc/29/60/29/1287296029.db2.gz ONKROMDHQDAIOX-HLLBOEOZSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001713752413 1287296032 /nfs/dbraw/zinc/29/60/32/1287296032.db2.gz ONKROMDHQDAIOX-HLLBOEOZSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001713752412 1287296420 /nfs/dbraw/zinc/29/64/20/1287296420.db2.gz ONKROMDHQDAIOX-BFYDXBDKSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001713752412 1287296421 /nfs/dbraw/zinc/29/64/21/1287296421.db2.gz ONKROMDHQDAIOX-BFYDXBDKSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001713752412 1287296423 /nfs/dbraw/zinc/29/64/23/1287296423.db2.gz ONKROMDHQDAIOX-BFYDXBDKSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001714000308 1287310046 /nfs/dbraw/zinc/31/00/46/1287310046.db2.gz APYZILMHELUGIF-DJIMGWMZSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001714000308 1287310050 /nfs/dbraw/zinc/31/00/50/1287310050.db2.gz APYZILMHELUGIF-DJIMGWMZSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001714000308 1287310053 /nfs/dbraw/zinc/31/00/53/1287310053.db2.gz APYZILMHELUGIF-DJIMGWMZSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001714000308 1287310056 /nfs/dbraw/zinc/31/00/56/1287310056.db2.gz APYZILMHELUGIF-DJIMGWMZSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714624987 1287327472 /nfs/dbraw/zinc/32/74/72/1287327472.db2.gz PDAGPLMXUOXWCV-MGPQQGTHSA-N 2 1 367.494 0.094 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001714623573 1287328050 /nfs/dbraw/zinc/32/80/50/1287328050.db2.gz KQJODUFBQHKIGB-BFHYXJOUSA-N 2 1 351.451 0.698 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC001715584746 1287355117 /nfs/dbraw/zinc/35/51/17/1287355117.db2.gz JSYXVWSSTFWRCX-ZTFGCOKTSA-N 2 1 361.486 0.571 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)Nc2nccs2)CC[N@H+]1C ZINC001715815207 1287362120 /nfs/dbraw/zinc/36/21/20/1287362120.db2.gz DHJQPFMWSMGJHM-FGTRRKKMSA-N 2 1 351.476 0.684 10 0 FCAEMP CCc1onc(C)c1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001716087868 1287369284 /nfs/dbraw/zinc/36/92/84/1287369284.db2.gz OTZNLTDDEIVJKX-IJEWVQPXSA-N 2 1 352.479 0.842 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001716087592 1287370266 /nfs/dbraw/zinc/37/02/66/1287370266.db2.gz JEERJARIAGOPMA-IXDOHACOSA-N 2 1 362.474 0.083 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001716345254 1287378671 /nfs/dbraw/zinc/37/86/71/1287378671.db2.gz MXGUHZYUSPRQAU-OYGDTKMKSA-N 2 1 356.470 0.482 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001716919045 1287394450 /nfs/dbraw/zinc/39/44/50/1287394450.db2.gz QQJQHTPOLDZDEL-SCTDSRPQSA-N 2 1 363.506 0.246 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001716919045 1287394455 /nfs/dbraw/zinc/39/44/55/1287394455.db2.gz QQJQHTPOLDZDEL-SCTDSRPQSA-N 2 1 363.506 0.246 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001716919045 1287394462 /nfs/dbraw/zinc/39/44/62/1287394462.db2.gz QQJQHTPOLDZDEL-SCTDSRPQSA-N 2 1 363.506 0.246 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nccnc3C)C2)CC[N@@H+]1C ZINC001716918879 1287394875 /nfs/dbraw/zinc/39/48/75/1287394875.db2.gz NWPVIZULPVFUNP-KVSKMBFKSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3nccnc3C)C2)CC[N@H+]1C ZINC001716918879 1287394880 /nfs/dbraw/zinc/39/48/80/1287394880.db2.gz NWPVIZULPVFUNP-KVSKMBFKSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3nccnc3C)C2)CC[NH+]1C ZINC001716918879 1287394883 /nfs/dbraw/zinc/39/48/83/1287394883.db2.gz NWPVIZULPVFUNP-KVSKMBFKSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3nccnc3C)C2)CC[NH+]1C ZINC001716918879 1287394888 /nfs/dbraw/zinc/39/48/88/1287394888.db2.gz NWPVIZULPVFUNP-KVSKMBFKSA-N 2 1 361.490 0.568 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CCCCC2)CC[N@H+]1C ZINC001717050946 1287404519 /nfs/dbraw/zinc/40/45/19/1287404519.db2.gz OEJHWYSNAUJJRM-NVXWUHKLSA-N 2 1 368.522 0.186 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C(C)C)C2)CC[N@H+]1C ZINC001717171651 1287409833 /nfs/dbraw/zinc/40/98/33/1287409833.db2.gz VYKDGJORMMNXDS-YESZJQIVSA-N 2 1 368.522 0.401 10 0 FCAEMP Cc1nnc([C@H](C)[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)[nH]1 ZINC001717263327 1287416305 /nfs/dbraw/zinc/41/63/05/1287416305.db2.gz YRALRORXEWKPJM-GZBFAFLISA-N 2 1 364.494 0.769 10 0 FCAEMP CCCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001717318887 1287418086 /nfs/dbraw/zinc/41/80/86/1287418086.db2.gz MYUSTPJLJNCJHY-JKSUJKDBSA-N 2 1 368.522 0.186 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NCC3CC3)C(C)(C)C2)CC[N@H+]1C ZINC001717894108 1287442158 /nfs/dbraw/zinc/44/21/58/1287442158.db2.gz LGROPHFMHDRYAA-FVQBIDKESA-N 2 1 350.507 0.679 10 0 FCAEMP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001717917063 1287442359 /nfs/dbraw/zinc/44/23/59/1287442359.db2.gz ILDAHDDNMKEDML-YRGRVCCFSA-N 2 1 356.492 0.401 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(OC)nc2)CC[N@H+]1C ZINC001717916763 1287442803 /nfs/dbraw/zinc/44/28/03/1287442803.db2.gz BLZKZCJHUSTCPJ-YESZJQIVSA-N 2 1 364.490 0.729 10 0 FCAEMP CCCc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001717917547 1287444300 /nfs/dbraw/zinc/44/43/00/1287444300.db2.gz SHSDOFFPQBEABU-MGPQQGTHSA-N 2 1 369.535 0.740 10 0 FCAEMP CCCc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001717917547 1287444305 /nfs/dbraw/zinc/44/43/05/1287444305.db2.gz SHSDOFFPQBEABU-MGPQQGTHSA-N 2 1 369.535 0.740 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001717991584 1287452644 /nfs/dbraw/zinc/45/26/44/1287452644.db2.gz JYMASFVEWBIWPI-LHUBUQBQSA-N 2 1 350.507 0.822 10 0 FCAEMP 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CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001656847647 1291567440 /nfs/dbraw/zinc/56/74/40/1291567440.db2.gz MVVNNTFNWKCYRO-ZACQAIPSSA-N 2 1 350.507 0.491 10 0 FCAEMP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001656847647 1291567444 /nfs/dbraw/zinc/56/74/44/1291567444.db2.gz MVVNNTFNWKCYRO-ZACQAIPSSA-N 2 1 350.507 0.491 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOCCO)CC[C@@H]2C1 ZINC001656847572 1291568200 /nfs/dbraw/zinc/56/82/00/1291568200.db2.gz MCSJRDVCBVUMEA-SQNIBIBYSA-N 2 1 353.507 0.650 10 0 FCAEMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001656847572 1291568206 /nfs/dbraw/zinc/56/82/06/1291568206.db2.gz MCSJRDVCBVUMEA-SQNIBIBYSA-N 2 1 353.507 0.650 10 0 FCAEMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001656847572 1291568211 /nfs/dbraw/zinc/56/82/11/1291568211.db2.gz MCSJRDVCBVUMEA-SQNIBIBYSA-N 2 1 353.507 0.650 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCNC(=O)C2CC2)CC[N@H+]1C ZINC001661530837 1291697489 /nfs/dbraw/zinc/69/74/89/1291697489.db2.gz YRGUITISPQKCMI-POGJWJPPSA-N 2 1 362.518 0.964 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCNC(=O)C2CC2)CC[NH+]1C ZINC001661530837 1291697497 /nfs/dbraw/zinc/69/74/97/1291697497.db2.gz YRGUITISPQKCMI-POGJWJPPSA-N 2 1 362.518 0.964 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)CC[N@H+]1C ZINC001661601872 1291702147 /nfs/dbraw/zinc/70/21/47/1291702147.db2.gz RACUSHKALUNACJ-MXASKKJJSA-N 2 1 359.474 0.275 10 0 FCAEMP C[C@@H](CC[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668065874 1291954582 /nfs/dbraw/zinc/95/45/82/1291954582.db2.gz TZLYOJBBNCERKO-RRFJBIMHSA-N 2 1 365.526 0.795 10 0 FCAEMP C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC[N@H+](C)CC1 ZINC001671556296 1292042195 /nfs/dbraw/zinc/04/21/95/1292042195.db2.gz RIDOZYCTIGSGFS-INIZCTEOSA-N 2 1 366.506 0.817 10 0 FCAEMP C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC001671556296 1292042203 /nfs/dbraw/zinc/04/22/03/1292042203.db2.gz RIDOZYCTIGSGFS-INIZCTEOSA-N 2 1 366.506 0.817 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc3c2OCCO3)CC[N@H+]1C ZINC001676535882 1292206801 /nfs/dbraw/zinc/20/68/01/1292206801.db2.gz REKSRPOIRROUMP-VNQPRFMTSA-N 2 1 363.458 0.365 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001685121739 1292433725 /nfs/dbraw/zinc/43/37/25/1292433725.db2.gz TWTCYWHRQKDLIO-IXDOHACOSA-N 2 1 368.522 0.212 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001685121739 1292433733 /nfs/dbraw/zinc/43/37/33/1292433733.db2.gz TWTCYWHRQKDLIO-IXDOHACOSA-N 2 1 368.522 0.212 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001685121739 1292433737 /nfs/dbraw/zinc/43/37/37/1292433737.db2.gz TWTCYWHRQKDLIO-IXDOHACOSA-N 2 1 368.522 0.212 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001685725409 1292611109 /nfs/dbraw/zinc/61/11/09/1292611109.db2.gz RDYIMYJCQCKPMU-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001685725409 1292611123 /nfs/dbraw/zinc/61/11/23/1292611123.db2.gz RDYIMYJCQCKPMU-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001685725409 1292611133 /nfs/dbraw/zinc/61/11/33/1292611133.db2.gz RDYIMYJCQCKPMU-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001686100013 1292766972 /nfs/dbraw/zinc/76/69/72/1292766972.db2.gz VYNRGNULMAGTDX-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001686100013 1292766981 /nfs/dbraw/zinc/76/69/81/1292766981.db2.gz VYNRGNULMAGTDX-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001686100013 1292766987 /nfs/dbraw/zinc/76/69/87/1292766987.db2.gz VYNRGNULMAGTDX-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001686849625 1292963550 /nfs/dbraw/zinc/96/35/50/1292963550.db2.gz HONWXPVYWCKBCK-MSOLQXFVSA-N 2 1 360.502 0.906 10 0 FCAEMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001686849625 1292963559 /nfs/dbraw/zinc/96/35/59/1292963559.db2.gz HONWXPVYWCKBCK-MSOLQXFVSA-N 2 1 360.502 0.906 10 0 FCAEMP CC[NH+](C)CCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001686849625 1292963565 /nfs/dbraw/zinc/96/35/65/1292963565.db2.gz HONWXPVYWCKBCK-MSOLQXFVSA-N 2 1 360.502 0.906 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000369547231 836045143 /nfs/dbraw/zinc/04/51/43/836045143.db2.gz RSPDPYUFPFZDAP-RLFYNMQTSA-N 2 1 353.463 0.051 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000369547231 836045154 /nfs/dbraw/zinc/04/51/54/836045154.db2.gz RSPDPYUFPFZDAP-RLFYNMQTSA-N 2 1 353.463 0.051 10 0 FCAEMP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123693453 848625462 /nfs/dbraw/zinc/62/54/62/848625462.db2.gz AICRLZUJUGTYJC-JCECYMMASA-N 2 1 351.539 0.992 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001278498749 862354023 /nfs/dbraw/zinc/35/40/23/862354023.db2.gz QGZYQTJCEVWEQQ-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001263699133 859189986 /nfs/dbraw/zinc/18/99/86/859189986.db2.gz FRVAOCJPNIQCGZ-XYJFISCASA-N 2 1 354.495 0.243 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001263711985 859193553 /nfs/dbraw/zinc/19/35/53/859193553.db2.gz RSWNUZUUKNWPFZ-UHFFFAOYSA-N 2 1 364.471 0.597 10 0 FCAEMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001263982521 859266277 /nfs/dbraw/zinc/26/62/77/859266277.db2.gz JFVDMIYIESUDEE-PMPSAXMXSA-N 2 1 359.536 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCNS(=O)(=O)CC ZINC001264053323 859289412 /nfs/dbraw/zinc/28/94/12/859289412.db2.gz RMCBWVIPNKSSPF-LVQVYYBASA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCNS(=O)(=O)CC ZINC001264053323 859289421 /nfs/dbraw/zinc/28/94/21/859289421.db2.gz RMCBWVIPNKSSPF-LVQVYYBASA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCNS(=O)(=O)CC ZINC001264053323 859289429 /nfs/dbraw/zinc/28/94/29/859289429.db2.gz RMCBWVIPNKSSPF-LVQVYYBASA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCNS(=O)(=O)CC ZINC001264053323 859289438 /nfs/dbraw/zinc/28/94/38/859289438.db2.gz RMCBWVIPNKSSPF-LVQVYYBASA-N 2 1 374.551 0.235 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC(=O)N(C)CC ZINC001264053129 859289470 /nfs/dbraw/zinc/28/94/70/859289470.db2.gz KFHZYTDDDWMBHP-IXDOHACOSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1C[C@H](O)COC ZINC001264064133 859295241 /nfs/dbraw/zinc/29/52/41/859295241.db2.gz XWXVXLJVXFFZOL-HRCADAONSA-N 2 1 352.479 0.983 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1C[C@H](O)COC ZINC001264064133 859295253 /nfs/dbraw/zinc/29/52/53/859295253.db2.gz XWXVXLJVXFFZOL-HRCADAONSA-N 2 1 352.479 0.983 10 0 FCAEMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001264147502 859327445 /nfs/dbraw/zinc/32/74/45/859327445.db2.gz QIEZLSPGQTUCBG-VYDXJSESSA-N 2 1 354.495 0.010 10 0 FCAEMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001264147502 859327455 /nfs/dbraw/zinc/32/74/55/859327455.db2.gz QIEZLSPGQTUCBG-VYDXJSESSA-N 2 1 354.495 0.010 10 0 FCAEMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001264701037 859425995 /nfs/dbraw/zinc/42/59/95/859425995.db2.gz DQAMBJVBYJJQMG-FPCVCCKLSA-N 2 1 374.551 0.235 10 0 FCAEMP CCS(=O)(=O)NCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001264701037 859426000 /nfs/dbraw/zinc/42/60/00/859426000.db2.gz DQAMBJVBYJJQMG-FPCVCCKLSA-N 2 1 374.551 0.235 10 0 FCAEMP CCS(=O)(=O)NCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001264701037 859426004 /nfs/dbraw/zinc/42/60/04/859426004.db2.gz DQAMBJVBYJJQMG-FPCVCCKLSA-N 2 1 374.551 0.235 10 0 FCAEMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001264704053 859429287 /nfs/dbraw/zinc/42/92/87/859429287.db2.gz ODKRMAQCFKPPOG-KFWWJZLASA-N 2 1 357.474 0.271 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001264716407 859435703 /nfs/dbraw/zinc/43/57/03/859435703.db2.gz ILHOMLBHQJDLOV-PMPSAXMXSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nnnn2CC(F)(F)F)CC[N@@H+]1C ZINC001266704235 859488069 /nfs/dbraw/zinc/48/80/69/859488069.db2.gz XENZUAWLIJSEDF-GHMZBOCLSA-N 2 1 363.388 0.124 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2nnnn2CC(F)(F)F)CC[N@H+]1C ZINC001266704235 859488074 /nfs/dbraw/zinc/48/80/74/859488074.db2.gz XENZUAWLIJSEDF-GHMZBOCLSA-N 2 1 363.388 0.124 10 0 FCAEMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266901039 859491716 /nfs/dbraw/zinc/49/17/16/859491716.db2.gz JOMCBBNTHLSNER-UKRFAEJPSA-N 2 1 350.507 0.676 10 0 FCAEMP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266901039 859491724 /nfs/dbraw/zinc/49/17/24/859491724.db2.gz JOMCBBNTHLSNER-UKRFAEJPSA-N 2 1 350.507 0.676 10 0 FCAEMP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266901039 859491731 /nfs/dbraw/zinc/49/17/31/859491731.db2.gz JOMCBBNTHLSNER-UKRFAEJPSA-N 2 1 350.507 0.676 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001267241935 859502735 /nfs/dbraw/zinc/50/27/35/859502735.db2.gz QHMAUJYKBUTBSD-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001267241935 859502741 /nfs/dbraw/zinc/50/27/41/859502741.db2.gz QHMAUJYKBUTBSD-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001267241935 859502746 /nfs/dbraw/zinc/50/27/46/859502746.db2.gz QHMAUJYKBUTBSD-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001267241935 859502755 /nfs/dbraw/zinc/50/27/55/859502755.db2.gz QHMAUJYKBUTBSD-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001268793161 859541615 /nfs/dbraw/zinc/54/16/15/859541615.db2.gz KPLLUYNWIZGBOJ-JHJVBQTASA-N 2 1 366.428 0.832 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001274035329 860663974 /nfs/dbraw/zinc/66/39/74/860663974.db2.gz KUYQFKSDYUYOJU-KOABKASLSA-N 2 1 365.503 0.708 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001274520685 860768577 /nfs/dbraw/zinc/76/85/77/860768577.db2.gz NVRDUZGDOWAOPD-IXDOHACOSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@H](C[NH2+]CC(=O)N(C)CC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274761079 860815862 /nfs/dbraw/zinc/81/58/62/860815862.db2.gz ZLSISEQXFRGHRO-IJLUTSLNSA-N 2 1 352.401 0.442 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001280387538 863421600 /nfs/dbraw/zinc/42/16/00/863421600.db2.gz DGMSTKPWYMDGAY-HZPDHXFCSA-N 2 1 350.507 0.777 10 0 FCAEMP C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001281629882 863552056 /nfs/dbraw/zinc/55/20/56/863552056.db2.gz QPBDGZBXZZNBCT-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001281850332 863822773 /nfs/dbraw/zinc/82/27/73/863822773.db2.gz JGWKLSHBBCVTLE-ARFHVFGLSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001281850332 863822778 /nfs/dbraw/zinc/82/27/78/863822778.db2.gz JGWKLSHBBCVTLE-ARFHVFGLSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001281850332 863822783 /nfs/dbraw/zinc/82/27/83/863822783.db2.gz JGWKLSHBBCVTLE-ARFHVFGLSA-N 2 1 354.495 0.012 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001281854949 863827712 /nfs/dbraw/zinc/82/77/12/863827712.db2.gz NCRVHANAWGAIQE-BZUAXINKSA-N 2 1 354.495 0.153 10 0 FCAEMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001281980906 864017977 /nfs/dbraw/zinc/01/79/77/864017977.db2.gz JOSPCGTZRNFMPN-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)CC[N@H+]1C ZINC001282483303 864294251 /nfs/dbraw/zinc/29/42/51/864294251.db2.gz VDJQOOLYHIXEJP-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP C[C@@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001283043612 864483476 /nfs/dbraw/zinc/48/34/76/864483476.db2.gz WAAQKOYEMDYPKT-XPLWTBFPSA-N 2 1 350.507 0.726 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@@H]2CC[NH+](C)C2)C2CC2)CC[N@H+]1C ZINC001283790650 864520754 /nfs/dbraw/zinc/52/07/54/864520754.db2.gz ONQJHLIJOXDEMN-BFYDXBDKSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)CC[NH+]1C ZINC001283790650 864520756 /nfs/dbraw/zinc/52/07/56/864520756.db2.gz ONQJHLIJOXDEMN-BFYDXBDKSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)CC[NH+]1C ZINC001283790650 864520759 /nfs/dbraw/zinc/52/07/59/864520759.db2.gz ONQJHLIJOXDEMN-BFYDXBDKSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001285563512 864636621 /nfs/dbraw/zinc/63/66/21/864636621.db2.gz LKLTUXYYTBKXEF-LPHCKNNVSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001285563512 864636628 /nfs/dbraw/zinc/63/66/28/864636628.db2.gz LKLTUXYYTBKXEF-LPHCKNNVSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001285563512 864636635 /nfs/dbraw/zinc/63/66/35/864636635.db2.gz LKLTUXYYTBKXEF-LPHCKNNVSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC001285563510 864636963 /nfs/dbraw/zinc/63/69/63/864636963.db2.gz LKLTUXYYTBKXEF-DWAPUWECSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC001285563510 864636971 /nfs/dbraw/zinc/63/69/71/864636971.db2.gz LKLTUXYYTBKXEF-DWAPUWECSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC001285563510 864636978 /nfs/dbraw/zinc/63/69/78/864636978.db2.gz LKLTUXYYTBKXEF-DWAPUWECSA-N 2 1 350.507 0.990 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001289828273 865292329 /nfs/dbraw/zinc/29/23/29/865292329.db2.gz DKQIFYHSRNAXOC-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001289828273 865292339 /nfs/dbraw/zinc/29/23/39/865292339.db2.gz DKQIFYHSRNAXOC-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001289828273 865292348 /nfs/dbraw/zinc/29/23/48/865292348.db2.gz DKQIFYHSRNAXOC-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP C[N@@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001290188787 865353860 /nfs/dbraw/zinc/35/38/60/865353860.db2.gz KTIIVACEMMVTOA-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CCC1 ZINC001290188787 865353877 /nfs/dbraw/zinc/35/38/77/865353877.db2.gz KTIIVACEMMVTOA-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1)C1CCC1 ZINC001290188787 865353893 /nfs/dbraw/zinc/35/38/93/865353893.db2.gz KTIIVACEMMVTOA-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[NH+](C)CC(C)(C)C)C2)CC[N@H+]1C ZINC001299363307 866170689 /nfs/dbraw/zinc/17/06/89/866170689.db2.gz QZXRYHFKJIHTJS-GDBMZVCRSA-N 2 1 352.523 0.974 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC[NH+]1C ZINC001299363307 866170693 /nfs/dbraw/zinc/17/06/93/866170693.db2.gz QZXRYHFKJIHTJS-GDBMZVCRSA-N 2 1 352.523 0.974 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC[NH+]1C ZINC001299363307 866170695 /nfs/dbraw/zinc/17/06/95/866170695.db2.gz QZXRYHFKJIHTJS-GDBMZVCRSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001350635481 866646360 /nfs/dbraw/zinc/64/63/60/866646360.db2.gz PQTCDOPCINWSPQ-CALCHBBNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001350635481 866646372 /nfs/dbraw/zinc/64/63/72/866646372.db2.gz PQTCDOPCINWSPQ-CALCHBBNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+](CC)CC ZINC001316756207 867455241 /nfs/dbraw/zinc/45/52/41/867455241.db2.gz CDEXPVZGYRTTHB-IKGGRYGDSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001317058303 867518336 /nfs/dbraw/zinc/51/83/36/867518336.db2.gz XQSFOWMGMLOWEL-YESZJQIVSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H](C[NH2+]CC(=O)NCc1ccco1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319460488 867923630 /nfs/dbraw/zinc/92/36/30/867923630.db2.gz NHPCYFCUHWHHQN-SQWLQELKSA-N 2 1 350.463 0.673 10 0 FCAEMP C[C@H](C[NH2+]Cc1ncnn1CC(F)F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319463210 867925381 /nfs/dbraw/zinc/92/53/81/867925381.db2.gz YZAQCCKXZSASDM-JHJVBQTASA-N 2 1 358.437 0.820 10 0 FCAEMP C[C@H](C[NH2+]Cc1ncnn1CC(F)F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319463210 867925397 /nfs/dbraw/zinc/92/53/97/867925397.db2.gz YZAQCCKXZSASDM-JHJVBQTASA-N 2 1 358.437 0.820 10 0 FCAEMP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001356854974 868054488 /nfs/dbraw/zinc/05/44/88/868054488.db2.gz DDQRBCQOYYWFAV-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP CCN(CC[NH2+]CC(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320737769 868257656 /nfs/dbraw/zinc/25/76/56/868257656.db2.gz NRIXCVFMZKSPMT-VXGBXAGGSA-N 2 1 352.401 0.443 10 0 FCAEMP COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001322654287 868898106 /nfs/dbraw/zinc/89/81/06/868898106.db2.gz PCCLRRRSOBWZJV-BZUAXINKSA-N 2 1 355.479 0.391 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1F ZINC001322724311 868920559 /nfs/dbraw/zinc/92/05/59/868920559.db2.gz KINFCMNLSDDCOT-IIAWOOMASA-N 2 1 354.470 0.478 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1F ZINC001322724311 868920566 /nfs/dbraw/zinc/92/05/66/868920566.db2.gz KINFCMNLSDDCOT-IIAWOOMASA-N 2 1 354.470 0.478 10 0 FCAEMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001344311786 870820574 /nfs/dbraw/zinc/82/05/74/870820574.db2.gz LBSOBHTVUNDLDY-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001327505559 870914219 /nfs/dbraw/zinc/91/42/19/870914219.db2.gz SUHBRMRVVHRXIB-WQVCFCJDSA-N 2 1 350.438 0.801 10 0 FCAEMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001327505559 870914230 /nfs/dbraw/zinc/91/42/30/870914230.db2.gz SUHBRMRVVHRXIB-WQVCFCJDSA-N 2 1 350.438 0.801 10 0 FCAEMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001327504756 870914636 /nfs/dbraw/zinc/91/46/36/870914636.db2.gz RIDNNONHKWNFEM-OAGGEKHMSA-N 2 1 350.438 0.787 10 0 FCAEMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001327504756 870914646 /nfs/dbraw/zinc/91/46/46/870914646.db2.gz RIDNNONHKWNFEM-OAGGEKHMSA-N 2 1 350.438 0.787 10 0 FCAEMP Cc1ncoc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001328167280 871260702 /nfs/dbraw/zinc/26/07/02/871260702.db2.gz QYNFKCYMXXJMEH-HUUCEWRRSA-N 2 1 350.463 0.766 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001328858904 871672012 /nfs/dbraw/zinc/67/20/12/871672012.db2.gz FSWOJSSSVMOVDP-PRLABOORSA-N 2 1 352.523 0.973 10 0 FCAEMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001329822288 872284291 /nfs/dbraw/zinc/28/42/91/872284291.db2.gz NQIGRPSURNOTIB-GJZGRUSLSA-N 2 1 350.438 0.883 10 0 FCAEMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001329822288 872284305 /nfs/dbraw/zinc/28/43/05/872284305.db2.gz NQIGRPSURNOTIB-GJZGRUSLSA-N 2 1 350.438 0.883 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cn1 ZINC001329953402 872385584 /nfs/dbraw/zinc/38/55/84/872385584.db2.gz YRKBLKYUWDDMLB-SNVBAGLBSA-N 2 1 356.308 0.520 10 0 FCAEMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC001348822535 872803378 /nfs/dbraw/zinc/80/33/78/872803378.db2.gz WYLGEWNIYNEQMB-UPJWGTAASA-N 2 1 362.396 0.279 10 0 FCAEMP C[NH+](CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CC2)C1)C1CC1 ZINC000411627698 529916098 /nfs/dbraw/zinc/91/60/98/529916098.db2.gz ZABYDULWWGITRE-GASCZTMLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CC2)C1)C1CC1 ZINC000411627698 529916099 /nfs/dbraw/zinc/91/60/99/529916099.db2.gz ZABYDULWWGITRE-GASCZTMLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)C2CC2)C1)C1CC1 ZINC000411627698 529916100 /nfs/dbraw/zinc/91/61/00/529916100.db2.gz ZABYDULWWGITRE-GASCZTMLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@H](CNC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000930580547 674041317 /nfs/dbraw/zinc/04/13/17/674041317.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 1 353.555 0.540 10 0 FCAEMP C[C@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000930580547 674041321 /nfs/dbraw/zinc/04/13/21/674041321.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 1 353.555 0.540 10 0 FCAEMP C[C@H](CNC(=O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000930580547 674041323 /nfs/dbraw/zinc/04/13/23/674041323.db2.gz VBGSTCCJCIUIDY-SFFUCWETSA-N 2 1 353.555 0.540 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1=CC[NH+](C)CC1 ZINC000930652394 674046539 /nfs/dbraw/zinc/04/65/39/674046539.db2.gz JVJLIRLPCZAIEJ-CWRNSKLLSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1=CC[NH+](C)CC1 ZINC000930652394 674046544 /nfs/dbraw/zinc/04/65/44/674046544.db2.gz JVJLIRLPCZAIEJ-CWRNSKLLSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1=CC[N@H+](C)CC1 ZINC000930652394 674046550 /nfs/dbraw/zinc/04/65/50/674046550.db2.gz JVJLIRLPCZAIEJ-CWRNSKLLSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1=CC[N@@H+](C)CC1 ZINC000930652394 674046555 /nfs/dbraw/zinc/04/65/55/674046555.db2.gz JVJLIRLPCZAIEJ-CWRNSKLLSA-N 2 1 366.531 0.449 10 0 FCAEMP C[N@H+](CCCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000930807701 674062776 /nfs/dbraw/zinc/06/27/76/674062776.db2.gz XZWSQJHGMHRPDN-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000930807701 674062779 /nfs/dbraw/zinc/06/27/79/674062779.db2.gz XZWSQJHGMHRPDN-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1CC1 ZINC000930807701 674062782 /nfs/dbraw/zinc/06/27/82/674062782.db2.gz XZWSQJHGMHRPDN-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1CC1 ZINC000930807701 674062784 /nfs/dbraw/zinc/06/27/84/674062784.db2.gz XZWSQJHGMHRPDN-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000334101861 215344333 /nfs/dbraw/zinc/34/43/33/215344333.db2.gz JNUSMMXHZQVCLJ-DOTOQJQBSA-N 2 1 367.538 0.911 10 0 FCAEMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000334101861 215344337 /nfs/dbraw/zinc/34/43/37/215344337.db2.gz JNUSMMXHZQVCLJ-DOTOQJQBSA-N 2 1 367.538 0.911 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000334101861 215344338 /nfs/dbraw/zinc/34/43/38/215344338.db2.gz JNUSMMXHZQVCLJ-DOTOQJQBSA-N 2 1 367.538 0.911 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000367403070 216117369 /nfs/dbraw/zinc/11/73/69/216117369.db2.gz VOMOIFNZHXTQMG-HLIPFELVSA-N 2 1 362.518 0.921 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850662 216171685 /nfs/dbraw/zinc/17/16/85/216171685.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 2 1 352.523 0.487 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000367850662 216171690 /nfs/dbraw/zinc/17/16/90/216171690.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 2 1 352.523 0.487 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000367850662 216171694 /nfs/dbraw/zinc/17/16/94/216171694.db2.gz RNPUDXIEYDACKL-HKUYNNGSSA-N 2 1 352.523 0.487 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC)C2)CC1=O ZINC000246442073 209386129 /nfs/dbraw/zinc/38/61/29/209386129.db2.gz NXKLPPWFRGAQJU-ULQDDVLXSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1=O ZINC000246442073 209386135 /nfs/dbraw/zinc/38/61/35/209386135.db2.gz NXKLPPWFRGAQJU-ULQDDVLXSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1=O ZINC000246442073 209386139 /nfs/dbraw/zinc/38/61/39/209386139.db2.gz NXKLPPWFRGAQJU-ULQDDVLXSA-N 2 1 350.507 0.920 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369202988 216363537 /nfs/dbraw/zinc/36/35/37/216363537.db2.gz FOPSQXXCHKFKMB-BRWVUGGUSA-N 2 1 354.495 0.338 10 0 FCAEMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000187297841 209210733 /nfs/dbraw/zinc/21/07/33/209210733.db2.gz FZPFFDCBBSBBBC-FUHWJXTLSA-N 2 1 363.506 0.905 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000187297841 209210737 /nfs/dbraw/zinc/21/07/37/209210737.db2.gz FZPFFDCBBSBBBC-FUHWJXTLSA-N 2 1 363.506 0.905 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000187297841 209210741 /nfs/dbraw/zinc/21/07/41/209210741.db2.gz FZPFFDCBBSBBBC-FUHWJXTLSA-N 2 1 363.506 0.905 10 0 FCAEMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C[C@@H](C)O1 ZINC000415338419 245388876 /nfs/dbraw/zinc/38/88/76/245388876.db2.gz ZDBASBCKNRVHPW-CPUCHLNUSA-N 2 1 360.458 0.712 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000375293195 217245249 /nfs/dbraw/zinc/24/52/49/217245249.db2.gz QURPAVLONXVPPD-PKOBYXMFSA-N 2 1 353.507 0.962 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000375293195 217245251 /nfs/dbraw/zinc/24/52/51/217245251.db2.gz QURPAVLONXVPPD-PKOBYXMFSA-N 2 1 353.507 0.962 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000375293195 217245255 /nfs/dbraw/zinc/24/52/55/217245255.db2.gz QURPAVLONXVPPD-PKOBYXMFSA-N 2 1 353.507 0.962 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000419139061 246011038 /nfs/dbraw/zinc/01/10/38/246011038.db2.gz RWFRUZQXEMRYSL-BRWVUGGUSA-N 2 1 359.474 0.544 10 0 FCAEMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419330687 246100101 /nfs/dbraw/zinc/10/01/01/246100101.db2.gz IGDSIQLSXKYANH-VNFSMLJESA-N 2 1 374.529 0.855 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000419415616 246149462 /nfs/dbraw/zinc/14/94/62/246149462.db2.gz VLOVCIHCLKZEAG-ZFWWWQNUSA-N 2 1 352.504 0.973 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419531502 246191492 /nfs/dbraw/zinc/19/14/92/246191492.db2.gz KXVUWYZQEZBPMM-MXSMSXNCSA-N 2 1 358.486 0.737 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419538374 246197654 /nfs/dbraw/zinc/19/76/54/246197654.db2.gz XBMPCPOQVZTGEL-FZCLSBEQSA-N 2 1 358.486 0.737 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419538695 246197883 /nfs/dbraw/zinc/19/78/83/246197883.db2.gz XJPSKBJHMKSCIY-NXHRZFHOSA-N 2 1 358.486 0.881 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419830939 246309726 /nfs/dbraw/zinc/30/97/26/246309726.db2.gz QXGVOMLWLYKCQS-SJORKVTESA-N 2 1 359.474 0.421 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000419932712 246375678 /nfs/dbraw/zinc/37/56/78/246375678.db2.gz QDVDSOLZGREOSR-QGZVFWFLSA-N 2 1 367.453 0.855 10 0 FCAEMP CN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419906893 246362068 /nfs/dbraw/zinc/36/20/68/246362068.db2.gz AWCFKHBNJUDFKB-SJLPKXTDSA-N 2 1 358.486 0.835 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000423689275 247110381 /nfs/dbraw/zinc/11/03/81/247110381.db2.gz XMVKDQHRAGYKLN-WBVHZDCISA-N 2 1 359.474 0.355 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000423689275 247110390 /nfs/dbraw/zinc/11/03/90/247110390.db2.gz XMVKDQHRAGYKLN-WBVHZDCISA-N 2 1 359.474 0.355 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423639352 247087444 /nfs/dbraw/zinc/08/74/44/247087444.db2.gz JJJUBNNJLRBIIX-ROUUACIJSA-N 2 1 371.485 0.641 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000423709033 247118391 /nfs/dbraw/zinc/11/83/91/247118391.db2.gz QCFRBTZJUZENNZ-RDJZCZTQSA-N 2 1 374.485 0.721 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000469971591 250014532 /nfs/dbraw/zinc/01/45/32/250014532.db2.gz FVXYLUXBLOMRBH-IBGZPJMESA-N 2 1 359.518 0.804 10 0 FCAEMP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473874493 250255098 /nfs/dbraw/zinc/25/50/98/250255098.db2.gz MGQMCCUHUOQRPH-UHFFFAOYSA-N 2 1 367.538 0.912 10 0 FCAEMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473964839 250259152 /nfs/dbraw/zinc/25/91/52/250259152.db2.gz KNZIMWZHEZWYKL-QGZVFWFLSA-N 2 1 367.538 0.912 10 0 FCAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473964839 250259157 /nfs/dbraw/zinc/25/91/57/250259157.db2.gz KNZIMWZHEZWYKL-QGZVFWFLSA-N 2 1 367.538 0.912 10 0 FCAEMP CCn1cncc1S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000481865872 250369123 /nfs/dbraw/zinc/36/91/23/250369123.db2.gz MWMLNUXDIIRDEQ-OAHLLOKOSA-N 2 1 357.524 0.940 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083231521 208104461 /nfs/dbraw/zinc/10/44/61/208104461.db2.gz RKNJERLLLPHXQU-QGZVFWFLSA-N 2 1 354.495 0.603 10 0 FCAEMP C[N@@H+](Cc1nc(N)nc(N)n1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127962 208209483 /nfs/dbraw/zinc/20/94/83/208209483.db2.gz BSNJZVYAZANBDR-INIZCTEOSA-N 2 1 371.489 0.913 10 0 FCAEMP C[N@H+](Cc1nc(N)nc(N)n1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127962 208209489 /nfs/dbraw/zinc/20/94/89/208209489.db2.gz BSNJZVYAZANBDR-INIZCTEOSA-N 2 1 371.489 0.913 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000177910638 209038346 /nfs/dbraw/zinc/03/83/46/209038346.db2.gz TVECVDIDNZSMGL-QGZVFWFLSA-N 2 1 362.474 0.602 10 0 FCAEMP O=C(CN1CC[N@H+]2CCC[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000178623705 209054982 /nfs/dbraw/zinc/05/49/82/209054982.db2.gz SCTYBXSGEJKCAZ-GOSISDBHSA-N 2 1 364.534 0.918 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179017999 209070269 /nfs/dbraw/zinc/07/02/69/209070269.db2.gz PPSYGPCACWBQAC-IEBWSBKVSA-N 2 1 373.501 0.895 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179017999 209070272 /nfs/dbraw/zinc/07/02/72/209070272.db2.gz PPSYGPCACWBQAC-IEBWSBKVSA-N 2 1 373.501 0.895 10 0 FCAEMP CCn1cc(C[N@@H+]2CCCN(C(=O)NCC[NH+](C)CCOC)CC2)cn1 ZINC000112719749 229167616 /nfs/dbraw/zinc/16/76/16/229167616.db2.gz GHAIGQRPRQUPDK-UHFFFAOYSA-N 2 1 366.510 0.699 10 0 FCAEMP CCn1cc(C[N@H+]2CCCN(C(=O)NCC[NH+](C)CCOC)CC2)cn1 ZINC000112719749 229167621 /nfs/dbraw/zinc/16/76/21/229167621.db2.gz GHAIGQRPRQUPDK-UHFFFAOYSA-N 2 1 366.510 0.699 10 0 FCAEMP CCn1cc(C[NH+]2CCCN(C(=O)NCC[N@H+](C)CCOC)CC2)cn1 ZINC000112719749 229167626 /nfs/dbraw/zinc/16/76/26/229167626.db2.gz GHAIGQRPRQUPDK-UHFFFAOYSA-N 2 1 366.510 0.699 10 0 FCAEMP CCn1cc(C[NH+]2CCCN(C(=O)NCC[N@@H+](C)CCOC)CC2)cn1 ZINC000112719749 229167630 /nfs/dbraw/zinc/16/76/30/229167630.db2.gz GHAIGQRPRQUPDK-UHFFFAOYSA-N 2 1 366.510 0.699 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000178913565 229227397 /nfs/dbraw/zinc/22/73/97/229227397.db2.gz XCAQWZFWYPSXSC-UHFFFAOYSA-N 2 1 353.511 0.570 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000184683539 488397053 /nfs/dbraw/zinc/39/70/53/488397053.db2.gz IRNDTQCTWZSYJU-INIZCTEOSA-N 2 1 356.511 0.443 10 0 FCAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000186371682 488406278 /nfs/dbraw/zinc/40/62/78/488406278.db2.gz HZKKIUSVVVDKBR-IAGOWNOFSA-N 2 1 370.538 0.972 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)c(=O)n2C ZINC000247350671 488484914 /nfs/dbraw/zinc/48/49/14/488484914.db2.gz YCHPXVWVKWHJLF-GJZGRUSLSA-N 2 1 374.489 0.240 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)c(=O)n2C ZINC000247350671 488484916 /nfs/dbraw/zinc/48/49/16/488484916.db2.gz YCHPXVWVKWHJLF-GJZGRUSLSA-N 2 1 374.489 0.240 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)c(=O)n2C ZINC000247350671 488484918 /nfs/dbraw/zinc/48/49/18/488484918.db2.gz YCHPXVWVKWHJLF-GJZGRUSLSA-N 2 1 374.489 0.240 10 0 FCAEMP C[C@H](O)C[NH+]1CCN(C/C=C/CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000247606985 488488936 /nfs/dbraw/zinc/48/89/36/488488936.db2.gz LUHGJKTZTGQXFT-MIIYPZDFSA-N 2 1 368.566 0.316 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC[N@H+]1C[C@@H](C)O ZINC000248451329 488496723 /nfs/dbraw/zinc/49/67/23/488496723.db2.gz JQTHFWDZSJGGKX-KURKYZTESA-N 2 1 370.538 0.830 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000248451329 488496724 /nfs/dbraw/zinc/49/67/24/488496724.db2.gz JQTHFWDZSJGGKX-KURKYZTESA-N 2 1 370.538 0.830 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000248451329 488496726 /nfs/dbraw/zinc/49/67/26/488496726.db2.gz JQTHFWDZSJGGKX-KURKYZTESA-N 2 1 370.538 0.830 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000250346823 488515864 /nfs/dbraw/zinc/51/58/64/488515864.db2.gz YWAKLBOLNMJPIF-CEXWTWQISA-N 2 1 354.539 0.170 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000250346823 488515866 /nfs/dbraw/zinc/51/58/66/488515866.db2.gz YWAKLBOLNMJPIF-CEXWTWQISA-N 2 1 354.539 0.170 10 0 FCAEMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000250346829 488516157 /nfs/dbraw/zinc/51/61/57/488516157.db2.gz YWAKLBOLNMJPIF-GUDVDZBRSA-N 2 1 354.539 0.170 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000111852258 488532138 /nfs/dbraw/zinc/53/21/38/488532138.db2.gz RXBQBOWMZTZGBB-QGZVFWFLSA-N 2 1 356.511 0.897 10 0 FCAEMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1OCC(N)=O ZINC000261896777 488540517 /nfs/dbraw/zinc/54/05/17/488540517.db2.gz HFSSGJQUUDNTES-OAGGEKHMSA-N 2 1 363.458 0.806 10 0 FCAEMP NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261944162 488542981 /nfs/dbraw/zinc/54/29/81/488542981.db2.gz NGDYTYRDMSFKER-ZACQAIPSSA-N 2 1 353.488 0.623 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262018833 488546406 /nfs/dbraw/zinc/54/64/06/488546406.db2.gz RMDZBUDEBPLLRT-WBVHZDCISA-N 2 1 374.485 0.578 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)N2CCOCC2)C[C@H]1CC ZINC000117031469 488549880 /nfs/dbraw/zinc/54/98/80/488549880.db2.gz MQTHNCWGFVSEHC-IAGOWNOFSA-N 2 1 356.511 0.849 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)NCCCN2CCOCC2)C[C@H]1CC ZINC000117023428 488550169 /nfs/dbraw/zinc/55/01/69/488550169.db2.gz ZGMGLJXNBBUJRS-QGZVFWFLSA-N 2 1 356.511 0.851 10 0 FCAEMP CC[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000117475882 488551235 /nfs/dbraw/zinc/55/12/35/488551235.db2.gz GBBSLOJBIHGPQM-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP CC(=O)N1CC[NH+](CCOc2ccc(CCNC3=[NH+]CCCN3)cc2)CC1 ZINC000262114668 488551319 /nfs/dbraw/zinc/55/13/19/488551319.db2.gz KZUSVDCREZKWTB-UHFFFAOYSA-N 2 1 373.501 0.711 10 0 FCAEMP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000120613773 488562385 /nfs/dbraw/zinc/56/23/85/488562385.db2.gz ULDCUWHYJOSVCD-LJQANCHMSA-N 2 1 364.490 0.631 10 0 FCAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123659 488563733 /nfs/dbraw/zinc/56/37/33/488563733.db2.gz SUROVFZWBHAVAX-UONOGXRCSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123659 488563734 /nfs/dbraw/zinc/56/37/34/488563734.db2.gz SUROVFZWBHAVAX-UONOGXRCSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272123659 488563735 /nfs/dbraw/zinc/56/37/35/488563735.db2.gz SUROVFZWBHAVAX-UONOGXRCSA-N 2 1 362.478 0.096 10 0 FCAEMP CC(C)COC[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121301634 488566038 /nfs/dbraw/zinc/56/60/38/488566038.db2.gz PQDIDWAWJDUTMA-SFHVURJKSA-N 2 1 355.523 0.896 10 0 FCAEMP CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NCC[NH+](C)C ZINC000132674011 488655028 /nfs/dbraw/zinc/65/50/28/488655028.db2.gz UTQINLFNNBDVAJ-CABCVRRESA-N 2 1 358.552 0.632 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)CC1 ZINC000133737781 488661670 /nfs/dbraw/zinc/66/16/70/488661670.db2.gz DFYBEJNAWDHWCO-MRXNPFEDSA-N 2 1 368.547 0.484 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000157756530 488773804 /nfs/dbraw/zinc/77/38/04/488773804.db2.gz DBBMDXBQXFQBSD-UHFFFAOYSA-N 2 1 353.511 0.618 10 0 FCAEMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000164455668 488810595 /nfs/dbraw/zinc/81/05/95/488810595.db2.gz HBZSEXMIODKPSM-HUUCEWRRSA-N 2 1 362.474 0.912 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000167821704 488812523 /nfs/dbraw/zinc/81/25/23/488812523.db2.gz UZYMKEGZEWBQHP-DLBZAZTESA-N 2 1 350.507 0.907 10 0 FCAEMP O=C(CSCC(=O)N1CC[NH+]2CCC[C@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171756894 488826869 /nfs/dbraw/zinc/82/68/69/488826869.db2.gz YVWIMAJADNGYAV-IYBDPMFKSA-N 2 1 366.531 0.333 10 0 FCAEMP O=C(CSCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171756894 488826870 /nfs/dbraw/zinc/82/68/70/488826870.db2.gz YVWIMAJADNGYAV-IYBDPMFKSA-N 2 1 366.531 0.333 10 0 FCAEMP O=C(CSCC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171756894 488826871 /nfs/dbraw/zinc/82/68/71/488826871.db2.gz YVWIMAJADNGYAV-IYBDPMFKSA-N 2 1 366.531 0.333 10 0 FCAEMP CN1CCN(Cc2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc2)CC1 ZINC000173978684 488846726 /nfs/dbraw/zinc/84/67/26/488846726.db2.gz YDFUODSUYWOLOE-FQEVSTJZSA-N 2 1 372.513 0.981 10 0 FCAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000174898091 488851849 /nfs/dbraw/zinc/85/18/49/488851849.db2.gz OAJZECOKFMDIPB-INIZCTEOSA-N 2 1 365.522 0.809 10 0 FCAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000174898091 488851850 /nfs/dbraw/zinc/85/18/50/488851850.db2.gz OAJZECOKFMDIPB-INIZCTEOSA-N 2 1 365.522 0.809 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000175803584 488855650 /nfs/dbraw/zinc/85/56/50/488855650.db2.gz OPAJPBQWXBKMQV-IAGOWNOFSA-N 2 1 355.527 0.232 10 0 FCAEMP CC[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000179315999 488861046 /nfs/dbraw/zinc/86/10/46/488861046.db2.gz GVZGIBRXEWLCCE-QGZVFWFLSA-N 2 1 369.554 0.765 10 0 FCAEMP C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1O ZINC000287202983 489470101 /nfs/dbraw/zinc/47/01/01/489470101.db2.gz NAXZVADAWQMQOX-STQMWFEESA-N 2 1 350.463 0.752 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000363599775 489482495 /nfs/dbraw/zinc/48/24/95/489482495.db2.gz GQKQUKQNVBDXOM-IAGOWNOFSA-N 2 1 368.522 0.437 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000363599775 489482496 /nfs/dbraw/zinc/48/24/96/489482496.db2.gz GQKQUKQNVBDXOM-IAGOWNOFSA-N 2 1 368.522 0.437 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000363599775 489482497 /nfs/dbraw/zinc/48/24/97/489482497.db2.gz GQKQUKQNVBDXOM-IAGOWNOFSA-N 2 1 368.522 0.437 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423273634 489509780 /nfs/dbraw/zinc/50/97/80/489509780.db2.gz LGPFQRGQXXJVFC-FGTMMUONSA-N 2 1 356.470 0.635 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415628612 489538243 /nfs/dbraw/zinc/53/82/43/489538243.db2.gz UWBAVVYYQXBSRS-MAUKXSAKSA-N 2 1 374.485 0.614 10 0 FCAEMP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415661993 489539984 /nfs/dbraw/zinc/53/99/84/489539984.db2.gz UXRXXAZXTMXPMK-VIFPVBQESA-N 2 1 357.252 0.913 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000452108184 489546883 /nfs/dbraw/zinc/54/68/83/489546883.db2.gz DLEHUOJXSXNUEN-ZWKOTPCHSA-N 2 1 354.539 0.874 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452108184 489546887 /nfs/dbraw/zinc/54/68/87/489546887.db2.gz DLEHUOJXSXNUEN-ZWKOTPCHSA-N 2 1 354.539 0.874 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452108184 489546888 /nfs/dbraw/zinc/54/68/88/489546888.db2.gz DLEHUOJXSXNUEN-ZWKOTPCHSA-N 2 1 354.539 0.874 10 0 FCAEMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000415775415 489552333 /nfs/dbraw/zinc/55/23/33/489552333.db2.gz UDYSVKPHCCFOPO-SFHVURJKSA-N 2 1 350.438 0.889 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000563694178 491263692 /nfs/dbraw/zinc/26/36/92/491263692.db2.gz CDULPFFUANYCFA-QFBILLFUSA-N 2 1 350.507 0.825 10 0 FCAEMP CNS(=O)(=O)CCCN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427025413 489591503 /nfs/dbraw/zinc/59/15/03/489591503.db2.gz AIRWVVJMKMGPAI-UHFFFAOYSA-N 2 1 354.520 0.960 10 0 FCAEMP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1=O ZINC000372585927 489604290 /nfs/dbraw/zinc/60/42/90/489604290.db2.gz SBAMUENVNHWTFT-BFYDXBDKSA-N 2 1 365.522 0.663 10 0 FCAEMP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1=O ZINC000372585927 489604292 /nfs/dbraw/zinc/60/42/92/489604292.db2.gz SBAMUENVNHWTFT-BFYDXBDKSA-N 2 1 365.522 0.663 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417417233 489652020 /nfs/dbraw/zinc/65/20/20/489652020.db2.gz AGTHMOAJQRVMEX-OWCLPIDISA-N 2 1 351.495 0.465 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417435712 489653652 /nfs/dbraw/zinc/65/36/52/489653652.db2.gz ZCGQQHMUGMNHEO-LPHOPBHVSA-N 2 1 365.522 0.714 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417435718 489653681 /nfs/dbraw/zinc/65/36/81/489653681.db2.gz ZCGQQHMUGMNHEO-VQIMIIECSA-N 2 1 365.522 0.714 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457710281 489654846 /nfs/dbraw/zinc/65/48/46/489654846.db2.gz OEZIGBBWFCZGKP-MRXNPFEDSA-N 2 1 356.511 0.897 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@H](C)C1 ZINC000417672173 489661176 /nfs/dbraw/zinc/66/11/76/489661176.db2.gz RVPGZDZISOCHAZ-HZPDHXFCSA-N 2 1 354.495 0.507 10 0 FCAEMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003422 489670153 /nfs/dbraw/zinc/67/01/53/489670153.db2.gz YLGFZFXXCQIRKY-LPHOPBHVSA-N 2 1 358.442 0.892 10 0 FCAEMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003422 489670155 /nfs/dbraw/zinc/67/01/55/489670155.db2.gz YLGFZFXXCQIRKY-LPHOPBHVSA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003422 489670156 /nfs/dbraw/zinc/67/01/56/489670156.db2.gz YLGFZFXXCQIRKY-LPHOPBHVSA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003422 489670158 /nfs/dbraw/zinc/67/01/58/489670158.db2.gz YLGFZFXXCQIRKY-LPHOPBHVSA-N 2 1 358.442 0.892 10 0 FCAEMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003427 489670236 /nfs/dbraw/zinc/67/02/36/489670236.db2.gz YLGFZFXXCQIRKY-QFBILLFUSA-N 2 1 358.442 0.892 10 0 FCAEMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003427 489670238 /nfs/dbraw/zinc/67/02/38/489670238.db2.gz YLGFZFXXCQIRKY-QFBILLFUSA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003427 489670240 /nfs/dbraw/zinc/67/02/40/489670240.db2.gz YLGFZFXXCQIRKY-QFBILLFUSA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003427 489670242 /nfs/dbraw/zinc/67/02/42/489670242.db2.gz YLGFZFXXCQIRKY-QFBILLFUSA-N 2 1 358.442 0.892 10 0 FCAEMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003432 489670445 /nfs/dbraw/zinc/67/04/45/489670445.db2.gz YLGFZFXXCQIRKY-VQIMIIECSA-N 2 1 358.442 0.892 10 0 FCAEMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003432 489670448 /nfs/dbraw/zinc/67/04/48/489670448.db2.gz YLGFZFXXCQIRKY-VQIMIIECSA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003432 489670450 /nfs/dbraw/zinc/67/04/50/489670450.db2.gz YLGFZFXXCQIRKY-VQIMIIECSA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003432 489670453 /nfs/dbraw/zinc/67/04/53/489670453.db2.gz YLGFZFXXCQIRKY-VQIMIIECSA-N 2 1 358.442 0.892 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418325251 489691737 /nfs/dbraw/zinc/69/17/37/489691737.db2.gz IHHFSIGQNRNINR-KRWDZBQOSA-N 2 1 374.489 0.167 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418598855 489708910 /nfs/dbraw/zinc/70/89/10/489708910.db2.gz QWWAOWXAAOXZJJ-JKSUJKDBSA-N 2 1 353.511 0.570 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418598855 489708912 /nfs/dbraw/zinc/70/89/12/489708912.db2.gz QWWAOWXAAOXZJJ-JKSUJKDBSA-N 2 1 353.511 0.570 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418672860 489717254 /nfs/dbraw/zinc/71/72/54/489717254.db2.gz NHTSNTQBQWRQIT-ABHNRTSZSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418672860 489717256 /nfs/dbraw/zinc/71/72/56/489717256.db2.gz NHTSNTQBQWRQIT-ABHNRTSZSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418672860 489717258 /nfs/dbraw/zinc/71/72/58/489717258.db2.gz NHTSNTQBQWRQIT-ABHNRTSZSA-N 2 1 367.538 0.349 10 0 FCAEMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000418833093 489745412 /nfs/dbraw/zinc/74/54/12/489745412.db2.gz ZUVODVURIPGGTH-XLIONFOSSA-N 2 1 358.486 0.978 10 0 FCAEMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418859828 489761271 /nfs/dbraw/zinc/76/12/71/489761271.db2.gz LDLVMFUEJCDHIA-KSZLIROESA-N 2 1 356.470 0.730 10 0 FCAEMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418861757 489762777 /nfs/dbraw/zinc/76/27/77/489762777.db2.gz NLLVWOVPYVETLO-SJLPKXTDSA-N 2 1 358.486 0.883 10 0 FCAEMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418874832 489770236 /nfs/dbraw/zinc/77/02/36/489770236.db2.gz CKYVGIDCMOLRQS-QZTJIDSGSA-N 2 1 374.485 0.815 10 0 FCAEMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418874832 489770241 /nfs/dbraw/zinc/77/02/41/489770241.db2.gz CKYVGIDCMOLRQS-QZTJIDSGSA-N 2 1 374.485 0.815 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000418879914 489772470 /nfs/dbraw/zinc/77/24/70/489772470.db2.gz OEFLQHSKOZWCBK-FHLIZLRMSA-N 2 1 372.469 0.649 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000418879914 489772476 /nfs/dbraw/zinc/77/24/76/489772476.db2.gz OEFLQHSKOZWCBK-FHLIZLRMSA-N 2 1 372.469 0.649 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987839 489791531 /nfs/dbraw/zinc/79/15/31/489791531.db2.gz NITDQDVEIJCFCL-KURKYZTESA-N 2 1 372.579 0.616 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C3CCC3)CC2)C1 ZINC000376765357 489792918 /nfs/dbraw/zinc/79/29/18/489792918.db2.gz QKHLCZJSNNTSOY-GOSISDBHSA-N 2 1 352.523 0.630 10 0 FCAEMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)[NH+]1CCOCC1 ZINC000419116252 489862364 /nfs/dbraw/zinc/86/23/64/489862364.db2.gz LCKSRLDCVOAHJV-QGZVFWFLSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCOCC2)CCCO1 ZINC000433278806 489874811 /nfs/dbraw/zinc/87/48/11/489874811.db2.gz LPLJBAZGBHYRGW-KRWDZBQOSA-N 2 1 356.511 0.899 10 0 FCAEMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419990611 489874926 /nfs/dbraw/zinc/87/49/26/489874926.db2.gz CQOXCKWOCOVHFE-CEXWTWQISA-N 2 1 370.497 0.835 10 0 FCAEMP CCC(CC)[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000460805939 489883108 /nfs/dbraw/zinc/88/31/08/489883108.db2.gz VPFUJUBHBFKHQO-GOSISDBHSA-N 2 1 354.539 0.829 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000420110936 489915884 /nfs/dbraw/zinc/91/58/84/489915884.db2.gz ZWMIMXYJJJXGNV-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[N@H+]1CCOC ZINC000420110936 489915886 /nfs/dbraw/zinc/91/58/86/489915886.db2.gz ZWMIMXYJJJXGNV-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000420130500 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AHNRTNYCJQKRRJ-MDZRGWNJSA-N 2 1 350.507 0.777 10 0 FCAEMP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615140042 492075269 /nfs/dbraw/zinc/07/52/69/492075269.db2.gz RGQGBVFYGKSYKT-KRWDZBQOSA-N 2 1 353.532 0.995 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000605222149 492087698 /nfs/dbraw/zinc/08/76/98/492087698.db2.gz BHIYRSHERRITOH-IAGOWNOFSA-N 2 1 360.506 0.986 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000605222149 492087700 /nfs/dbraw/zinc/08/77/00/492087700.db2.gz BHIYRSHERRITOH-IAGOWNOFSA-N 2 1 360.506 0.986 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000617504275 492173049 /nfs/dbraw/zinc/17/30/49/492173049.db2.gz NSATVQONOMDBAM-YNEHKIRRSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000617504275 492173051 /nfs/dbraw/zinc/17/30/51/492173051.db2.gz NSATVQONOMDBAM-YNEHKIRRSA-N 2 1 366.428 0.832 10 0 FCAEMP 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ZINC000929592929 673966261 /nfs/dbraw/zinc/96/62/61/673966261.db2.gz JKNVPABKBXOIIH-INIZCTEOSA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1CCC(C)CC1 ZINC000929785065 673976667 /nfs/dbraw/zinc/97/66/67/673976667.db2.gz LIBHZOFBXCMVIM-JTDSTZFVSA-N 2 1 350.507 0.633 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000929935794 673986588 /nfs/dbraw/zinc/98/65/88/673986588.db2.gz RCKVNCAQLBZHEJ-CABCVRRESA-N 2 1 354.520 0.283 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000929935794 673986591 /nfs/dbraw/zinc/98/65/91/673986591.db2.gz RCKVNCAQLBZHEJ-CABCVRRESA-N 2 1 354.520 0.283 10 0 FCAEMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CC1 ZINC000929935794 673986592 /nfs/dbraw/zinc/98/65/92/673986592.db2.gz RCKVNCAQLBZHEJ-CABCVRRESA-N 2 1 354.520 0.283 10 0 FCAEMP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1CC1 ZINC000929935794 673986593 /nfs/dbraw/zinc/98/65/93/673986593.db2.gz RCKVNCAQLBZHEJ-CABCVRRESA-N 2 1 354.520 0.283 10 0 FCAEMP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CCCC1 ZINC000929996987 673991295 /nfs/dbraw/zinc/99/12/95/673991295.db2.gz URYAJIRTPPAPGX-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CCCC1 ZINC000929996987 673991296 /nfs/dbraw/zinc/99/12/96/673991296.db2.gz URYAJIRTPPAPGX-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1CCCC1 ZINC000929996987 673991297 /nfs/dbraw/zinc/99/12/97/673991297.db2.gz URYAJIRTPPAPGX-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1CCCC1 ZINC000929996987 673991298 /nfs/dbraw/zinc/99/12/98/673991298.db2.gz URYAJIRTPPAPGX-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000930084599 673996832 /nfs/dbraw/zinc/99/68/32/673996832.db2.gz AHOCRWHZPHGKNH-BZSNNMDCSA-N 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FCAEMP COC1CC[NH+](C2(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CCCC2)CC1 ZINC000900625770 675701235 /nfs/dbraw/zinc/70/12/35/675701235.db2.gz YMDXNIDOHRLIDF-QAPCUYQASA-N 2 1 353.507 0.981 10 0 FCAEMP COC1CC[NH+](C2(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CCCC2)CC1 ZINC000900625770 675701239 /nfs/dbraw/zinc/70/12/39/675701239.db2.gz YMDXNIDOHRLIDF-QAPCUYQASA-N 2 1 353.507 0.981 10 0 FCAEMP COC1CC[NH+](C2(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CCCC2)CC1 ZINC000900625764 675701284 /nfs/dbraw/zinc/70/12/84/675701284.db2.gz YMDXNIDOHRLIDF-MAUKXSAKSA-N 2 1 353.507 0.981 10 0 FCAEMP COC1CC[NH+](C2(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CCCC2)CC1 ZINC000900625764 675701290 /nfs/dbraw/zinc/70/12/90/675701290.db2.gz YMDXNIDOHRLIDF-MAUKXSAKSA-N 2 1 353.507 0.981 10 0 FCAEMP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900980137 675736833 /nfs/dbraw/zinc/73/68/33/675736833.db2.gz HUWJQLJRCBVYPF-ZACQAIPSSA-N 2 1 371.547 0.971 10 0 FCAEMP C[NH+](C)CCCN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000900982095 675737142 /nfs/dbraw/zinc/73/71/42/675737142.db2.gz UZOSEWZNRRITCB-WBVHZDCISA-N 2 1 357.520 0.440 10 0 FCAEMP O=C(NCCN1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001266285499 1167875666 /nfs/dbraw/zinc/87/56/66/1167875666.db2.gz BGZZTLGKZFKBDO-GVDBMIGSSA-N 2 1 361.490 0.674 10 0 FCAEMP CCCC[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266285979 1167878899 /nfs/dbraw/zinc/87/88/99/1167878899.db2.gz UKOFFUJMVMVDDZ-BRWVUGGUSA-N 2 1 367.538 0.105 10 0 FCAEMP CCCC[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266285979 1167878902 /nfs/dbraw/zinc/87/89/02/1167878902.db2.gz UKOFFUJMVMVDDZ-BRWVUGGUSA-N 2 1 367.538 0.105 10 0 FCAEMP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001719579109 1168320923 /nfs/dbraw/zinc/32/09/23/1168320923.db2.gz VYCJSYLDTXIHFW-SJORKVTESA-N 2 1 361.490 0.840 10 0 FCAEMP 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CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897632693 1192838132 /nfs/dbraw/zinc/83/81/32/1192838132.db2.gz TYDMCUKBYFVZOS-HOTGVXAUSA-N 2 1 361.490 0.965 10 0 FCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897632692 1192838193 /nfs/dbraw/zinc/83/81/93/1192838193.db2.gz TYDMCUKBYFVZOS-CVEARBPZSA-N 2 1 361.490 0.965 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897636726 1192839725 /nfs/dbraw/zinc/83/97/25/1192839725.db2.gz VDSMJJBMXWPPFM-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897636726 1192839728 /nfs/dbraw/zinc/83/97/28/1192839728.db2.gz VDSMJJBMXWPPFM-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000897636726 1192839729 /nfs/dbraw/zinc/83/97/29/1192839729.db2.gz VDSMJJBMXWPPFM-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000897636726 1192839730 /nfs/dbraw/zinc/83/97/30/1192839730.db2.gz VDSMJJBMXWPPFM-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897636726 1192839731 /nfs/dbraw/zinc/83/97/31/1192839731.db2.gz VDSMJJBMXWPPFM-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000897827159 1192847668 /nfs/dbraw/zinc/84/76/68/1192847668.db2.gz BOKJHBUJPNTXGF-UHFFFAOYSA-N 2 1 368.522 0.548 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001719688022 1179386177 /nfs/dbraw/zinc/38/61/77/1179386177.db2.gz LGRYYNSJBHXEKX-HLIPFELVSA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001719688022 1179386184 /nfs/dbraw/zinc/38/61/84/1179386184.db2.gz LGRYYNSJBHXEKX-HLIPFELVSA-N 2 1 364.534 0.977 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001268155821 1186552549 /nfs/dbraw/zinc/55/25/49/1186552549.db2.gz KDXWDLYZSCGHPU-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@H+]1C ZINC001482101787 1187617128 /nfs/dbraw/zinc/61/71/28/1187617128.db2.gz GSKNCUIWYWFNDL-AEGPPILISA-N 2 1 365.478 0.994 10 0 FCAEMP COCCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001270519845 1188184301 /nfs/dbraw/zinc/18/43/01/1188184301.db2.gz IZIQKBCZKJTACY-GVDBMIGSSA-N 2 1 361.490 0.768 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000552941245 1193960602 /nfs/dbraw/zinc/96/06/02/1193960602.db2.gz ZSQDQGKJUAYLLQ-HMQMGEFJSA-N 2 1 366.506 0.345 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000552941245 1193960604 /nfs/dbraw/zinc/96/06/04/1193960604.db2.gz ZSQDQGKJUAYLLQ-HMQMGEFJSA-N 2 1 366.506 0.345 10 0 FCAEMP 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C[NH+](C)CCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001489649737 1209036241 /nfs/dbraw/zinc/03/62/41/1209036241.db2.gz AVCZJQYXZNIENE-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CCC[NH+](C)C ZINC001489989409 1209198432 /nfs/dbraw/zinc/19/84/32/1209198432.db2.gz BQIUMOXINAQMJV-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CCC[NH+](C)C ZINC001489989409 1209198435 /nfs/dbraw/zinc/19/84/35/1209198435.db2.gz BQIUMOXINAQMJV-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@@H]2C1 ZINC001490041277 1209222755 /nfs/dbraw/zinc/22/27/55/1209222755.db2.gz SNRVIIFIZKFRRN-SJORKVTESA-N 2 1 352.523 0.977 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001490223540 1209276112 /nfs/dbraw/zinc/27/61/12/1209276112.db2.gz KHEIUOYMYNZEJJ-APWZRJJASA-N 2 1 352.523 0.977 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)Nc3cc(C)on3)CC2)CC[N@H+]1C ZINC001277060138 1225817827 /nfs/dbraw/zinc/81/78/27/1225817827.db2.gz JVDIVURVJAHJTF-UONOGXRCSA-N 2 1 363.462 0.890 10 0 FCAEMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903885891 1218560781 /nfs/dbraw/zinc/56/07/81/1218560781.db2.gz LQRGIHGVJGUCTM-BZUAXINKSA-N 2 1 364.494 0.566 10 0 FCAEMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903886823 1218560834 /nfs/dbraw/zinc/56/08/34/1218560834.db2.gz TWAXTYUUOJQPMW-USXIJHARSA-N 2 1 365.522 0.709 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cnn1C ZINC000903899676 1218561575 /nfs/dbraw/zinc/56/15/75/1218561575.db2.gz WGLFZWUXSFTOIX-AEFFLSMTSA-N 2 1 362.522 0.084 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cnn1C ZINC000903980789 1218579339 /nfs/dbraw/zinc/57/93/39/1218579339.db2.gz ZXWQNZRNPRAEES-FFZOFVMBSA-N 3 1 360.550 0.747 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000826882518 1218909944 /nfs/dbraw/zinc/90/99/44/1218909944.db2.gz MQBGCDOYZKCAKA-IAGOWNOFSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804052691 1219106620 /nfs/dbraw/zinc/10/66/20/1219106620.db2.gz ZLHBRCVZSLSLMP-IAGOWNOFSA-N 2 1 366.506 0.204 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000804060448 1219116062 /nfs/dbraw/zinc/11/60/62/1219116062.db2.gz RWKZEZUKCOPWLJ-TWMKSMIVSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000804060448 1219116066 /nfs/dbraw/zinc/11/60/66/1219116066.db2.gz RWKZEZUKCOPWLJ-TWMKSMIVSA-N 2 1 366.506 0.155 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001491153836 1220088898 /nfs/dbraw/zinc/08/88/98/1220088898.db2.gz XVCFDINXUAAGKV-RBSFLKMASA-N 2 1 363.462 0.782 10 0 FCAEMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001118132161 1221716714 /nfs/dbraw/zinc/71/67/14/1221716714.db2.gz STOUQWONBKDHHM-AWEZNQCLSA-N 2 1 358.450 0.335 10 0 FCAEMP Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)nnn1C1CC[NH2+]CC1 ZINC001118264690 1221746378 /nfs/dbraw/zinc/74/63/78/1221746378.db2.gz LCTWJJJLNVWWGU-MRXNPFEDSA-N 2 1 355.446 0.693 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC001118510526 1221791565 /nfs/dbraw/zinc/79/15/65/1221791565.db2.gz IFCCNUHQOSZLOB-IBGZPJMESA-N 2 1 372.513 0.972 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001118865793 1221837573 /nfs/dbraw/zinc/83/75/73/1221837573.db2.gz SBKZUBNTTWZNFC-YVSFHVDLSA-N 2 1 362.449 0.944 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001118865793 1221837575 /nfs/dbraw/zinc/83/75/75/1221837575.db2.gz SBKZUBNTTWZNFC-YVSFHVDLSA-N 2 1 362.449 0.944 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001118888567 1221840723 /nfs/dbraw/zinc/84/07/23/1221840723.db2.gz TURPHSGVQRCFJY-OAHLLOKOSA-N 2 1 364.494 0.413 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001118888567 1221840724 /nfs/dbraw/zinc/84/07/24/1221840724.db2.gz TURPHSGVQRCFJY-OAHLLOKOSA-N 2 1 364.494 0.413 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)c3cncn3C)CC2)CC1 ZINC001119522499 1221927295 /nfs/dbraw/zinc/92/72/95/1221927295.db2.gz IBRJFUQGEQJZGV-QGZVFWFLSA-N 2 1 363.506 0.766 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC001119610921 1221940518 /nfs/dbraw/zinc/94/05/18/1221940518.db2.gz KDVCCKDCIQWIGP-OIISXLGYSA-N 2 1 364.490 0.051 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC001119610921 1221940524 /nfs/dbraw/zinc/94/05/24/1221940524.db2.gz KDVCCKDCIQWIGP-OIISXLGYSA-N 2 1 364.490 0.051 10 0 FCAEMP CC(C)(CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C[NH+]1CCCC1 ZINC001123551674 1222338754 /nfs/dbraw/zinc/33/87/54/1222338754.db2.gz NOBDHUVLBMUXTK-QFBILLFUSA-N 2 1 368.522 0.633 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001142040663 1222803294 /nfs/dbraw/zinc/80/32/94/1222803294.db2.gz AGZRNAMFWCPWTL-UHFFFAOYSA-N 2 1 367.360 0.219 10 0 FCAEMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000843248658 1245327700 /nfs/dbraw/zinc/32/77/00/1245327700.db2.gz JXNXAASJMFCCIB-MWDXBVQZSA-N 2 1 368.522 0.495 10 0 FCAEMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000843248658 1245327702 /nfs/dbraw/zinc/32/77/02/1245327702.db2.gz JXNXAASJMFCCIB-MWDXBVQZSA-N 2 1 368.522 0.495 10 0 FCAEMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000843248658 1245327704 /nfs/dbraw/zinc/32/77/04/1245327704.db2.gz JXNXAASJMFCCIB-MWDXBVQZSA-N 2 1 368.522 0.495 10 0 FCAEMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000843248658 1245327709 /nfs/dbraw/zinc/32/77/09/1245327709.db2.gz JXNXAASJMFCCIB-MWDXBVQZSA-N 2 1 368.522 0.495 10 0 FCAEMP NC(=O)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000849064834 1245392220 /nfs/dbraw/zinc/39/22/20/1245392220.db2.gz CUQKDGGXSKVLRJ-OAHLLOKOSA-N 2 1 365.453 0.306 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000849488924 1245396303 /nfs/dbraw/zinc/39/63/03/1245396303.db2.gz PSOABCYDYZGAFN-MSOLQXFVSA-N 2 1 362.522 0.161 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849538678 1245399891 /nfs/dbraw/zinc/39/98/91/1245399891.db2.gz LXVCEFLIJLGMPO-HZPDHXFCSA-N 2 1 359.478 0.571 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849538678 1245399893 /nfs/dbraw/zinc/39/98/93/1245399893.db2.gz LXVCEFLIJLGMPO-HZPDHXFCSA-N 2 1 359.478 0.571 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000849563681 1245401927 /nfs/dbraw/zinc/40/19/27/1245401927.db2.gz LZZIWUXRIGWOOV-SQNIBIBYSA-N 2 1 363.506 0.418 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849568021 1245402046 /nfs/dbraw/zinc/40/20/46/1245402046.db2.gz LRUATJWLIQPCEJ-YQVWRLOYSA-N 2 1 365.522 0.663 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000849581563 1245403437 /nfs/dbraw/zinc/40/34/37/1245403437.db2.gz HNWAZPOQKFDNSF-HOTGVXAUSA-N 2 1 357.462 0.527 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000849581563 1245403440 /nfs/dbraw/zinc/40/34/40/1245403440.db2.gz HNWAZPOQKFDNSF-HOTGVXAUSA-N 2 1 357.462 0.527 10 0 FCAEMP C[NH+](C)[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871001221 1245433302 /nfs/dbraw/zinc/43/33/02/1245433302.db2.gz VTMUYICJFCNVIZ-YVSFHVDLSA-N 2 1 358.442 0.683 10 0 FCAEMP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000919297522 1245603199 /nfs/dbraw/zinc/60/31/99/1245603199.db2.gz NDLFZYYKZSHSTM-IXDOHACOSA-N 2 1 360.506 0.984 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000919297522 1245603205 /nfs/dbraw/zinc/60/32/05/1245603205.db2.gz NDLFZYYKZSHSTM-IXDOHACOSA-N 2 1 360.506 0.984 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000919297522 1245603219 /nfs/dbraw/zinc/60/32/19/1245603219.db2.gz NDLFZYYKZSHSTM-IXDOHACOSA-N 2 1 360.506 0.984 10 0 FCAEMP CCO[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C[NH+](C)C ZINC000922838707 1245689562 /nfs/dbraw/zinc/68/95/62/1245689562.db2.gz JQUBVDODYMYOEO-MRXNPFEDSA-N 2 1 372.510 0.134 10 0 FCAEMP O=C(CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCc2ccccc21 ZINC000923321384 1245708423 /nfs/dbraw/zinc/70/84/23/1245708423.db2.gz DJTCHIGROPRLSJ-SFHVURJKSA-N 2 1 370.497 0.572 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923416467 1245717178 /nfs/dbraw/zinc/71/71/78/1245717178.db2.gz XCOMNUGSXKMUQT-DIECFANBSA-N 2 1 365.405 0.432 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923416466 1245718073 /nfs/dbraw/zinc/71/80/73/1245718073.db2.gz XCOMNUGSXKMUQT-ABFRBSLYSA-N 2 1 365.405 0.432 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000923460196 1245720654 /nfs/dbraw/zinc/72/06/54/1245720654.db2.gz CXNKNABJSUXOFW-UHFFFAOYSA-N 2 1 374.407 0.739 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000923462888 1245721458 /nfs/dbraw/zinc/72/14/58/1245721458.db2.gz DDTGDYIYJHZATG-UHFFFAOYSA-N 2 1 373.501 0.359 10 0 FCAEMP COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000923464040 1245722222 /nfs/dbraw/zinc/72/22/22/1245722222.db2.gz JQKHIDRVOHYWJX-OAHLLOKOSA-N 2 1 364.490 0.546 10 0 FCAEMP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465190 1245722398 /nfs/dbraw/zinc/72/23/98/1245722398.db2.gz WSMFTUOLIFUIJC-HOTGVXAUSA-N 2 1 362.474 0.168 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000940596687 1246346327 /nfs/dbraw/zinc/34/63/27/1246346327.db2.gz UXJHLJWURXBMBS-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000940596687 1246346336 /nfs/dbraw/zinc/34/63/36/1246346336.db2.gz UXJHLJWURXBMBS-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000940596687 1246346345 /nfs/dbraw/zinc/34/63/45/1246346345.db2.gz UXJHLJWURXBMBS-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000940596687 1246346351 /nfs/dbraw/zinc/34/63/51/1246346351.db2.gz UXJHLJWURXBMBS-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@@H]1c1ccc(F)cc1 ZINC001327830500 1265437917 /nfs/dbraw/zinc/43/79/17/1265437917.db2.gz RIXUGHSAHIQIRB-FPCVCCKLSA-N 2 1 366.412 0.585 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC001328769874 1265609493 /nfs/dbraw/zinc/60/94/93/1265609493.db2.gz FVJSGHKOJUNBHH-OSGAYYLLSA-N 2 1 374.529 0.953 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001329614917 1265792624 /nfs/dbraw/zinc/79/26/24/1265792624.db2.gz ZOECPQALTFOKNT-IRXDYDNUSA-N 2 1 366.506 0.156 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCCOC1 ZINC001329811024 1265858220 /nfs/dbraw/zinc/85/82/20/1265858220.db2.gz PJYYEIQRYFNQHG-NVXWUHKLSA-N 2 1 366.506 0.299 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCCOC1 ZINC001329811024 1265858235 /nfs/dbraw/zinc/85/82/35/1265858235.db2.gz PJYYEIQRYFNQHG-NVXWUHKLSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC001329990777 1265917318 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/nfs/dbraw/zinc/20/58/59/1270205859.db2.gz GKKUXXYZQCSUBY-SJORKVTESA-N 2 1 368.522 0.404 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001573060559 1270581239 /nfs/dbraw/zinc/58/12/39/1270581239.db2.gz AXMAYLLPVJNNGU-GVDBMIGSSA-N 2 1 362.518 0.729 10 0 FCAEMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001573061559 1270582336 /nfs/dbraw/zinc/58/23/36/1270582336.db2.gz XXWRPQZFXFNPJF-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001574305193 1271181432 /nfs/dbraw/zinc/18/14/32/1271181432.db2.gz KJQHLVCTZYTRKL-IKGGRYGDSA-N 2 1 364.490 0.053 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574483012 1271290793 /nfs/dbraw/zinc/29/07/93/1271290793.db2.gz RDYRTZMSLIIPER-TVFCKZIOSA-N 2 1 362.518 0.917 10 0 FCAEMP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001577090319 1274149178 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/nfs/dbraw/zinc/27/25/85/1287272585.db2.gz UNNCKHIYIRZBGA-RBSFLKMASA-N 2 1 363.462 0.924 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001713310707 1287272955 /nfs/dbraw/zinc/27/29/55/1287272955.db2.gz AEMJTCSFBOUDRY-YNEHKIRRSA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001713310707 1287272956 /nfs/dbraw/zinc/27/29/56/1287272956.db2.gz AEMJTCSFBOUDRY-YNEHKIRRSA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001713262835 1287273010 /nfs/dbraw/zinc/27/30/10/1287273010.db2.gz UNNCKHIYIRZBGA-QLFBSQMISA-N 2 1 363.462 0.924 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001714066759 1287312135 /nfs/dbraw/zinc/31/21/35/1287312135.db2.gz MWTGIMCTKCYCDP-IXDOHACOSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]Cc2ncnn2CCF)C2CC2)CC[N@H+]1C ZINC001714162254 1287314538 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/nfs/dbraw/zinc/38/07/00/1287380700.db2.gz URTZTVBBVBHJMF-GZBFAFLISA-N 2 1 351.447 0.925 10 0 FCAEMP COc1coc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001716480473 1287380706 /nfs/dbraw/zinc/38/07/06/1287380706.db2.gz URTZTVBBVBHJMF-GZBFAFLISA-N 2 1 351.447 0.925 10 0 FCAEMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(C)(C)C ZINC001717050748 1287404820 /nfs/dbraw/zinc/40/48/20/1287404820.db2.gz HCZRRRQWFZMEDT-RRFJBIMHSA-N 2 1 356.511 0.040 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)NC(C)(C)C)CC[N@H+]1C ZINC001717050656 1287405743 /nfs/dbraw/zinc/40/57/43/1287405743.db2.gz CVWTUFRLHSCFST-OWCLPIDISA-N 2 1 370.538 0.430 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1C ZINC001717051029 1287406732 /nfs/dbraw/zinc/40/67/32/1287406732.db2.gz QXENJDIPKBFVTP-CRAIPNDOSA-N 2 1 363.506 0.470 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1C ZINC001717051029 1287406736 /nfs/dbraw/zinc/40/67/36/1287406736.db2.gz QXENJDIPKBFVTP-CRAIPNDOSA-N 2 1 363.506 0.470 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001717384463 1287421664 /nfs/dbraw/zinc/42/16/64/1287421664.db2.gz NHWVCOXRVBHKAH-XSCHDIRWSA-N 2 1 363.462 0.746 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001718569309 1287520243 /nfs/dbraw/zinc/52/02/43/1287520243.db2.gz HDDXLGPMBKRNRG-HRCADAONSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001632635350 1282194138 /nfs/dbraw/zinc/19/41/38/1282194138.db2.gz PXKAXCBQOGVBEB-UONOGXRCSA-N 2 1 360.499 0.260 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001632635350 1282194143 /nfs/dbraw/zinc/19/41/43/1282194143.db2.gz PXKAXCBQOGVBEB-UONOGXRCSA-N 2 1 360.499 0.260 10 0 FCAEMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001585901740 1282253900 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ODQJFKGDZLJHRQ-CVEARBPZSA-N 2 1 359.536 0.543 10 0 FCAEMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001264094908 859309441 /nfs/dbraw/zinc/30/94/41/859309441.db2.gz WEJJFAJNDDYUOU-SQNIBIBYSA-N 2 1 353.507 0.914 10 0 FCAEMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001264094908 859309445 /nfs/dbraw/zinc/30/94/45/859309445.db2.gz WEJJFAJNDDYUOU-SQNIBIBYSA-N 2 1 353.507 0.914 10 0 FCAEMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001264094908 859309451 /nfs/dbraw/zinc/30/94/51/859309451.db2.gz WEJJFAJNDDYUOU-SQNIBIBYSA-N 2 1 353.507 0.914 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001264716406 859435868 /nfs/dbraw/zinc/43/58/68/859435868.db2.gz ILHOMLBHQJDLOV-OAGGEKHMSA-N 2 1 350.507 0.824 10 0 FCAEMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264728353 859443290 /nfs/dbraw/zinc/44/32/90/859443290.db2.gz JDDCMBDBVKXGNG-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264728353 859443293 /nfs/dbraw/zinc/44/32/93/859443293.db2.gz JDDCMBDBVKXGNG-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001265162562 859453646 /nfs/dbraw/zinc/45/36/46/859453646.db2.gz FRVWIOKPJTUNNL-RHSMWYFYSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](CC(=O)N(C)C2CC2)C2CC2)CC[NH+]1C ZINC001265162562 859453654 /nfs/dbraw/zinc/45/36/54/859453654.db2.gz FRVWIOKPJTUNNL-RHSMWYFYSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](CC(=O)N(C)C2CC2)C2CC2)CC[NH+]1C ZINC001265162562 859453661 /nfs/dbraw/zinc/45/36/61/859453661.db2.gz FRVWIOKPJTUNNL-RHSMWYFYSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(=O)c(OC)co2)CC[N@H+]1C ZINC001265777654 859465718 /nfs/dbraw/zinc/46/57/18/859465718.db2.gz RMMWCNQSUDNBMQ-VHDGCEQUSA-N 2 1 351.447 0.973 10 0 FCAEMP 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C[C@@H]1C[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1CO ZINC000190843970 209279377 /nfs/dbraw/zinc/27/93/77/209279377.db2.gz ORZZIZLONBUMLP-SJORKVTESA-N 2 1 353.507 0.698 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1CO ZINC000190843970 209279385 /nfs/dbraw/zinc/27/93/85/209279385.db2.gz ORZZIZLONBUMLP-SJORKVTESA-N 2 1 353.507 0.698 10 0 FCAEMP C[C@]1(C(N)=O)CCCC[N@H+]1CCOCC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185973459 209183201 /nfs/dbraw/zinc/18/32/01/209183201.db2.gz XYSGHLKEBBOKPG-HDICACEKSA-N 2 1 354.495 0.463 10 0 FCAEMP C[C@]1(C(N)=O)CCCC[N@@H+]1CCOCC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185973459 209183205 /nfs/dbraw/zinc/18/32/05/209183205.db2.gz XYSGHLKEBBOKPG-HDICACEKSA-N 2 1 354.495 0.463 10 0 FCAEMP C[C@]1(C(N)=O)CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185973459 209183198 /nfs/dbraw/zinc/18/31/98/209183198.db2.gz XYSGHLKEBBOKPG-HDICACEKSA-N 2 1 354.495 0.463 10 0 FCAEMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000414741535 245318388 /nfs/dbraw/zinc/31/83/88/245318388.db2.gz MOMWSWWZURHSHY-UHFFFAOYSA-N 2 1 360.433 0.964 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414926105 245332251 /nfs/dbraw/zinc/33/22/51/245332251.db2.gz JUVCJCJJAJTBPB-QGZVFWFLSA-N 2 1 360.458 0.186 10 0 FCAEMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000414926110 245335191 /nfs/dbraw/zinc/33/51/91/245335191.db2.gz JVSYPVPGQGFWKO-QGZVFWFLSA-N 2 1 362.474 0.650 10 0 FCAEMP COC[C@@H]1CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H](C)O1 ZINC000373675489 217043815 /nfs/dbraw/zinc/04/38/15/217043815.db2.gz JJSVBHOZYYQBKQ-ULQDDVLXSA-N 2 1 357.495 0.195 10 0 FCAEMP COC[C@@H]1CN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)C[C@H](C)O1 ZINC000373675489 217043816 /nfs/dbraw/zinc/04/38/16/217043816.db2.gz JJSVBHOZYYQBKQ-ULQDDVLXSA-N 2 1 357.495 0.195 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)[NH+]1CCC(C)CC1 ZINC000419157963 246024576 /nfs/dbraw/zinc/02/45/76/246024576.db2.gz MDHAIGBYTQFDIN-WMZOPIPTSA-N 2 1 373.501 0.791 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419149667 246018189 /nfs/dbraw/zinc/01/81/89/246018189.db2.gz FPNXGZKSUBUOQI-QRQLOZEOSA-N 2 1 372.513 0.781 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419225339 246063629 /nfs/dbraw/zinc/06/36/29/246063629.db2.gz CNNRDWVKDYGNAL-VNHYZAJKSA-N 2 1 364.515 0.725 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419225339 246063635 /nfs/dbraw/zinc/06/36/35/246063635.db2.gz CNNRDWVKDYGNAL-VNHYZAJKSA-N 2 1 364.515 0.725 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419226275 246065480 /nfs/dbraw/zinc/06/54/80/246065480.db2.gz DIOZKUBHOCDHBA-VKJFTORMSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419226275 246065485 /nfs/dbraw/zinc/06/54/85/246065485.db2.gz DIOZKUBHOCDHBA-VKJFTORMSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419226269 246065493 /nfs/dbraw/zinc/06/54/93/246065493.db2.gz DIOZKUBHOCDHBA-IIDMSEBBSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419226269 246065496 /nfs/dbraw/zinc/06/54/96/246065496.db2.gz DIOZKUBHOCDHBA-IIDMSEBBSA-N 2 1 358.486 0.664 10 0 FCAEMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000419229532 246066887 /nfs/dbraw/zinc/06/68/87/246066887.db2.gz HTFAIWDNKXLCKB-GOSISDBHSA-N 2 1 373.501 0.935 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000419539803 246197209 /nfs/dbraw/zinc/19/72/09/246197209.db2.gz GLENOQRRXGCZLN-ZBFHGGJFSA-N 2 1 361.490 0.647 10 0 FCAEMP CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419906895 246361575 /nfs/dbraw/zinc/36/15/75/246361575.db2.gz AWCFKHBNJUDFKB-WMZOPIPTSA-N 2 1 358.486 0.835 10 0 FCAEMP 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CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@@H](C)C1 ZINC000425384635 247329595 /nfs/dbraw/zinc/32/95/95/247329595.db2.gz KBHHPSIWYRDEFR-LUKYLMHMSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@@H](C)C1 ZINC000425384635 247329600 /nfs/dbraw/zinc/32/96/00/247329600.db2.gz KBHHPSIWYRDEFR-LUKYLMHMSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H](C)C1 ZINC000425384635 247329605 /nfs/dbraw/zinc/32/96/05/247329605.db2.gz KBHHPSIWYRDEFR-LUKYLMHMSA-N 2 1 350.507 0.728 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452394 247342049 /nfs/dbraw/zinc/34/20/49/247342049.db2.gz NRLAZEJGDSDUIG-INIZCTEOSA-N 2 1 356.511 0.849 10 0 FCAEMP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CCC[N@H+]3CCCO)n2)CC1 ZINC000452784104 249331410 /nfs/dbraw/zinc/33/14/10/249331410.db2.gz NUYYPZJVALDWMS-INIZCTEOSA-N 2 1 361.490 0.410 10 0 FCAEMP 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IQTMGORWILMVOW-QWHCGFSZSA-N 2 1 352.401 0.721 10 0 FCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000654544422 492318520 /nfs/dbraw/zinc/31/85/20/492318520.db2.gz IQTMGORWILMVOW-QWHCGFSZSA-N 2 1 352.401 0.721 10 0 FCAEMP CC[NH+](CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000654544422 492318523 /nfs/dbraw/zinc/31/85/23/492318523.db2.gz IQTMGORWILMVOW-QWHCGFSZSA-N 2 1 352.401 0.721 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627498119 492324251 /nfs/dbraw/zinc/32/42/51/492324251.db2.gz JPLUBAQXFWPUFB-RYQLBKOJSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650498 492330861 /nfs/dbraw/zinc/33/08/61/492330861.db2.gz GVBCQDQHYUJJMK-ZACQAIPSSA-N 3 1 357.543 0.619 10 0 FCAEMP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650498 492330864 /nfs/dbraw/zinc/33/08/64/492330864.db2.gz GVBCQDQHYUJJMK-ZACQAIPSSA-N 3 1 357.543 0.619 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654572 492333445 /nfs/dbraw/zinc/33/34/45/492333445.db2.gz ALUYLSDUNIZKDA-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654572 492333447 /nfs/dbraw/zinc/33/34/47/492333447.db2.gz ALUYLSDUNIZKDA-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654572 492333450 /nfs/dbraw/zinc/33/34/50/492333450.db2.gz ALUYLSDUNIZKDA-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654572 492333452 /nfs/dbraw/zinc/33/34/52/492333452.db2.gz ALUYLSDUNIZKDA-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654573 492333714 /nfs/dbraw/zinc/33/37/14/492333714.db2.gz ALUYLSDUNIZKDA-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654573 492333717 /nfs/dbraw/zinc/33/37/17/492333717.db2.gz ALUYLSDUNIZKDA-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1CCCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654573 492333721 /nfs/dbraw/zinc/33/37/21/492333721.db2.gz ALUYLSDUNIZKDA-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1CCCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654573 492333723 /nfs/dbraw/zinc/33/37/23/492333723.db2.gz ALUYLSDUNIZKDA-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP Cc1cc(N2CCC([NH2+]C[C@@H](O)CC3(O)CCOCC3)CC2)nc(C)[nH+]1 ZINC000634707237 492361397 /nfs/dbraw/zinc/36/13/97/492361397.db2.gz BZJMLAIKYDFVDP-KRWDZBQOSA-N 2 1 364.490 0.944 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000642786038 492391907 /nfs/dbraw/zinc/39/19/07/492391907.db2.gz YGUAMIFUHIWWLU-OSGAYYLLSA-N 2 1 374.529 0.857 10 0 FCAEMP 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C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2)CC1 ZINC000655297202 492428197 /nfs/dbraw/zinc/42/81/97/492428197.db2.gz GHDWYSOFZALTCN-RBUKOAKNSA-N 2 1 358.486 0.325 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915026 492488052 /nfs/dbraw/zinc/48/80/52/492488052.db2.gz KSUYIKHVLMXGCM-QWRGUYRKSA-N 2 1 353.389 0.118 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655914427 492487641 /nfs/dbraw/zinc/48/76/41/492487641.db2.gz ZCRIQTDNGQAPOO-LLVKDONJSA-N 2 1 353.389 0.166 10 0 FCAEMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000643526150 492490800 /nfs/dbraw/zinc/49/08/00/492490800.db2.gz QUQIQOGRYXCFSA-ZACQAIPSSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)CC2 ZINC000643526304 492490938 /nfs/dbraw/zinc/49/09/38/492490938.db2.gz YIETWMWPPAQSSW-TWMKSMIVSA-N 2 1 350.507 0.903 10 0 FCAEMP 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C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656086096 492546955 /nfs/dbraw/zinc/54/69/55/492546955.db2.gz QKODSKILMXRUEO-WCVJEAGWSA-N 2 1 354.495 0.153 10 0 FCAEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415205 492552457 /nfs/dbraw/zinc/55/24/57/492552457.db2.gz PFYGTMXTABYWQG-QZTJIDSGSA-N 2 1 372.517 0.979 10 0 FCAEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415207 492552771 /nfs/dbraw/zinc/55/27/71/492552771.db2.gz PFYGTMXTABYWQG-ZWKOTPCHSA-N 2 1 372.517 0.979 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000656296265 492575305 /nfs/dbraw/zinc/57/53/05/492575305.db2.gz RJZMZLRGHVSOJJ-CFVMTHIKSA-N 2 1 352.504 0.923 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2COC)c1 ZINC000649743996 492578756 /nfs/dbraw/zinc/57/87/56/492578756.db2.gz JSARCUNJYORZMY-VNTMZGSJSA-N 2 1 364.486 0.850 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334919 492598539 /nfs/dbraw/zinc/59/85/39/492598539.db2.gz UWPDWFPSTPDJDU-NPCUJANDSA-N 2 1 366.506 0.199 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334920 492598575 /nfs/dbraw/zinc/59/85/75/492598575.db2.gz UWPDWFPSTPDJDU-WVCIDPQESA-N 2 1 366.506 0.199 10 0 FCAEMP O=C(c1ccccc1)N1C[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)N2CC[C@H]1C2 ZINC000629573550 492650905 /nfs/dbraw/zinc/65/09/05/492650905.db2.gz FMEXWSKYMPHSBU-UFYCRDLUSA-N 2 1 372.513 0.632 10 0 FCAEMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629594462 492657836 /nfs/dbraw/zinc/65/78/36/492657836.db2.gz CXNKNYBOJLUFBM-GOEBONIOSA-N 2 1 355.504 0.999 10 0 FCAEMP CCNC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1OC ZINC000629655574 492661379 /nfs/dbraw/zinc/66/13/79/492661379.db2.gz VLMWKDRVJKPLHC-UHFFFAOYSA-N 2 1 351.447 0.808 10 0 FCAEMP 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ZINC000651193473 492719827 /nfs/dbraw/zinc/71/98/27/492719827.db2.gz XSSSPWMQTIGSJK-UHFFFAOYSA-N 2 1 355.527 0.770 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000651193473 492719832 /nfs/dbraw/zinc/71/98/32/492719832.db2.gz XSSSPWMQTIGSJK-UHFFFAOYSA-N 2 1 355.527 0.770 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCOC1 ZINC000651281574 492734453 /nfs/dbraw/zinc/73/44/53/492734453.db2.gz ZFWJOWLVBKNMHM-AEFFLSMTSA-N 2 1 356.511 0.585 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC000631676153 492833081 /nfs/dbraw/zinc/83/30/81/492833081.db2.gz SFRXKURIHYJMQA-HRCADAONSA-N 2 1 359.536 0.684 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000651902639 492844584 /nfs/dbraw/zinc/84/45/84/492844584.db2.gz RTUPGQOKCIOFEM-UHFFFAOYSA-N 2 1 358.446 0.722 10 0 FCAEMP CCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000658361736 492864823 /nfs/dbraw/zinc/86/48/23/492864823.db2.gz OPPISTBGMQTYOE-HNNXBMFYSA-N 2 1 362.478 0.641 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000631916840 492882887 /nfs/dbraw/zinc/88/28/87/492882887.db2.gz ASJXDGGXYMEOJI-QZTJIDSGSA-N 2 1 367.515 0.459 10 0 FCAEMP Cn1cnnc1CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638103097 492905452 /nfs/dbraw/zinc/90/54/52/492905452.db2.gz YMJSSFCRXFOMCJ-UHFFFAOYSA-N 2 1 356.474 0.857 10 0 FCAEMP COCCCS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363077 492916174 /nfs/dbraw/zinc/91/61/74/492916174.db2.gz XHWRGAILEWEIMJ-XHSDSOJGSA-N 2 1 363.524 0.303 10 0 FCAEMP C[NH+](Cc1cncc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626040201 492921513 /nfs/dbraw/zinc/92/15/13/492921513.db2.gz ZCAHYHUYLUKPFY-HMQPTBHHSA-N 2 1 359.474 0.473 10 0 FCAEMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000652468819 492942075 /nfs/dbraw/zinc/94/20/75/492942075.db2.gz SWTFKCPFJGSXDC-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000652468819 492942077 /nfs/dbraw/zinc/94/20/77/492942077.db2.gz SWTFKCPFJGSXDC-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000652468819 492942081 /nfs/dbraw/zinc/94/20/81/492942081.db2.gz SWTFKCPFJGSXDC-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000652468819 492942084 /nfs/dbraw/zinc/94/20/84/492942084.db2.gz SWTFKCPFJGSXDC-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000645622600 492945728 /nfs/dbraw/zinc/94/57/28/492945728.db2.gz LMVCEJWQXJXKSV-GDBMZVCRSA-N 2 1 374.489 0.641 10 0 FCAEMP CC[C@H](C)N[C@@H](CNS(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccco1 ZINC000632328632 492974140 /nfs/dbraw/zinc/97/41/40/492974140.db2.gz FUTUNNCIXQOTMH-KKUMJFAQSA-N 2 1 359.492 0.959 10 0 FCAEMP Cc1c[nH+]cn1C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632327032 492974305 /nfs/dbraw/zinc/97/43/05/492974305.db2.gz NLTBJBNFLXMSPG-UHFFFAOYSA-N 2 1 369.535 0.796 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652668790 492983238 /nfs/dbraw/zinc/98/32/38/492983238.db2.gz MQVBHAQJPQGEJC-XMTFNYHQSA-N 2 1 374.485 0.370 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673527 492984528 /nfs/dbraw/zinc/98/45/28/492984528.db2.gz SNUPICHVQQPWBH-KLHDSHLOSA-N 2 1 354.495 0.045 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673529 492984670 /nfs/dbraw/zinc/98/46/70/492984670.db2.gz SNUPICHVQQPWBH-ZJIFWQFVSA-N 2 1 354.495 0.045 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673528 492984934 /nfs/dbraw/zinc/98/49/34/492984934.db2.gz SNUPICHVQQPWBH-QKPAOTATSA-N 2 1 354.495 0.045 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652676957 492986592 /nfs/dbraw/zinc/98/65/92/492986592.db2.gz LNRWNDZCKLFGKT-BRWVUGGUSA-N 2 1 368.522 0.293 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652683018 492988989 /nfs/dbraw/zinc/98/89/89/492988989.db2.gz AYIXIQWYTIYDMT-GVDBMIGSSA-N 2 1 368.522 0.437 10 0 FCAEMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009389 493000364 /nfs/dbraw/zinc/00/03/64/493000364.db2.gz GFSFQSDLJPTQMS-RCCFBDPRSA-N 2 1 352.523 0.807 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000652720579 493002410 /nfs/dbraw/zinc/00/24/10/493002410.db2.gz IDHFRKLJQPYJBT-MRXNPFEDSA-N 2 1 374.485 0.203 10 0 FCAEMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000646102912 493012979 /nfs/dbraw/zinc/01/29/79/493012979.db2.gz XJBHZGIKQUCNOH-UHFFFAOYSA-N 2 1 369.487 0.509 10 0 FCAEMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000646102912 493012982 /nfs/dbraw/zinc/01/29/82/493012982.db2.gz XJBHZGIKQUCNOH-UHFFFAOYSA-N 2 1 369.487 0.509 10 0 FCAEMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000632591576 493037811 /nfs/dbraw/zinc/03/78/11/493037811.db2.gz BEBWSZBACBRNDQ-GOSISDBHSA-N 2 1 372.579 0.950 10 0 FCAEMP CCCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658773132 493048273 /nfs/dbraw/zinc/04/82/73/493048273.db2.gz XAFLNDDPVANLDM-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658803192 493061011 /nfs/dbraw/zinc/06/10/11/493061011.db2.gz NVKLHIFKELBXAC-JKSUJKDBSA-N 2 1 354.495 0.108 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000626921592 493063870 /nfs/dbraw/zinc/06/38/70/493063870.db2.gz DMHZFKRFAIBFIN-OAHLLOKOSA-N 2 1 369.535 0.572 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626937824 493067562 /nfs/dbraw/zinc/06/75/62/493067562.db2.gz VKDOYMYTUKDTBD-KDURUIRLSA-N 2 1 365.522 0.618 10 0 FCAEMP 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Cc1cc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cn2cc[nH+]c12 ZINC000658905102 493107879 /nfs/dbraw/zinc/10/78/79/493107879.db2.gz XMCZHCHNUISNFD-INIZCTEOSA-N 2 1 371.441 0.639 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC000658926459 493111942 /nfs/dbraw/zinc/11/19/42/493111942.db2.gz CCBCWYAZJDNKMR-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000646915800 493125625 /nfs/dbraw/zinc/12/56/25/493125625.db2.gz VHUYCLMIOFMHOL-QKPAOTATSA-N 2 1 372.469 0.832 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5C[N@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000646915800 493125629 /nfs/dbraw/zinc/12/56/29/493125629.db2.gz VHUYCLMIOFMHOL-QKPAOTATSA-N 2 1 372.469 0.832 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000646915800 493125631 /nfs/dbraw/zinc/12/56/31/493125631.db2.gz VHUYCLMIOFMHOL-QKPAOTATSA-N 2 1 372.469 0.832 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000627286981 493133396 /nfs/dbraw/zinc/13/33/96/493133396.db2.gz GBCRDEICJSRAFL-PXNSSMCTSA-N 2 1 374.485 0.262 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627292392 493136748 /nfs/dbraw/zinc/13/67/48/493136748.db2.gz UAMLVKUGKPGMJK-MRXNPFEDSA-N 2 1 360.458 0.001 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000627297698 493140677 /nfs/dbraw/zinc/14/06/77/493140677.db2.gz QWWBHDMVSOEXSZ-DLBZAZTESA-N 2 1 362.474 0.242 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000627301655 493141331 /nfs/dbraw/zinc/14/13/31/493141331.db2.gz KUGANYWNWGKTJK-MAUKXSAKSA-N 2 1 374.485 0.392 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079283 493143395 /nfs/dbraw/zinc/14/33/95/493143395.db2.gz MMDJWQBYZDHVOQ-IAGOWNOFSA-N 2 1 360.458 0.887 10 0 FCAEMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659084463 493145735 /nfs/dbraw/zinc/14/57/35/493145735.db2.gz ZMUJDZFZQACQPF-IAGOWNOFSA-N 2 1 360.458 0.839 10 0 FCAEMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659084463 493145740 /nfs/dbraw/zinc/14/57/40/493145740.db2.gz ZMUJDZFZQACQPF-IAGOWNOFSA-N 2 1 360.458 0.839 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000627311797 493145848 /nfs/dbraw/zinc/14/58/48/493145848.db2.gz HUWSFUYAJACPCU-DOTOQJQBSA-N 2 1 362.474 0.290 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000627313688 493147817 /nfs/dbraw/zinc/14/78/17/493147817.db2.gz KQRAQUSVXSMXBQ-MWDXBVQZSA-N 2 1 368.522 0.496 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@@H+](C)C1 ZINC000647025806 493147921 /nfs/dbraw/zinc/14/79/21/493147921.db2.gz SBCRLFMHRURQIE-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH+](C)C1 ZINC000647025806 493147923 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2 1 354.495 0.381 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334450 493158997 /nfs/dbraw/zinc/15/89/97/493158997.db2.gz RAKSHFADOPVFCM-QGZVFWFLSA-N 2 1 368.522 0.594 10 0 FCAEMP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627337023 493159900 /nfs/dbraw/zinc/15/99/00/493159900.db2.gz QOWGUBJWAMJZSP-KRWDZBQOSA-N 2 1 362.474 0.249 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000627339222 493161526 /nfs/dbraw/zinc/16/15/26/493161526.db2.gz COBICBKMELFZRV-SGMGOOAPSA-N 2 1 350.488 0.478 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000627339222 493161531 /nfs/dbraw/zinc/16/15/31/493161531.db2.gz COBICBKMELFZRV-SGMGOOAPSA-N 2 1 350.488 0.478 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC000633614035 493172211 /nfs/dbraw/zinc/17/22/11/493172211.db2.gz LSLHDURIWYYZKB-GUYCJALGSA-N 2 1 351.447 0.920 10 0 FCAEMP 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ZINC000654012732 493202813 /nfs/dbraw/zinc/20/28/13/493202813.db2.gz BUBDNRLSHUKVLN-LSDHHAIUSA-N 2 1 361.446 0.130 10 0 FCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581495 493216106 /nfs/dbraw/zinc/21/61/06/493216106.db2.gz NNGPBZWLOBXNLA-BMGDILEWSA-N 2 1 364.465 0.979 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581495 493216109 /nfs/dbraw/zinc/21/61/09/493216109.db2.gz NNGPBZWLOBXNLA-BMGDILEWSA-N 2 1 364.465 0.979 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659627767 493223025 /nfs/dbraw/zinc/22/30/25/493223025.db2.gz XTZZQATVTLFWMU-SFHVURJKSA-N 2 1 373.501 0.186 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000659627767 493223027 /nfs/dbraw/zinc/22/30/27/493223027.db2.gz XTZZQATVTLFWMU-SFHVURJKSA-N 2 1 373.501 0.186 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659696748 493258447 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CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CCC[NH+](C)C ZINC001489989411 1209198119 /nfs/dbraw/zinc/19/81/19/1209198119.db2.gz BQIUMOXINAQMJV-XHSDSOJGSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CCC[NH+](C)C ZINC001489989411 1209198120 /nfs/dbraw/zinc/19/81/20/1209198120.db2.gz BQIUMOXINAQMJV-XHSDSOJGSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1 ZINC001490365221 1209338545 /nfs/dbraw/zinc/33/85/45/1209338545.db2.gz BNDUYNQECAWXFK-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1 ZINC001490365223 1209338768 /nfs/dbraw/zinc/33/87/68/1209338768.db2.gz BNDUYNQECAWXFK-GVDBMIGSSA-N 2 1 352.523 0.881 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCOCC(F)F)CC2)CC[N@@H+]1C ZINC001490492627 1209360042 /nfs/dbraw/zinc/36/00/42/1209360042.db2.gz OQIWKPSXXMHWBN-HUUCEWRRSA-N 2 1 362.465 0.342 10 0 FCAEMP 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O=C1OC[C@@H]2C[NH+](Cc3ccc(C[N@H+]4C[C@@H]5COC(=O)[C@@H]5C4)cc3)C[C@H]12 ZINC000860161365 1209841515 /nfs/dbraw/zinc/84/15/15/1209841515.db2.gz XAVUPVQCAFUJGV-USTZCAOPSA-N 2 1 356.422 0.896 10 0 FCAEMP Cc1cccc(CNC(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549269 1209944504 /nfs/dbraw/zinc/94/45/04/1209944504.db2.gz GEDMOHYOLYZRPF-MSOLQXFVSA-N 2 1 372.469 0.868 10 0 FCAEMP COc1ccc([C@H](C[NH3+])CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863546374 1209944653 /nfs/dbraw/zinc/94/46/53/1209944653.db2.gz CEWLXXFNMKPINK-LZQZEXGQSA-N 2 1 374.485 0.995 10 0 FCAEMP Cc1ccc2nc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc(=O)n2c1 ZINC000866707657 1210002013 /nfs/dbraw/zinc/00/20/13/1210002013.db2.gz JBPYZBZALFREOO-XHSDSOJGSA-N 2 1 369.425 0.370 10 0 FCAEMP Cc1ccc2nc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cc(=O)n2c1 ZINC000866707657 1210002018 /nfs/dbraw/zinc/00/20/18/1210002018.db2.gz JBPYZBZALFREOO-XHSDSOJGSA-N 2 1 369.425 0.370 10 0 FCAEMP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706881 1210002425 /nfs/dbraw/zinc/00/24/25/1210002425.db2.gz CORMMOYQVJWWLW-SPUZQDLCSA-N 2 1 372.469 0.601 10 0 FCAEMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706881 1210002426 /nfs/dbraw/zinc/00/24/26/1210002426.db2.gz CORMMOYQVJWWLW-SPUZQDLCSA-N 2 1 372.469 0.601 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000866708467 1210002898 /nfs/dbraw/zinc/00/28/98/1210002898.db2.gz FQTMQSJCUFWRPA-RRQGHBQHSA-N 2 1 369.425 0.263 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000866708467 1210002900 /nfs/dbraw/zinc/00/29/00/1210002900.db2.gz FQTMQSJCUFWRPA-RRQGHBQHSA-N 2 1 369.425 0.263 10 0 FCAEMP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709113 1210003284 /nfs/dbraw/zinc/00/32/84/1210003284.db2.gz PYDRPPAPDNPICV-ZACQAIPSSA-N 2 1 358.442 0.478 10 0 FCAEMP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709113 1210003289 /nfs/dbraw/zinc/00/32/89/1210003289.db2.gz PYDRPPAPDNPICV-ZACQAIPSSA-N 2 1 358.442 0.478 10 0 FCAEMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867742245 1210027753 /nfs/dbraw/zinc/02/77/53/1210027753.db2.gz FKURHNXATMGYDK-UHFFFAOYSA-N 2 1 367.538 0.025 10 0 FCAEMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867742245 1210027757 /nfs/dbraw/zinc/02/77/57/1210027757.db2.gz FKURHNXATMGYDK-UHFFFAOYSA-N 2 1 367.538 0.025 10 0 FCAEMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867742245 1210027761 /nfs/dbraw/zinc/02/77/61/1210027761.db2.gz FKURHNXATMGYDK-UHFFFAOYSA-N 2 1 367.538 0.025 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C[NH+]1CCOCC1 ZINC000868230468 1210045339 /nfs/dbraw/zinc/04/53/39/1210045339.db2.gz CUAKNBZRZYEJPK-RRQGHBQHSA-N 2 1 360.458 0.524 10 0 FCAEMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000868261846 1210047930 /nfs/dbraw/zinc/04/79/30/1210047930.db2.gz VDJPMLAZBLWSMU-INIZCTEOSA-N 2 1 360.458 0.232 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868411194 1210063496 /nfs/dbraw/zinc/06/34/96/1210063496.db2.gz UKZVBOVJLRPUDP-RCCFBDPRSA-N 2 1 362.518 0.777 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)c1 ZINC000868420853 1210065457 /nfs/dbraw/zinc/06/54/57/1210065457.db2.gz DLBYSZDDVLIZFK-HOTGVXAUSA-N 2 1 357.458 0.392 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC[C@H]21 ZINC000868644917 1210070769 /nfs/dbraw/zinc/07/07/69/1210070769.db2.gz NHSCIUFJYHWWRK-IAGOWNOFSA-N 2 1 365.522 0.714 10 0 FCAEMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC000872186273 1210174785 /nfs/dbraw/zinc/17/47/85/1210174785.db2.gz JUZIIKZOXMJFJG-GHTZIAJQSA-N 2 1 370.497 0.789 10 0 FCAEMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872190077 1210175938 /nfs/dbraw/zinc/17/59/38/1210175938.db2.gz RBPXDSVVPCNDEP-INIZCTEOSA-N 2 1 368.522 0.676 10 0 FCAEMP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)nn1C ZINC001273975097 1210611251 /nfs/dbraw/zinc/61/12/51/1210611251.db2.gz NNDJPRPTCKEQED-NVXWUHKLSA-N 2 1 363.506 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+][C@H](C)C(=O)N(C)C)CCOCC2)CC[N@H+]1C ZINC001273975359 1210659218 /nfs/dbraw/zinc/65/92/18/1210659218.db2.gz QNGRRJFYNIZQGN-OWCLPIDISA-N 2 1 368.522 0.448 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+][C@@H](C)C(=O)N(C)C)CCOCC2)CC[N@H+]1C ZINC001273975353 1210660312 /nfs/dbraw/zinc/66/03/12/1210660312.db2.gz QNGRRJFYNIZQGN-HRCADAONSA-N 2 1 368.522 0.448 10 0 FCAEMP CCn1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1 ZINC001274521583 1211071939 /nfs/dbraw/zinc/07/19/39/1211071939.db2.gz WDQNOKBGINGQJK-GDBMZVCRSA-N 2 1 364.494 0.081 10 0 FCAEMP C[C@H](C[NH2+]CCCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274759394 1211117038 /nfs/dbraw/zinc/11/70/38/1211117038.db2.gz ACAHTWPLKFQBND-MGPQQGTHSA-N 2 1 367.494 0.141 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001274910487 1211143167 /nfs/dbraw/zinc/14/31/67/1211143167.db2.gz MIUPYSGFOFZJAQ-NVXWUHKLSA-N 2 1 363.506 0.246 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nc(-c2ccncn2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275157908 1211183795 /nfs/dbraw/zinc/18/37/95/1211183795.db2.gz XZZDJUNPTHFADZ-YNEHKIRRSA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nc(-c2ccncn2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275157908 1211183797 /nfs/dbraw/zinc/18/37/97/1211183797.db2.gz XZZDJUNPTHFADZ-YNEHKIRRSA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001275835744 1211294759 /nfs/dbraw/zinc/29/47/59/1211294759.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 1 360.462 0.299 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001275835744 1211294763 /nfs/dbraw/zinc/29/47/63/1211294763.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 1 360.462 0.299 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001275835744 1211294767 /nfs/dbraw/zinc/29/47/67/1211294767.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 1 360.462 0.299 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001275835744 1211294770 /nfs/dbraw/zinc/29/47/70/1211294770.db2.gz OMVASAOILJABQJ-GZBFAFLISA-N 2 1 360.462 0.299 10 0 FCAEMP CNC(=O)[C@@H](C)[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001276164361 1211368879 /nfs/dbraw/zinc/36/88/79/1211368879.db2.gz IVFWAUXHRMLZHX-BFYDXBDKSA-N 2 1 368.522 0.448 10 0 FCAEMP C[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001490827647 1211446243 /nfs/dbraw/zinc/44/62/43/1211446243.db2.gz OAUXPOFAGLFUBI-XPKDYRNWSA-N 2 1 363.462 0.550 10 0 FCAEMP O=C(CNC(=O)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000925842434 1211508926 /nfs/dbraw/zinc/50/89/26/1211508926.db2.gz WZQOPWQDZAMMIU-RCCFBDPRSA-N 2 1 374.485 0.166 10 0 FCAEMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925841729 1211508930 /nfs/dbraw/zinc/50/89/30/1211508930.db2.gz SLJQFPOEWKVFKA-USXIJHARSA-N 2 1 362.474 0.103 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926308011 1211528786 /nfs/dbraw/zinc/52/87/86/1211528786.db2.gz LBXZVQTUGSBOFP-CVEARBPZSA-N 2 1 366.506 0.143 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000926359979 1211538857 /nfs/dbraw/zinc/53/88/57/1211538857.db2.gz FILAZZTXVIJEAD-YESZJQIVSA-N 2 1 368.522 0.389 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC[N@H+]1CCOC ZINC000926359979 1211538861 /nfs/dbraw/zinc/53/88/61/1211538861.db2.gz FILAZZTXVIJEAD-YESZJQIVSA-N 2 1 368.522 0.389 10 0 FCAEMP COc1cncc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000927833409 1211584041 /nfs/dbraw/zinc/58/40/41/1211584041.db2.gz UWNOFWWQNGHJKE-IYBDPMFKSA-N 2 1 373.457 0.456 10 0 FCAEMP COc1cncc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000927833409 1211584043 /nfs/dbraw/zinc/58/40/43/1211584043.db2.gz UWNOFWWQNGHJKE-IYBDPMFKSA-N 2 1 373.457 0.456 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000927857581 1211586050 /nfs/dbraw/zinc/58/60/50/1211586050.db2.gz KDYQEORVYDOUJK-DLBZAZTESA-N 2 1 374.510 0.967 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000927857581 1211586052 /nfs/dbraw/zinc/58/60/52/1211586052.db2.gz KDYQEORVYDOUJK-DLBZAZTESA-N 2 1 374.510 0.967 10 0 FCAEMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927928438 1211593406 /nfs/dbraw/zinc/59/34/06/1211593406.db2.gz NPIGYEGUQGWCEA-GOSISDBHSA-N 2 1 354.414 0.950 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429508 1211601791 /nfs/dbraw/zinc/60/17/91/1211601791.db2.gz WVXGTBNXAJUGBV-XOUADPBQSA-N 2 1 361.490 0.588 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)Cc2[nH]ccc2C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429508 1211601797 /nfs/dbraw/zinc/60/17/97/1211601797.db2.gz WVXGTBNXAJUGBV-XOUADPBQSA-N 2 1 361.490 0.588 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)Cc2[nH]ccc2C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429508 1211601799 /nfs/dbraw/zinc/60/17/99/1211601799.db2.gz WVXGTBNXAJUGBV-XOUADPBQSA-N 2 1 361.490 0.588 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929186364 1211621214 /nfs/dbraw/zinc/62/12/14/1211621214.db2.gz QQBARTRGEPLLFK-WAOWUJCRSA-N 2 1 372.513 0.686 10 0 FCAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000929402256 1211636197 /nfs/dbraw/zinc/63/61/97/1211636197.db2.gz GQASKKXGMZMOCX-DOTOQJQBSA-N 2 1 366.506 0.347 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929405214 1211636948 /nfs/dbraw/zinc/63/69/48/1211636948.db2.gz RHWGAGWVMDBOCN-BRWVUGGUSA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929405215 1211637096 /nfs/dbraw/zinc/63/70/96/1211637096.db2.gz RHWGAGWVMDBOCN-IKGGRYGDSA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000929658601 1211653101 /nfs/dbraw/zinc/65/31/01/1211653101.db2.gz BRMYGOAZYXSQRB-MSOLQXFVSA-N 2 1 358.486 0.978 10 0 FCAEMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000929658601 1211653103 /nfs/dbraw/zinc/65/31/03/1211653103.db2.gz BRMYGOAZYXSQRB-MSOLQXFVSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000929658601 1211653108 /nfs/dbraw/zinc/65/31/08/1211653108.db2.gz BRMYGOAZYXSQRB-MSOLQXFVSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000929658601 1211653112 /nfs/dbraw/zinc/65/31/12/1211653112.db2.gz BRMYGOAZYXSQRB-MSOLQXFVSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000930491541 1211709695 /nfs/dbraw/zinc/70/96/95/1211709695.db2.gz RYPQGRKBQPRWMR-FHLIZLRMSA-N 2 1 373.501 0.790 10 0 FCAEMP CN1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+](C)CC1 ZINC000931125574 1211740837 /nfs/dbraw/zinc/74/08/37/1211740837.db2.gz IAEUXZPNVMKFGM-UHFFFAOYSA-N 2 1 363.510 0.861 10 0 FCAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931400348 1211752903 /nfs/dbraw/zinc/75/29/03/1211752903.db2.gz XKFMAMWHSICIBE-FQEVSTJZSA-N 2 1 374.529 0.684 10 0 FCAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931400348 1211752906 /nfs/dbraw/zinc/75/29/06/1211752906.db2.gz XKFMAMWHSICIBE-FQEVSTJZSA-N 2 1 374.529 0.684 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000931610461 1211763470 /nfs/dbraw/zinc/76/34/70/1211763470.db2.gz DPXLVFSGSHFJPQ-YOEHRIQHSA-N 2 1 361.490 0.953 10 0 FCAEMP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000900158117 1217965072 /nfs/dbraw/zinc/96/50/72/1217965072.db2.gz SNVHEBURMWCAGK-FQEVSTJZSA-N 2 1 360.502 0.772 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000900158117 1217965075 /nfs/dbraw/zinc/96/50/75/1217965075.db2.gz SNVHEBURMWCAGK-FQEVSTJZSA-N 2 1 360.502 0.772 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900685107 1218023890 /nfs/dbraw/zinc/02/38/90/1218023890.db2.gz LTRHSCAANVECNU-LJQANCHMSA-N 2 1 368.522 0.236 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900685107 1218023891 /nfs/dbraw/zinc/02/38/91/1218023891.db2.gz LTRHSCAANVECNU-LJQANCHMSA-N 2 1 368.522 0.236 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685107 1218023894 /nfs/dbraw/zinc/02/38/94/1218023894.db2.gz LTRHSCAANVECNU-LJQANCHMSA-N 2 1 368.522 0.236 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900685107 1218023896 /nfs/dbraw/zinc/02/38/96/1218023896.db2.gz LTRHSCAANVECNU-LJQANCHMSA-N 2 1 368.522 0.236 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCN(c3cc(C)nn3C)C1=O)C2 ZINC000903492940 1218427143 /nfs/dbraw/zinc/42/71/43/1218427143.db2.gz MEBDRDHUBIUQRI-AHXJXLJNSA-N 2 1 361.446 0.046 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000903492372 1218427156 /nfs/dbraw/zinc/42/71/56/1218427156.db2.gz OGSVKAIDQNQULB-IYOUNJFTSA-N 2 1 356.430 0.417 10 0 FCAEMP CN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903719498 1218506261 /nfs/dbraw/zinc/50/62/61/1218506261.db2.gz MMLOFUVWJUKZEU-BBWFWOEESA-N 2 1 364.490 0.051 10 0 FCAEMP CN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903719498 1218506269 /nfs/dbraw/zinc/50/62/69/1218506269.db2.gz MMLOFUVWJUKZEU-BBWFWOEESA-N 2 1 364.490 0.051 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCCO1 ZINC000903737043 1218511103 /nfs/dbraw/zinc/51/11/03/1218511103.db2.gz IXZSYWCXQNFZNN-OIISXLGYSA-N 2 1 364.490 0.051 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCCO1 ZINC000903737043 1218511110 /nfs/dbraw/zinc/51/11/10/1218511110.db2.gz IXZSYWCXQNFZNN-OIISXLGYSA-N 2 1 364.490 0.051 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903748123 1218514325 /nfs/dbraw/zinc/51/43/25/1218514325.db2.gz YSYJHJKVOCICSQ-MRXNPFEDSA-N 2 1 360.458 0.956 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903750552 1218516072 /nfs/dbraw/zinc/51/60/72/1218516072.db2.gz NJEJFNMMJAUXGD-DLBZAZTESA-N 2 1 358.486 0.915 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC[C@H](C2CC2)C1 ZINC000903754874 1218516307 /nfs/dbraw/zinc/51/63/07/1218516307.db2.gz TXOLVPLXRLBRIO-RYQLBKOJSA-N 2 1 360.502 0.672 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC[C@H](C2CC2)C1 ZINC000903754874 1218516313 /nfs/dbraw/zinc/51/63/13/1218516313.db2.gz TXOLVPLXRLBRIO-RYQLBKOJSA-N 2 1 360.502 0.672 10 0 FCAEMP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)C2=O)n1 ZINC000903926856 1218566173 /nfs/dbraw/zinc/56/61/73/1218566173.db2.gz VCCXRVXRKULTFK-DZGCQCFKSA-N 2 1 358.450 0.221 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)CC[N@H+]1C ZINC001491058991 1220079714 /nfs/dbraw/zinc/07/97/14/1220079714.db2.gz RWCAQNWBKAEVFS-ITFIPKOWSA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001491457519 1220140191 /nfs/dbraw/zinc/14/01/91/1220140191.db2.gz RDPAIKJOKRNMNW-HBNTYKKESA-N 2 1 363.388 0.170 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001491457519 1220140200 /nfs/dbraw/zinc/14/02/00/1220140200.db2.gz RDPAIKJOKRNMNW-HBNTYKKESA-N 2 1 363.388 0.170 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001118035821 1221693293 /nfs/dbraw/zinc/69/32/93/1221693293.db2.gz VILNMBXJZOPKBM-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001118035821 1221693298 /nfs/dbraw/zinc/69/32/98/1221693298.db2.gz VILNMBXJZOPKBM-IRXDYDNUSA-N 2 1 362.449 0.898 10 0 FCAEMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130233 1221716756 /nfs/dbraw/zinc/71/67/56/1221716756.db2.gz SSCKKUYTOFSKTG-INIZCTEOSA-N 2 1 366.506 0.204 10 0 FCAEMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130233 1221716760 /nfs/dbraw/zinc/71/67/60/1221716760.db2.gz SSCKKUYTOFSKTG-INIZCTEOSA-N 2 1 366.506 0.204 10 0 FCAEMP CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCCOC1 ZINC001118323532 1221759801 /nfs/dbraw/zinc/75/98/01/1221759801.db2.gz CMORWMHUHCSHPG-KRWDZBQOSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCCOC1 ZINC001118323532 1221759805 /nfs/dbraw/zinc/75/98/05/1221759805.db2.gz CMORWMHUHCSHPG-KRWDZBQOSA-N 2 1 368.522 0.498 10 0 FCAEMP C[NH+]1CCN(c2ccccc2CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001119594315 1221938910 /nfs/dbraw/zinc/93/89/10/1221938910.db2.gz RAOJQKASRSIQFZ-FQEVSTJZSA-N 2 1 360.502 0.901 10 0 FCAEMP O=C(NCc1ccn2ccnc2c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119726745 1221958228 /nfs/dbraw/zinc/95/82/28/1221958228.db2.gz YGNLMARZJXRZDX-CVEARBPZSA-N 2 1 371.441 0.008 10 0 FCAEMP O=C(NCc1ccn2ccnc2c1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001119726745 1221958234 /nfs/dbraw/zinc/95/82/34/1221958234.db2.gz YGNLMARZJXRZDX-CVEARBPZSA-N 2 1 371.441 0.008 10 0 FCAEMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163072 1222487403 /nfs/dbraw/zinc/48/74/03/1222487403.db2.gz ALBSCVRBIUNOMR-IPMKNSEASA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163072 1222487405 /nfs/dbraw/zinc/48/74/05/1222487405.db2.gz ALBSCVRBIUNOMR-IPMKNSEASA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC001138163072 1222487409 /nfs/dbraw/zinc/48/74/09/1222487409.db2.gz ALBSCVRBIUNOMR-IPMKNSEASA-N 2 1 361.486 0.715 10 0 FCAEMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586849 1223577992 /nfs/dbraw/zinc/57/79/92/1223577992.db2.gz QOFVUPOWZOMROG-DJIMGWMZSA-N 2 1 368.522 0.306 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586849 1223577994 /nfs/dbraw/zinc/57/79/94/1223577994.db2.gz QOFVUPOWZOMROG-DJIMGWMZSA-N 2 1 368.522 0.306 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586849 1223577996 /nfs/dbraw/zinc/57/79/96/1223577996.db2.gz QOFVUPOWZOMROG-DJIMGWMZSA-N 2 1 368.522 0.306 10 0 FCAEMP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000847105327 1245329909 /nfs/dbraw/zinc/32/99/09/1245329909.db2.gz VKNUJDPBRZXVSO-JKSUJKDBSA-N 2 1 359.474 0.721 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000849513233 1245398009 /nfs/dbraw/zinc/39/80/09/1245398009.db2.gz RAQKUCUFWWJNGZ-CVEARBPZSA-N 2 1 359.478 0.852 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550097 1245400674 /nfs/dbraw/zinc/40/06/74/1245400674.db2.gz BVISJZROCRDFCS-NXHRZFHOSA-N 2 1 363.506 0.540 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550097 1245400679 /nfs/dbraw/zinc/40/06/79/1245400679.db2.gz BVISJZROCRDFCS-NXHRZFHOSA-N 2 1 363.506 0.540 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)cn1 ZINC000849567254 1245401903 /nfs/dbraw/zinc/40/19/03/1245401903.db2.gz HASWGXIBHTTWAN-DLBZAZTESA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)cn1 ZINC000849567254 1245401904 /nfs/dbraw/zinc/40/19/04/1245401904.db2.gz HASWGXIBHTTWAN-DLBZAZTESA-N 2 1 363.506 0.371 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849568019 1245401943 /nfs/dbraw/zinc/40/19/43/1245401943.db2.gz LRUATJWLIQPCEJ-LNLFQRSKSA-N 2 1 365.522 0.663 10 0 FCAEMP CC(C)[N@H+]1CC[C@@H](C(=O)NCCOCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849578842 1245403152 /nfs/dbraw/zinc/40/31/52/1245403152.db2.gz XZGZYRCLFKVKCP-MSOLQXFVSA-N 2 1 365.522 0.928 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000897480603 1245472865 /nfs/dbraw/zinc/47/28/65/1245472865.db2.gz DKLOSGQUWJWCJD-JFIYKMOQSA-N 2 1 371.485 0.862 10 0 FCAEMP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000919297521 1245602702 /nfs/dbraw/zinc/60/27/02/1245602702.db2.gz NDLFZYYKZSHSTM-IKGGRYGDSA-N 2 1 360.506 0.984 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000919297521 1245602714 /nfs/dbraw/zinc/60/27/14/1245602714.db2.gz NDLFZYYKZSHSTM-IKGGRYGDSA-N 2 1 360.506 0.984 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000919297521 1245602723 /nfs/dbraw/zinc/60/27/23/1245602723.db2.gz NDLFZYYKZSHSTM-IKGGRYGDSA-N 2 1 360.506 0.984 10 0 FCAEMP c1ccc(-n2nnnc2CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923323764 1245709163 /nfs/dbraw/zinc/70/91/63/1245709163.db2.gz MMXZTCHVSPNBKT-KRWDZBQOSA-N 2 1 369.473 0.158 10 0 FCAEMP O=C1[C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000923385410 1245715459 /nfs/dbraw/zinc/71/54/59/1245715459.db2.gz CCHURUPBBUGJCJ-YESZJQIVSA-N 2 1 355.438 0.482 10 0 FCAEMP O=C(CN1CCC[C@H]([NH2+]CCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000923405741 1245715918 /nfs/dbraw/zinc/71/59/18/1245715918.db2.gz IOCOGIYUYRTNTI-IBGZPJMESA-N 2 1 360.502 0.377 10 0 FCAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC000923405902 1245716566 /nfs/dbraw/zinc/71/65/66/1245716566.db2.gz BDAQNSNLKSHVGJ-HXUWFJFHSA-N 2 1 374.529 0.686 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000923462250 1245719982 /nfs/dbraw/zinc/71/99/82/1245719982.db2.gz GPKAYXZRXNZPFO-UHFFFAOYSA-N 3 1 359.518 0.393 10 0 FCAEMP CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923464290 1245721422 /nfs/dbraw/zinc/72/14/22/1245721422.db2.gz MBFYKKGLEKKNEA-INIZCTEOSA-N 2 1 362.474 0.170 10 0 FCAEMP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504700 1245724932 /nfs/dbraw/zinc/72/49/32/1245724932.db2.gz SZTWLEDYIKBMLO-LSDHHAIUSA-N 2 1 362.474 0.975 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000931013967 1245741977 /nfs/dbraw/zinc/74/19/77/1245741977.db2.gz YRNWXBRTZFFFDP-CYBMUJFWSA-N 2 1 363.462 0.586 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000931013967 1245741986 /nfs/dbraw/zinc/74/19/86/1245741986.db2.gz YRNWXBRTZFFFDP-CYBMUJFWSA-N 2 1 363.462 0.586 10 0 FCAEMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CCC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC001328424739 1265544844 /nfs/dbraw/zinc/54/48/44/1265544844.db2.gz HHEPDBYWVLLKQZ-MRXNPFEDSA-N 2 1 364.490 0.006 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC001329076778 1265687259 /nfs/dbraw/zinc/68/72/59/1265687259.db2.gz MKLCBOUCCPNKGT-WMLDXEAASA-N 2 1 366.506 0.202 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001520309311 1265904040 /nfs/dbraw/zinc/90/40/40/1265904040.db2.gz YQMSUICODQIMLZ-ZACQAIPSSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)[C@@H]1C ZINC001520939971 1266046283 /nfs/dbraw/zinc/04/62/83/1266046283.db2.gz KQQROBPJFVOPNR-VYDXJSESSA-N 2 1 361.490 0.893 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001521067921 1266072626 /nfs/dbraw/zinc/07/26/26/1266072626.db2.gz YFLYJUJOUAPLAQ-PBHICJAKSA-N 2 1 370.457 0.938 10 0 FCAEMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)C1 ZINC001521520249 1266131274 /nfs/dbraw/zinc/13/12/74/1266131274.db2.gz YGROAOIUPCTUPT-WOJBJXKFSA-N 2 1 361.486 0.837 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001522012097 1266297700 /nfs/dbraw/zinc/29/77/00/1266297700.db2.gz FDWWJOCMTOGJMT-ZACQAIPSSA-N 2 1 362.518 0.777 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001261378000 1260128598 /nfs/dbraw/zinc/12/85/98/1260128598.db2.gz LVCWIMSIGDCANT-SJORKVTESA-N 2 1 360.433 0.723 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001261378000 1260128600 /nfs/dbraw/zinc/12/86/00/1260128600.db2.gz LVCWIMSIGDCANT-SJORKVTESA-N 2 1 360.433 0.723 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001261377997 1260128685 /nfs/dbraw/zinc/12/86/85/1260128685.db2.gz LVCWIMSIGDCANT-DLBZAZTESA-N 2 1 360.433 0.723 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001261377997 1260128688 /nfs/dbraw/zinc/12/86/88/1260128688.db2.gz LVCWIMSIGDCANT-DLBZAZTESA-N 2 1 360.433 0.723 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)CC1 ZINC001261549217 1260157135 /nfs/dbraw/zinc/15/71/35/1260157135.db2.gz OHPNGZDKZZQCOA-HXUWFJFHSA-N 2 1 362.518 0.921 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCN(C)CC1 ZINC001261657625 1260174401 /nfs/dbraw/zinc/17/44/01/1260174401.db2.gz HLIOXUHBRDBRBK-WMZOPIPTSA-N 2 1 367.538 0.111 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)CN1CC[NH+](C)CC1 ZINC001261657625 1260174407 /nfs/dbraw/zinc/17/44/07/1260174407.db2.gz HLIOXUHBRDBRBK-WMZOPIPTSA-N 2 1 367.538 0.111 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)CN1CC[NH+](C)CC1 ZINC001261657625 1260174408 /nfs/dbraw/zinc/17/44/08/1260174408.db2.gz HLIOXUHBRDBRBK-WMZOPIPTSA-N 2 1 367.538 0.111 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001264490937 1260374934 /nfs/dbraw/zinc/37/49/34/1260374934.db2.gz HGUGNCOYGVFOAX-UKPHBRMFSA-N 2 1 361.490 0.981 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCc1ccnn1C ZINC001264524045 1260376510 /nfs/dbraw/zinc/37/65/10/1260376510.db2.gz IJDVOCQQWAWYJR-KBAYOESNSA-N 2 1 363.506 0.510 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001265356672 1260411624 /nfs/dbraw/zinc/41/16/24/1260411624.db2.gz PFULRSMHHOZTQS-BPLDGKMQSA-N 2 1 363.510 0.753 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C2CC2)CC[N@H+]1C ZINC001265356672 1260411626 /nfs/dbraw/zinc/41/16/26/1260411626.db2.gz PFULRSMHHOZTQS-BPLDGKMQSA-N 2 1 363.510 0.753 10 0 FCAEMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265540329 1260413940 /nfs/dbraw/zinc/41/39/40/1260413940.db2.gz NFMVNKQGGGMZAO-XPABHHOTSA-N 2 1 367.494 0.186 10 0 FCAEMP Cc1cc(C)n(CC[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001278781911 1260731569 /nfs/dbraw/zinc/73/15/69/1260731569.db2.gz OZYJKRSMBQCMQE-LMMKCTJWSA-N 2 1 363.506 0.393 10 0 FCAEMP Cc1cc(C)n(CC[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001278781911 1260731573 /nfs/dbraw/zinc/73/15/73/1260731573.db2.gz OZYJKRSMBQCMQE-LMMKCTJWSA-N 2 1 363.506 0.393 10 0 FCAEMP Cc1cc(C)n(CC[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001278781911 1260731578 /nfs/dbraw/zinc/73/15/78/1260731578.db2.gz OZYJKRSMBQCMQE-LMMKCTJWSA-N 2 1 363.506 0.393 10 0 FCAEMP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001280529463 1261066025 /nfs/dbraw/zinc/06/60/25/1261066025.db2.gz IAEJCMVHDMWQIR-ZMSDIMECSA-N 2 1 368.522 0.401 10 0 FCAEMP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)C(=O)NC1CC1 ZINC001281238437 1261095909 /nfs/dbraw/zinc/09/59/09/1261095909.db2.gz CUWDLMVXVPEZJQ-SQWLQELKSA-N 2 1 366.506 0.249 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001281849820 1261233382 /nfs/dbraw/zinc/23/33/82/1261233382.db2.gz ROCMNKJUPBMIFA-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001281849820 1261233387 /nfs/dbraw/zinc/23/33/87/1261233387.db2.gz ROCMNKJUPBMIFA-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001281849820 1261233393 /nfs/dbraw/zinc/23/33/93/1261233393.db2.gz ROCMNKJUPBMIFA-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001281898131 1261266757 /nfs/dbraw/zinc/26/67/57/1261266757.db2.gz BQJIALXGEALYHW-OAGGEKHMSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001281898131 1261266760 /nfs/dbraw/zinc/26/67/60/1261266760.db2.gz 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/nfs/dbraw/zinc/32/49/97/1267324997.db2.gz NXPMGNQKVGAKCF-FVQBIDKESA-N 2 1 356.486 0.676 10 0 FCAEMP CC[N@H+]1CC[C@@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001544375215 1267578737 /nfs/dbraw/zinc/57/87/37/1267578737.db2.gz DXMLRKDCECSGHD-QGZVFWFLSA-N 2 1 366.506 0.158 10 0 FCAEMP CCN1CC[C@@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001544375215 1267578741 /nfs/dbraw/zinc/57/87/41/1267578741.db2.gz DXMLRKDCECSGHD-QGZVFWFLSA-N 2 1 366.506 0.158 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001341056209 1268764122 /nfs/dbraw/zinc/76/41/22/1268764122.db2.gz LVRYEEIETSYAJR-OKZBNKHCSA-N 2 1 362.518 0.728 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001565951565 1269529624 /nfs/dbraw/zinc/52/96/24/1269529624.db2.gz NAZHTQCLJCTNCP-IXDOHACOSA-N 2 1 366.506 0.156 10 0 FCAEMP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001566054444 1269588259 /nfs/dbraw/zinc/58/82/59/1269588259.db2.gz ATRMSEBDJFFTSX-IXDOHACOSA-N 2 1 350.507 0.728 10 0 FCAEMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001566054444 1269588261 /nfs/dbraw/zinc/58/82/61/1269588261.db2.gz ATRMSEBDJFFTSX-IXDOHACOSA-N 2 1 350.507 0.728 10 0 FCAEMP CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001566054444 1269588264 /nfs/dbraw/zinc/58/82/64/1269588264.db2.gz ATRMSEBDJFFTSX-IXDOHACOSA-N 2 1 350.507 0.728 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001566110825 1269611836 /nfs/dbraw/zinc/61/18/36/1269611836.db2.gz DKQPJWKDVCTYSO-CABCVRRESA-N 2 1 365.526 0.891 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001566110825 1269611840 /nfs/dbraw/zinc/61/18/40/1269611840.db2.gz DKQPJWKDVCTYSO-CABCVRRESA-N 2 1 365.526 0.891 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001566110825 1269611846 /nfs/dbraw/zinc/61/18/46/1269611846.db2.gz DKQPJWKDVCTYSO-CABCVRRESA-N 2 1 365.526 0.891 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001566110825 1269611856 /nfs/dbraw/zinc/61/18/56/1269611856.db2.gz DKQPJWKDVCTYSO-CABCVRRESA-N 2 1 365.526 0.891 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001342929654 1269683954 /nfs/dbraw/zinc/68/39/54/1269683954.db2.gz KUVBPYFUFMYWBA-BRWVUGGUSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2CCCC2=O)CC[N@H+]1C ZINC001568138053 1269719430 /nfs/dbraw/zinc/71/94/30/1269719430.db2.gz BJEVHOZCWASIGA-IXDOHACOSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCNC(=O)C(F)(F)F)CC[N@H+]1C ZINC001569058581 1269760784 /nfs/dbraw/zinc/76/07/84/1269760784.db2.gz LFJWIFBHBJGOBY-RWMBFGLXSA-N 2 1 366.428 0.880 10 0 FCAEMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001569204256 1269769832 /nfs/dbraw/zinc/76/98/32/1269769832.db2.gz HURYASDLDGHMHQ-UMVBOHGHSA-N 2 1 367.494 0.141 10 0 FCAEMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001569418791 1269782830 /nfs/dbraw/zinc/78/28/30/1269782830.db2.gz HIGNPLKYHBCXJA-OIISXLGYSA-N 2 1 358.486 0.705 10 0 FCAEMP Cc1nc(CNC2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)co1 ZINC001569886549 1269814017 /nfs/dbraw/zinc/81/40/17/1269814017.db2.gz FPIRLDCUXDCPLA-RDTXWAMCSA-N 2 1 363.506 0.993 10 0 FCAEMP Cc1nc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)co1 ZINC001569886549 1269814023 /nfs/dbraw/zinc/81/40/23/1269814023.db2.gz FPIRLDCUXDCPLA-RDTXWAMCSA-N 2 1 363.506 0.993 10 0 FCAEMP Cc1nc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)co1 ZINC001569886549 1269814029 /nfs/dbraw/zinc/81/40/29/1269814029.db2.gz FPIRLDCUXDCPLA-RDTXWAMCSA-N 2 1 363.506 0.993 10 0 FCAEMP CC(C)COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001569894412 1269816963 /nfs/dbraw/zinc/81/69/63/1269816963.db2.gz QDEGXFMYSXGDMN-ZHALLVOQSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001569894412 1269816970 /nfs/dbraw/zinc/81/69/70/1269816970.db2.gz QDEGXFMYSXGDMN-ZHALLVOQSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)COCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001569894412 1269816978 /nfs/dbraw/zinc/81/69/78/1269816978.db2.gz QDEGXFMYSXGDMN-ZHALLVOQSA-N 2 1 355.523 0.942 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C(C)(C)C)CCC2)CC[N@@H+]1C ZINC001570105456 1269841373 /nfs/dbraw/zinc/84/13/73/1269841373.db2.gz WQNXZGLTSPKIJJ-ZIAGYGMSSA-N 2 1 363.510 0.897 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C(C)(C)C)CCC2)CC[N@H+]1C ZINC001570105456 1269841377 /nfs/dbraw/zinc/84/13/77/1269841377.db2.gz WQNXZGLTSPKIJJ-ZIAGYGMSSA-N 2 1 363.510 0.897 10 0 FCAEMP CC(C)COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001570283665 1269862696 /nfs/dbraw/zinc/86/26/96/1269862696.db2.gz SIAFPBBTBWHMKR-ZHALLVOQSA-N 2 1 355.523 0.942 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(F)cn2)CC[N@H+]1C ZINC001571580367 1269938142 /nfs/dbraw/zinc/93/81/42/1269938142.db2.gz ONXJVFCWWMCMDZ-YESZJQIVSA-N 2 1 352.454 0.860 10 0 FCAEMP CCc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)o1 ZINC001571580707 1269938317 /nfs/dbraw/zinc/93/83/17/1269938317.db2.gz WBSYNQKJTCJYKM-VNQPRFMTSA-N 2 1 352.479 0.876 10 0 FCAEMP CCc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)o1 ZINC001571580707 1269938327 /nfs/dbraw/zinc/93/83/27/1269938327.db2.gz WBSYNQKJTCJYKM-VNQPRFMTSA-N 2 1 352.479 0.876 10 0 FCAEMP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O)[NH+](CC)CC ZINC001343717901 1269991026 /nfs/dbraw/zinc/99/10/26/1269991026.db2.gz JTNUXBUQZNXCIY-ZACQAIPSSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC001572330137 1270034505 /nfs/dbraw/zinc/03/45/05/1270034505.db2.gz GBBFQDZNEFGEJG-BZUAXINKSA-N 2 1 368.522 0.184 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001572817015 1270186136 /nfs/dbraw/zinc/18/61/36/1270186136.db2.gz KKMZEJHFVRCWKX-BRWVUGGUSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001572913104 1270341448 /nfs/dbraw/zinc/34/14/48/1270341448.db2.gz CIHWHTTVACGCBD-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001572913104 1270341452 /nfs/dbraw/zinc/34/14/52/1270341452.db2.gz CIHWHTTVACGCBD-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1nccn1C ZINC001572916419 1270345901 /nfs/dbraw/zinc/34/59/01/1270345901.db2.gz TXRLAFRQRJFNMT-KLHDSHLOSA-N 2 1 361.490 0.656 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001572995246 1270469422 /nfs/dbraw/zinc/46/94/22/1270469422.db2.gz KKMZEJHFVRCWKX-BBWFWOEESA-N 2 1 368.522 0.279 10 0 FCAEMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001573061561 1270582545 /nfs/dbraw/zinc/58/25/45/1270582545.db2.gz XXWRPQZFXFNPJF-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001573409120 1270772786 /nfs/dbraw/zinc/77/27/86/1270772786.db2.gz UCPGIKKUQJBGBE-IAGOWNOFSA-N 2 1 368.522 0.356 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001573766250 1270873317 /nfs/dbraw/zinc/87/33/17/1270873317.db2.gz LGRYYNSJBHXEKX-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001573766250 1270873331 /nfs/dbraw/zinc/87/33/31/1270873331.db2.gz LGRYYNSJBHXEKX-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001573766250 1270873343 /nfs/dbraw/zinc/87/33/43/1270873343.db2.gz LGRYYNSJBHXEKX-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1)[NH+](C)C ZINC001573766108 1270874159 /nfs/dbraw/zinc/87/41/59/1270874159.db2.gz FRLRANPVIJGDMO-TXPKVOOTSA-N 2 1 352.523 0.975 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001574595907 1271395649 /nfs/dbraw/zinc/39/56/49/1271395649.db2.gz NAQNMMBIBSOHIF-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001574595907 1271395652 /nfs/dbraw/zinc/39/56/52/1271395652.db2.gz NAQNMMBIBSOHIF-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001574595907 1271395653 /nfs/dbraw/zinc/39/56/53/1271395653.db2.gz NAQNMMBIBSOHIF-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCNC(=O)Cn2c[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC001575872820 1272539259 /nfs/dbraw/zinc/53/92/59/1272539259.db2.gz NCPCASOKMLWKCU-HUUCEWRRSA-N 2 1 361.490 0.725 10 0 FCAEMP 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0.580 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001704477832 1286256496 /nfs/dbraw/zinc/25/64/96/1286256496.db2.gz UNTOUHLXACZMJR-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001704477832 1286256504 /nfs/dbraw/zinc/25/65/04/1286256504.db2.gz UNTOUHLXACZMJR-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001704477832 1286256513 /nfs/dbraw/zinc/25/65/13/1286256513.db2.gz UNTOUHLXACZMJR-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001706813802 1286431346 /nfs/dbraw/zinc/43/13/46/1286431346.db2.gz LZHRUEZQDZXSIU-HRCADAONSA-N 2 1 364.494 0.601 10 0 FCAEMP C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001706813802 1286431351 /nfs/dbraw/zinc/43/13/51/1286431351.db2.gz LZHRUEZQDZXSIU-HRCADAONSA-N 2 1 364.494 0.601 10 0 FCAEMP Cn1cc([C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CCCO)cn1 ZINC001707125706 1286461169 /nfs/dbraw/zinc/46/11/69/1286461169.db2.gz GXJXQKXEWJIJPI-FGTMMUONSA-N 2 1 363.506 0.561 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C(C)C ZINC001707150369 1286473841 /nfs/dbraw/zinc/47/38/41/1286473841.db2.gz MXMCWZQMRVKFQK-BRWVUGGUSA-N 2 1 368.522 0.258 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001707151790 1286475358 /nfs/dbraw/zinc/47/53/58/1286475358.db2.gz DSPAKAQXHSQQIA-IXDOHACOSA-N 2 1 368.522 0.401 10 0 FCAEMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001707224821 1287070179 /nfs/dbraw/zinc/07/01/79/1287070179.db2.gz SFOMHXCJEJCFOL-ZACQAIPSSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001707224821 1287070191 /nfs/dbraw/zinc/07/01/91/1287070191.db2.gz SFOMHXCJEJCFOL-ZACQAIPSSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001707224821 1287070201 /nfs/dbraw/zinc/07/02/01/1287070201.db2.gz SFOMHXCJEJCFOL-ZACQAIPSSA-N 2 1 350.507 0.585 10 0 FCAEMP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)C1CC1 ZINC001707224844 1287073285 /nfs/dbraw/zinc/07/32/85/1287073285.db2.gz SOWAQYYHZSKWBT-SJORKVTESA-N 2 1 362.518 0.873 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001707255912 1287107147 /nfs/dbraw/zinc/10/71/47/1287107147.db2.gz MOFWJWGGMCYWDR-OAGGEKHMSA-N 2 1 364.490 0.589 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001707255912 1287107152 /nfs/dbraw/zinc/10/71/52/1287107152.db2.gz MOFWJWGGMCYWDR-OAGGEKHMSA-N 2 1 364.490 0.589 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001707255912 1287107160 /nfs/dbraw/zinc/10/71/60/1287107160.db2.gz MOFWJWGGMCYWDR-OAGGEKHMSA-N 2 1 364.490 0.589 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001707266169 1287125240 /nfs/dbraw/zinc/12/52/40/1287125240.db2.gz YIAZQCXNXOANLX-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001707266169 1287125243 /nfs/dbraw/zinc/12/52/43/1287125243.db2.gz YIAZQCXNXOANLX-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001707266169 1287125246 /nfs/dbraw/zinc/12/52/46/1287125246.db2.gz YIAZQCXNXOANLX-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001707266169 1287125249 /nfs/dbraw/zinc/12/52/49/1287125249.db2.gz YIAZQCXNXOANLX-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP C[C@H](O)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001707278217 1287131944 /nfs/dbraw/zinc/13/19/44/1287131944.db2.gz PVUWRWFPABDVTA-YNEHKIRRSA-N 2 1 352.504 0.838 10 0 FCAEMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707375754 1287132732 /nfs/dbraw/zinc/13/27/32/1287132732.db2.gz QBQKZZPOEUBCSW-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H](C(=O)NCC(F)(F)F)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707375754 1287132737 /nfs/dbraw/zinc/13/27/37/1287132737.db2.gz QBQKZZPOEUBCSW-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H](C(=O)NCC(F)(F)F)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001707375754 1287132743 /nfs/dbraw/zinc/13/27/43/1287132743.db2.gz QBQKZZPOEUBCSW-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C[C@H]1O ZINC001719133054 1287799435 /nfs/dbraw/zinc/79/94/35/1287799435.db2.gz FFONWDZWRPDYLI-GVDBMIGSSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001719133054 1287799442 /nfs/dbraw/zinc/79/94/42/1287799442.db2.gz FFONWDZWRPDYLI-GVDBMIGSSA-N 2 1 368.522 0.279 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)C[N@@H+](C)C3CCC3)CC2)CC[NH+]1C ZINC001722079121 1288399897 /nfs/dbraw/zinc/39/98/97/1288399897.db2.gz LZZGDNLKGJARTQ-JKSUJKDBSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)N[C@@H](C)C3CC3)CC2)CC[N@H+]1C ZINC001723517817 1288424985 /nfs/dbraw/zinc/42/49/85/1288424985.db2.gz OEPWJGLRUOFCCG-CWRNSKLLSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001724219675 1288434146 /nfs/dbraw/zinc/43/41/46/1288434146.db2.gz UOCQANJCZAZQPH-PMUMKWKESA-N 2 1 367.494 0.001 10 0 FCAEMP CCCC[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725234760 1288463974 /nfs/dbraw/zinc/46/39/74/1288463974.db2.gz RQAIDWGEMBWUAP-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001725356828 1288466093 /nfs/dbraw/zinc/46/60/93/1288466093.db2.gz LOJGFKHMAKPAQN-LUKYLMHMSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@H](CCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725383488 1288467259 /nfs/dbraw/zinc/46/72/59/1288467259.db2.gz APGRJVPXJYLHBR-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCOc2cccc(F)c2)CC[N@H+]1C ZINC001725695256 1288472969 /nfs/dbraw/zinc/47/29/69/1288472969.db2.gz MHLXWAVDTPOIND-QGPMSJSTSA-N 2 1 367.465 0.954 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001731365191 1288553594 /nfs/dbraw/zinc/55/35/94/1288553594.db2.gz IILLPRQEMNIPBW-CEXWTWQISA-N 2 1 366.550 0.877 10 0 FCAEMP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001731563481 1288560017 /nfs/dbraw/zinc/56/00/17/1288560017.db2.gz RKKXIJCYWXTNGK-ZDGDKENJSA-N 2 1 350.507 0.807 10 0 FCAEMP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731563481 1288560021 /nfs/dbraw/zinc/56/00/21/1288560021.db2.gz RKKXIJCYWXTNGK-ZDGDKENJSA-N 2 1 350.507 0.807 10 0 FCAEMP 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C[C@H](C[NH2+]CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001669293857 1291988437 /nfs/dbraw/zinc/98/84/37/1291988437.db2.gz SKZJHLFRPWFNBL-BFYDXBDKSA-N 2 1 367.515 0.895 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001669292564 1291988725 /nfs/dbraw/zinc/98/87/25/1291988725.db2.gz DEHNFCOGFRTMPJ-MGPQQGTHSA-N 2 1 350.467 0.102 10 0 FCAEMP C[C@H](C[NH2+]CC(=O)NCCc1ccsc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001669292728 1291989144 /nfs/dbraw/zinc/98/91/44/1291989144.db2.gz FURVXCGXHPWCFG-IIAWOOMASA-N 2 1 366.531 0.841 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCN2CCNC2=O)C2CCCC2)CC[N@H+]1C ZINC001671530048 1292038973 /nfs/dbraw/zinc/03/89/73/1292038973.db2.gz DHMABFAHCASKHI-OIISXLGYSA-N 2 1 365.522 0.616 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2nnc(C)s2)CC[N@@H+]1C ZINC001672621653 1292086959 /nfs/dbraw/zinc/08/69/59/1292086959.db2.gz SZCLZVLJQZIFDP-UONOGXRCSA-N 2 1 355.508 0.487 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2nnc(C)s2)CC[N@H+]1C ZINC001672621653 1292086967 /nfs/dbraw/zinc/08/69/67/1292086967.db2.gz SZCLZVLJQZIFDP-UONOGXRCSA-N 2 1 355.508 0.487 10 0 FCAEMP C[C@H](CCC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001675902417 1292187458 /nfs/dbraw/zinc/18/74/58/1292187458.db2.gz DPFKQARNYIZNNH-UMVBOHGHSA-N 2 1 367.494 0.189 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001685106890 1292430565 /nfs/dbraw/zinc/43/05/65/1292430565.db2.gz RFIVAHMRFKQSMA-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001685106890 1292430567 /nfs/dbraw/zinc/43/05/67/1292430567.db2.gz RFIVAHMRFKQSMA-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001685106890 1292430570 /nfs/dbraw/zinc/43/05/70/1292430570.db2.gz RFIVAHMRFKQSMA-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001685268739 1292476480 /nfs/dbraw/zinc/47/64/80/1292476480.db2.gz FGUHTIJNMFGQTE-WBVHZDCISA-N 2 1 368.522 0.543 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCOCCO)C3)C2)CC[N@H+]1C ZINC001277516753 861912652 /nfs/dbraw/zinc/91/26/52/861912652.db2.gz OACXZASNRHZJOR-YQVWRLOYSA-N 2 1 353.507 0.650 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCOCCO)C3)C2)CC[NH+]1C ZINC001277516753 861912666 /nfs/dbraw/zinc/91/26/66/861912666.db2.gz OACXZASNRHZJOR-YQVWRLOYSA-N 2 1 353.507 0.650 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCOCCO)C3)C2)CC[NH+]1C ZINC001277516753 861912681 /nfs/dbraw/zinc/91/26/81/861912681.db2.gz OACXZASNRHZJOR-YQVWRLOYSA-N 2 1 353.507 0.650 10 0 FCAEMP CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001263908168 859235870 /nfs/dbraw/zinc/23/58/70/859235870.db2.gz ZRBYYQBWTAFAND-QWHCGFSZSA-N 2 1 351.451 0.360 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001264067407 859295935 /nfs/dbraw/zinc/29/59/35/859295935.db2.gz BVUVHOJGHXWKLU-UONOGXRCSA-N 2 1 355.483 0.143 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1CC(=O)NC(=O)NC ZINC001264067407 859295946 /nfs/dbraw/zinc/29/59/46/859295946.db2.gz BVUVHOJGHXWKLU-UONOGXRCSA-N 2 1 355.483 0.143 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001264157678 859333798 /nfs/dbraw/zinc/33/37/98/859333798.db2.gz ONMUCMARKZRSJO-KFWWJZLASA-N 2 1 357.520 0.342 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001264157678 859333803 /nfs/dbraw/zinc/33/38/03/859333803.db2.gz ONMUCMARKZRSJO-KFWWJZLASA-N 2 1 357.520 0.342 10 0 FCAEMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264168425 859340668 /nfs/dbraw/zinc/34/06/68/859340668.db2.gz UFBVUTOBGWDZLW-XHSDSOJGSA-N 2 1 350.507 0.822 10 0 FCAEMP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264168425 859340670 /nfs/dbraw/zinc/34/06/70/859340670.db2.gz UFBVUTOBGWDZLW-XHSDSOJGSA-N 2 1 350.507 0.822 10 0 FCAEMP CC(C)COCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266285790 859476489 /nfs/dbraw/zinc/47/64/89/859476489.db2.gz NGGQHMCIGQKXQP-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001266939946 859493813 /nfs/dbraw/zinc/49/38/13/859493813.db2.gz RLPHSJFFIWUCFB-SQWLQELKSA-N 2 1 350.463 0.673 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CC3CC3)C2)CC[N@H+]1C ZINC001267000951 859494829 /nfs/dbraw/zinc/49/48/29/859494829.db2.gz HOFKJBIZXXEKGY-DJIMGWMZSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001267559547 859507966 /nfs/dbraw/zinc/50/79/66/859507966.db2.gz WXOKWBHULDWHDZ-IXDOHACOSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001267559547 859507971 /nfs/dbraw/zinc/50/79/71/859507971.db2.gz WXOKWBHULDWHDZ-IXDOHACOSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC[NH+]1C ZINC001267559547 859507978 /nfs/dbraw/zinc/50/79/78/859507978.db2.gz WXOKWBHULDWHDZ-IXDOHACOSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](C[C@@H](C)OC)CC2)CC[N@H+]1C ZINC001267607834 859509722 /nfs/dbraw/zinc/50/97/22/859509722.db2.gz WTMILKXBWQGOEU-FGTMMUONSA-N 2 1 354.539 0.828 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001267985237 859519743 /nfs/dbraw/zinc/51/97/43/859519743.db2.gz CZISSDOWOAXFTG-RBSFLKMASA-N 2 1 355.527 0.766 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(CO)ccc2F)CC[N@H+]1C ZINC001268306498 859528668 /nfs/dbraw/zinc/52/86/68/859528668.db2.gz BRMUZCRURKEOPF-DAXOMENPSA-N 2 1 353.438 0.225 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC(C)(C)C)C2CC2)CC[N@H+]1C ZINC001269071181 859544394 /nfs/dbraw/zinc/54/43/94/859544394.db2.gz DNHBLMBVTOOQHW-FVQBIDKESA-N 2 1 352.523 0.973 10 0 FCAEMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)NCC(F)(F)F ZINC001269415792 859548833 /nfs/dbraw/zinc/54/88/33/859548833.db2.gz JQYZGJXTLJWQEE-IJLUTSLNSA-N 2 1 364.412 0.632 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCOC3CCC3)C2)CC[N@H+]1C ZINC001271147085 859905662 /nfs/dbraw/zinc/90/56/62/859905662.db2.gz ZXDYGIXLWYXENP-SCTDSRPQSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001271147085 859905665 /nfs/dbraw/zinc/90/56/65/859905665.db2.gz ZXDYGIXLWYXENP-SCTDSRPQSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCOC3CCC3)C2)CC[NH+]1C ZINC001271147085 859905669 /nfs/dbraw/zinc/90/56/69/859905669.db2.gz ZXDYGIXLWYXENP-SCTDSRPQSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCOCCO)CC[N@H+]1C ZINC001272025920 860068497 /nfs/dbraw/zinc/06/84/97/860068497.db2.gz YXSHFKYEJQBSDR-BSDSXHPESA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCOCCO)CC[NH+]1C ZINC001272025920 860068512 /nfs/dbraw/zinc/06/85/12/860068512.db2.gz YXSHFKYEJQBSDR-BSDSXHPESA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCOCCO)CC[NH+]1C ZINC001272025920 860068524 /nfs/dbraw/zinc/06/85/24/860068524.db2.gz YXSHFKYEJQBSDR-BSDSXHPESA-N 2 1 353.507 0.791 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@](CO)(NCc3csnn3)C2)CC[N@H+]1C ZINC001273876845 860624972 /nfs/dbraw/zinc/62/49/72/860624972.db2.gz ROJBTFABQBPJCV-UXLLHSPISA-N 2 1 367.519 0.712 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]Cc3cncs3)C2)CC[N@H+]1C ZINC001273876114 860625072 /nfs/dbraw/zinc/62/50/72/860625072.db2.gz LUHWZZOYRVKNLO-UNEWFSDZSA-N 2 1 352.504 0.926 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001274036379 860663958 /nfs/dbraw/zinc/66/39/58/860663958.db2.gz NISKXTDFRVQSBC-BBROLEBSSA-N 2 1 371.547 0.804 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001274036380 860664003 /nfs/dbraw/zinc/66/40/03/860664003.db2.gz NISKXTDFRVQSBC-BWCQMHGCSA-N 2 1 371.547 0.804 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](CC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001274910220 860870045 /nfs/dbraw/zinc/87/00/45/860870045.db2.gz FAILFNIWZXMARA-BRWVUGGUSA-N 2 1 353.507 0.696 10 0 FCAEMP CCS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001280480447 863425965 /nfs/dbraw/zinc/42/59/65/863425965.db2.gz OEXZWNRFKOUSDB-HUUCEWRRSA-N 2 1 359.536 0.780 10 0 FCAEMP C[C@H](O)CN1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281788909 863744662 /nfs/dbraw/zinc/74/46/62/863744662.db2.gz QXSNTQQIDQQKDM-RCCFBDPRSA-N 2 1 354.539 0.612 10 0 FCAEMP C[C@H](O)C[NH+]1CCN(CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281788909 863744666 /nfs/dbraw/zinc/74/46/66/863744666.db2.gz QXSNTQQIDQQKDM-RCCFBDPRSA-N 2 1 354.539 0.612 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001281835067 863798034 /nfs/dbraw/zinc/79/80/34/863798034.db2.gz REEGIRKHFBXVFE-HUUCEWRRSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001281862154 863838401 /nfs/dbraw/zinc/83/84/01/863838401.db2.gz KBNWMZXWEJKSSK-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1OC)[NH+](C)C ZINC001281864591 863841922 /nfs/dbraw/zinc/84/19/22/863841922.db2.gz XOINJDJCRGAMOT-QLFBSQMISA-N 2 1 356.511 0.399 10 0 FCAEMP Cc1csc(=O)n1CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001282391033 864242481 /nfs/dbraw/zinc/24/24/81/864242481.db2.gz KZWWKZRBYWOSKL-NWANDNLSSA-N 2 1 354.520 0.995 10 0 FCAEMP Cc1csc(=O)n1CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001282391033 864242496 /nfs/dbraw/zinc/24/24/96/864242496.db2.gz KZWWKZRBYWOSKL-NWANDNLSSA-N 2 1 354.520 0.995 10 0 FCAEMP Cc1csc(=O)n1CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001282391033 864242508 /nfs/dbraw/zinc/24/25/08/864242508.db2.gz KZWWKZRBYWOSKL-NWANDNLSSA-N 2 1 354.520 0.995 10 0 FCAEMP COc1coc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001283613400 864508188 /nfs/dbraw/zinc/50/81/88/864508188.db2.gz WVALZIPFGZEBOP-UMVBOHGHSA-N 2 1 351.447 0.925 10 0 FCAEMP CO[C@@H](C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001283820588 864523747 /nfs/dbraw/zinc/52/37/47/864523747.db2.gz KHWGADMMAAFAHQ-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP CO[C@@H](C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001283820588 864523761 /nfs/dbraw/zinc/52/37/61/864523761.db2.gz KHWGADMMAAFAHQ-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP 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ZINC000561121505 491576349 /nfs/dbraw/zinc/57/63/49/491576349.db2.gz NUDIVPNOLPAVCH-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000683431669 493352094 /nfs/dbraw/zinc/35/20/94/493352094.db2.gz VLXBMOAVRPVJFL-MRXNPFEDSA-N 2 1 362.478 0.516 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000568608541 491591131 /nfs/dbraw/zinc/59/11/31/491591131.db2.gz FVVRJFCGLLJRLW-IXDOHACOSA-N 2 1 365.522 0.855 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000568608541 491591135 /nfs/dbraw/zinc/59/11/35/491591135.db2.gz FVVRJFCGLLJRLW-IXDOHACOSA-N 2 1 365.522 0.855 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2cc(C(=O)N[C@H]3CCC[N@H+](C)C3)ccn2)C1 ZINC000673661243 493354591 /nfs/dbraw/zinc/35/45/91/493354591.db2.gz GWZZNHULNACLBF-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccnc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000673661243 493354594 /nfs/dbraw/zinc/35/45/94/493354594.db2.gz GWZZNHULNACLBF-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP O=C(C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000660473942 493354614 /nfs/dbraw/zinc/35/46/14/493354614.db2.gz WMKQWIMENPLDCP-GOSISDBHSA-N 2 1 364.534 0.916 10 0 FCAEMP O=C(C[N@H+]1CCC[C@@H](N2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000660473942 493354619 /nfs/dbraw/zinc/35/46/19/493354619.db2.gz WMKQWIMENPLDCP-GOSISDBHSA-N 2 1 364.534 0.916 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccnc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000673661243 493354597 /nfs/dbraw/zinc/35/45/97/493354597.db2.gz GWZZNHULNACLBF-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C2CC3CC(C2)CC1C3 ZINC000576450882 491615795 /nfs/dbraw/zinc/61/57/95/491615795.db2.gz UNGOOIYVPRAMDR-VQCIWKMKSA-N 2 1 374.529 0.999 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C2CC3CC(C2)CC1C3 ZINC000576450878 491615897 /nfs/dbraw/zinc/61/58/97/491615897.db2.gz UNGOOIYVPRAMDR-QEQVDOGFSA-N 2 1 374.529 0.999 10 0 FCAEMP CN1CC[N@@H+](CCCNC(=O)CCOC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000576463825 491617006 /nfs/dbraw/zinc/61/70/06/491617006.db2.gz YLYDQNUDMQHLFB-IBGZPJMESA-N 2 1 360.502 0.860 10 0 FCAEMP C[N@@H+]1CCN(CCCNC(=O)CCOC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000576463825 491617008 /nfs/dbraw/zinc/61/70/08/491617008.db2.gz YLYDQNUDMQHLFB-IBGZPJMESA-N 2 1 360.502 0.860 10 0 FCAEMP C[N@H+]1CCN(CCCNC(=O)CCOC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000576463825 491617012 /nfs/dbraw/zinc/61/70/12/491617012.db2.gz YLYDQNUDMQHLFB-IBGZPJMESA-N 2 1 360.502 0.860 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000576719027 491639268 /nfs/dbraw/zinc/63/92/68/491639268.db2.gz NCVPHSBREJHOPT-LJQANCHMSA-N 2 1 365.522 0.714 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000578130360 491670568 /nfs/dbraw/zinc/67/05/68/491670568.db2.gz GOHZXALBAYCWSO-MRXNPFEDSA-N 2 1 362.478 0.044 10 0 FCAEMP COC(=O)[C@](C)(O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000578517405 491679023 /nfs/dbraw/zinc/67/90/23/491679023.db2.gz CEKJAWLRACBJSW-AZUAARDMSA-N 2 1 361.486 0.803 10 0 FCAEMP COC(=O)[C@](C)(O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000578517405 491679024 /nfs/dbraw/zinc/67/90/24/491679024.db2.gz CEKJAWLRACBJSW-AZUAARDMSA-N 2 1 361.486 0.803 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579812102 491705681 /nfs/dbraw/zinc/70/56/81/491705681.db2.gz QNANVALMTQKENN-LPHOPBHVSA-N 2 1 365.522 0.714 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000579816800 491705728 /nfs/dbraw/zinc/70/57/28/491705728.db2.gz XJEIRXDRFIYZSO-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000579816800 491705729 /nfs/dbraw/zinc/70/57/29/491705729.db2.gz XJEIRXDRFIYZSO-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000579816800 491705730 /nfs/dbraw/zinc/70/57/30/491705730.db2.gz XJEIRXDRFIYZSO-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c(=O)n2C ZINC000584623054 491709017 /nfs/dbraw/zinc/70/90/17/491709017.db2.gz XLRNUKBYAFZHMF-LSDHHAIUSA-N 2 1 374.489 0.288 10 0 FCAEMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000579932924 491709945 /nfs/dbraw/zinc/70/99/45/491709945.db2.gz ZVKWJCBVXCMFSQ-RHSMWYFYSA-N 2 1 359.474 0.812 10 0 FCAEMP C[C@@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000581715908 491783953 /nfs/dbraw/zinc/78/39/53/491783953.db2.gz IUISOZQORDYSLQ-FQEVSTJZSA-N 2 1 373.501 0.772 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000582068381 491796603 /nfs/dbraw/zinc/79/66/03/491796603.db2.gz JPARCVSMDGFRRL-MRXNPFEDSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582291189 491805817 /nfs/dbraw/zinc/80/58/17/491805817.db2.gz HMHGLNCTEWVABD-GJYPPUQNSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C ZINC000582679472 491822583 /nfs/dbraw/zinc/82/25/83/491822583.db2.gz JOXMJRYQLQPSQT-RBSFLKMASA-N 2 1 350.463 0.940 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000582679472 491822584 /nfs/dbraw/zinc/82/25/84/491822584.db2.gz JOXMJRYQLQPSQT-RBSFLKMASA-N 2 1 350.463 0.940 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000592054247 491829758 /nfs/dbraw/zinc/82/97/58/491829758.db2.gz JFDGDBFASATJEO-YOEHRIQHSA-N 2 1 363.458 0.804 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000592054247 491829760 /nfs/dbraw/zinc/82/97/60/491829760.db2.gz JFDGDBFASATJEO-YOEHRIQHSA-N 2 1 363.458 0.804 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000583395887 491844024 /nfs/dbraw/zinc/84/40/24/491844024.db2.gz RCYUYPBKOZWEKB-IAGOWNOFSA-N 2 1 350.507 0.968 10 0 FCAEMP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391675 491927610 /nfs/dbraw/zinc/92/76/10/491927610.db2.gz MORJBAJCGFEYPA-QGZVFWFLSA-N 2 1 368.522 0.498 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000613981593 492007461 /nfs/dbraw/zinc/00/74/61/492007461.db2.gz HTHHUBCGMDJNBD-QBPKDAKJSA-N 2 1 350.507 0.824 10 0 FCAEMP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)n2C ZINC000614066962 492012759 /nfs/dbraw/zinc/01/27/59/492012759.db2.gz MVJWQTGYNJTNLL-SFHVURJKSA-N 2 1 360.462 0.563 10 0 FCAEMP C[NH+]1CCC[C@H]1C(=O)NCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000614860461 492060983 /nfs/dbraw/zinc/06/09/83/492060983.db2.gz HPAGPERHSYGQPY-HOTGVXAUSA-N 2 1 366.506 0.204 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCO[C@@H]3C(=O)OC)CC2)CC1 ZINC000598011399 492078822 /nfs/dbraw/zinc/07/88/22/492078822.db2.gz ZJBJOIJTOVMTAR-SJORKVTESA-N 2 1 367.490 0.629 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000617415839 492166689 /nfs/dbraw/zinc/16/66/89/492166689.db2.gz RHLWXIZOZKYFCM-IRXDYDNUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000617504937 492172773 /nfs/dbraw/zinc/17/27/73/492172773.db2.gz QBJSNWIBKPRRKJ-HNNXBMFYSA-N 2 1 355.527 0.768 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000617504937 492172775 /nfs/dbraw/zinc/17/27/75/492172775.db2.gz QBJSNWIBKPRRKJ-HNNXBMFYSA-N 2 1 355.527 0.768 10 0 FCAEMP Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505870 492173084 /nfs/dbraw/zinc/17/30/84/492173084.db2.gz SXCORIXVMMGSPA-AWEZNQCLSA-N 2 1 352.479 0.641 10 0 FCAEMP Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505870 492173086 /nfs/dbraw/zinc/17/30/86/492173086.db2.gz SXCORIXVMMGSPA-AWEZNQCLSA-N 2 1 352.479 0.641 10 0 FCAEMP Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(=O)c1 ZINC000617507443 492173320 /nfs/dbraw/zinc/17/33/20/492173320.db2.gz WZWJHKXOTZBPRW-QFBILLFUSA-N 2 1 366.506 0.296 10 0 FCAEMP Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(=O)c1 ZINC000617507443 492173322 /nfs/dbraw/zinc/17/33/22/492173322.db2.gz WZWJHKXOTZBPRW-QFBILLFUSA-N 2 1 366.506 0.296 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)c1cccc(O)c1 ZINC000617507058 492173342 /nfs/dbraw/zinc/17/33/42/492173342.db2.gz GRVBWKLOTLNZHV-AWEZNQCLSA-N 2 1 350.463 0.510 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)c1cccc(O)c1 ZINC000617507058 492173344 /nfs/dbraw/zinc/17/33/44/492173344.db2.gz GRVBWKLOTLNZHV-AWEZNQCLSA-N 2 1 350.463 0.510 10 0 FCAEMP CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617554714 492175549 /nfs/dbraw/zinc/17/55/49/492175549.db2.gz IGRFVALZROVOAQ-IAGOWNOFSA-N 2 1 366.506 0.252 10 0 FCAEMP 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MQEKCIJWCMJGDY-QGZVFWFLSA-N 2 1 367.538 0.914 10 0 FCAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650736779 492664626 /nfs/dbraw/zinc/66/46/26/492664626.db2.gz YALLBZSEXAYHQB-IXDOHACOSA-N 2 1 367.538 0.768 10 0 FCAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650730202 492665052 /nfs/dbraw/zinc/66/50/52/492665052.db2.gz PORHSIMEEBGKLK-MRXNPFEDSA-N 2 1 367.538 0.912 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1=O ZINC000650993393 492691567 /nfs/dbraw/zinc/69/15/67/492691567.db2.gz IAHXVTIGFUWILI-KRWDZBQOSA-N 2 1 359.474 0.589 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1=O ZINC000650993393 492691570 /nfs/dbraw/zinc/69/15/70/492691570.db2.gz IAHXVTIGFUWILI-KRWDZBQOSA-N 2 1 359.474 0.589 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCOC1 ZINC000651281577 492734564 /nfs/dbraw/zinc/73/45/64/492734564.db2.gz ZFWJOWLVBKNMHM-WMZOPIPTSA-N 2 1 356.511 0.585 10 0 FCAEMP 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492844555 /nfs/dbraw/zinc/84/45/55/492844555.db2.gz XOZVMQIZXGTSSS-ROUUACIJSA-N 2 1 367.515 0.901 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631912579 492878936 /nfs/dbraw/zinc/87/89/36/492878936.db2.gz PYJWOHBPUGRUTO-SFHVURJKSA-N 2 1 367.515 0.821 10 0 FCAEMP C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000645220131 492879850 /nfs/dbraw/zinc/87/98/50/492879850.db2.gz NBAAGHAFVFVSHE-BZUAXINKSA-N 2 1 353.511 0.868 10 0 FCAEMP CCO[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652122587 492883043 /nfs/dbraw/zinc/88/30/43/492883043.db2.gz CGDKPJBRRRLJLE-KLHDSHLOSA-N 2 1 356.511 0.879 10 0 FCAEMP Cc1ccc([C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000631917921 492883464 /nfs/dbraw/zinc/88/34/64/492883464.db2.gz WQTADUUZXHRAGL-LSDHHAIUSA-N 2 1 357.476 0.633 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652276384 492904092 /nfs/dbraw/zinc/90/40/92/492904092.db2.gz UBBDTMFJCVQEPJ-UHFFFAOYSA-N 2 1 365.453 0.590 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658464966 492905495 /nfs/dbraw/zinc/90/54/95/492905495.db2.gz RCGSIQURGYFQCR-INIZCTEOSA-N 2 1 354.495 0.110 10 0 FCAEMP CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658467644 492906672 /nfs/dbraw/zinc/90/66/72/492906672.db2.gz GSBMFKNAYPFTES-CQSZACIVSA-N 2 1 350.467 0.326 10 0 FCAEMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347541 492913159 /nfs/dbraw/zinc/91/31/59/492913159.db2.gz DHUJKGZCGLPLAD-AESZEHBQSA-N 2 1 366.506 0.330 10 0 FCAEMP CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000658542503 492939561 /nfs/dbraw/zinc/93/95/61/492939561.db2.gz VHWYDSISMCXJFV-IRXDYDNUSA-N 2 1 366.506 0.251 10 0 FCAEMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000645621411 492944744 /nfs/dbraw/zinc/94/47/44/492944744.db2.gz UXVXLGOLJGJVKS-YOEHRIQHSA-N 2 1 360.458 0.728 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673526 492985044 /nfs/dbraw/zinc/98/50/44/492985044.db2.gz SNUPICHVQQPWBH-CAOSSQGBSA-N 2 1 354.495 0.045 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652682147 492988939 /nfs/dbraw/zinc/98/89/39/492988939.db2.gz CEGNQAMPMUPTRC-QLFBSQMISA-N 2 1 368.503 0.289 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652682148 492988976 /nfs/dbraw/zinc/98/89/76/492988976.db2.gz CEGNQAMPMUPTRC-RBSFLKMASA-N 2 1 368.503 0.289 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652702068 492994923 /nfs/dbraw/zinc/99/49/23/492994923.db2.gz PCRSFJMBFAKZMR-NJAFHUGGSA-N 2 1 358.486 0.486 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652702068 492994925 /nfs/dbraw/zinc/99/49/25/492994925.db2.gz PCRSFJMBFAKZMR-NJAFHUGGSA-N 2 1 358.486 0.486 10 0 FCAEMP 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FCAEMP O=C(NC[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1)[C@@H]1CCC[NH2+]1 ZINC000663493937 493593113 /nfs/dbraw/zinc/59/31/13/493593113.db2.gz DZGFJVBBNUZPCP-HIFRSBDPSA-N 3 1 363.531 0.869 10 0 FCAEMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cn2)CC1 ZINC000677863440 493620337 /nfs/dbraw/zinc/62/03/37/493620337.db2.gz YLXGLXXTGHPDEA-SFHVURJKSA-N 2 1 372.517 0.230 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC000663956076 493627759 /nfs/dbraw/zinc/62/77/59/493627759.db2.gz BHLCHZOEGWAGCX-ZYGGUILKSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC000663956076 493627761 /nfs/dbraw/zinc/62/77/61/493627761.db2.gz BHLCHZOEGWAGCX-ZYGGUILKSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000663956076 493627763 /nfs/dbraw/zinc/62/77/63/493627763.db2.gz BHLCHZOEGWAGCX-ZYGGUILKSA-N 2 1 350.507 0.824 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664065208 493634386 /nfs/dbraw/zinc/63/43/86/493634386.db2.gz IQYGOJCJXHBXBW-SJORKVTESA-N 2 1 356.511 0.849 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCOCC1 ZINC000664191358 493643257 /nfs/dbraw/zinc/64/32/57/493643257.db2.gz SDQYNVGADUJWLW-WBVHZDCISA-N 2 1 354.495 0.195 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCOCC1 ZINC000664191358 493643258 /nfs/dbraw/zinc/64/32/58/493643258.db2.gz SDQYNVGADUJWLW-WBVHZDCISA-N 2 1 354.495 0.195 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000664333403 493654029 /nfs/dbraw/zinc/65/40/29/493654029.db2.gz KVYCUBFDGMWMMW-QKPAOTATSA-N 2 1 353.511 0.567 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000664333403 493654030 /nfs/dbraw/zinc/65/40/30/493654030.db2.gz KVYCUBFDGMWMMW-QKPAOTATSA-N 2 1 353.511 0.567 10 0 FCAEMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678749036 493658923 /nfs/dbraw/zinc/65/89/23/493658923.db2.gz KNLJTEBECPMLJK-CQSZACIVSA-N 2 1 362.478 0.689 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000664583451 493669343 /nfs/dbraw/zinc/66/93/43/493669343.db2.gz WNDKKPOUTCRVGC-XHSDSOJGSA-N 2 1 371.526 0.193 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000664583451 493669345 /nfs/dbraw/zinc/66/93/45/493669345.db2.gz WNDKKPOUTCRVGC-XHSDSOJGSA-N 2 1 371.526 0.193 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000664815902 493684786 /nfs/dbraw/zinc/68/47/86/493684786.db2.gz WMQPZARZIWOMET-KRWDZBQOSA-N 2 1 369.554 0.765 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000665202481 493704108 /nfs/dbraw/zinc/70/41/08/493704108.db2.gz DTQTWXCHAVAHKD-GJZGRUSLSA-N 2 1 355.527 0.957 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000665202481 493704111 /nfs/dbraw/zinc/70/41/11/493704111.db2.gz DTQTWXCHAVAHKD-GJZGRUSLSA-N 2 1 355.527 0.957 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000671904207 493712438 /nfs/dbraw/zinc/71/24/38/493712438.db2.gz ILBFNSMPTROXEJ-MOPGFXCFSA-N 2 1 372.513 0.878 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000671904207 493712440 /nfs/dbraw/zinc/71/24/40/493712440.db2.gz ILBFNSMPTROXEJ-MOPGFXCFSA-N 2 1 372.513 0.878 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000671904207 493712442 /nfs/dbraw/zinc/71/24/42/493712442.db2.gz ILBFNSMPTROXEJ-MOPGFXCFSA-N 2 1 372.513 0.878 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000665636843 493728662 /nfs/dbraw/zinc/72/86/62/493728662.db2.gz LBFXBZAFICQHBU-HNNXBMFYSA-N 2 1 355.527 0.768 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000665636843 493728664 /nfs/dbraw/zinc/72/86/64/493728664.db2.gz LBFXBZAFICQHBU-HNNXBMFYSA-N 2 1 355.527 0.768 10 0 FCAEMP COCC(=O)NC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665639079 493728686 /nfs/dbraw/zinc/72/86/86/493728686.db2.gz LKDHJJFIDYFEOQ-HNNXBMFYSA-N 2 1 371.526 0.195 10 0 FCAEMP COCC(=O)NC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665639079 493728688 /nfs/dbraw/zinc/72/86/88/493728688.db2.gz LKDHJJFIDYFEOQ-HNNXBMFYSA-N 2 1 371.526 0.195 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000665761567 493733759 /nfs/dbraw/zinc/73/37/59/493733759.db2.gz IISBDBVQSQBLCT-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000665761567 493733762 /nfs/dbraw/zinc/73/37/62/493733762.db2.gz IISBDBVQSQBLCT-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000665762766 493734871 /nfs/dbraw/zinc/73/48/71/493734871.db2.gz PIYKQLZGXJYKRZ-IRXDYDNUSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000665762766 493734873 /nfs/dbraw/zinc/73/48/73/493734873.db2.gz PIYKQLZGXJYKRZ-IRXDYDNUSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000665764133 493736395 /nfs/dbraw/zinc/73/63/95/493736395.db2.gz VVIBYFOQWPDLOQ-MLHJIOFPSA-N 2 1 370.538 0.830 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000665764133 493736397 /nfs/dbraw/zinc/73/63/97/493736397.db2.gz VVIBYFOQWPDLOQ-MLHJIOFPSA-N 2 1 370.538 0.830 10 0 FCAEMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681179654 493748999 /nfs/dbraw/zinc/74/89/99/493748999.db2.gz OTONNIQIFZZTIW-HNNXBMFYSA-N 2 1 351.499 0.592 10 0 FCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000410727719 527817581 /nfs/dbraw/zinc/81/75/81/527817581.db2.gz BVDTZKGENGBXBP-WBVHZDCISA-N 2 1 350.507 0.872 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000410727719 527817588 /nfs/dbraw/zinc/81/75/88/527817588.db2.gz BVDTZKGENGBXBP-WBVHZDCISA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000419155888 536336874 /nfs/dbraw/zinc/33/68/74/536336874.db2.gz IVONTNDMXGFYTC-KRWDZBQOSA-N 2 1 359.474 0.403 10 0 FCAEMP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419457508 536751056 /nfs/dbraw/zinc/75/10/56/536751056.db2.gz WVLYBJCFZGPXNR-HOTGVXAUSA-N 2 1 370.538 0.972 10 0 FCAEMP Cc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000547281890 547051217 /nfs/dbraw/zinc/05/12/17/547051217.db2.gz GBAKBNNXTUUJBE-QGZVFWFLSA-N 2 1 350.467 0.646 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1N=NC(=O)N1C1CC1 ZINC000923875643 663242761 /nfs/dbraw/zinc/24/27/61/663242761.db2.gz POAOAYQFFORACW-LBPRGKRZSA-N 2 1 353.471 0.390 10 0 FCAEMP COC(=O)c1cnc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)s1 ZINC000894985731 664995462 /nfs/dbraw/zinc/99/54/62/664995462.db2.gz ISUADYIRBPXECE-UHFFFAOYSA-N 2 1 368.503 0.816 10 0 FCAEMP C[NH+](C)CCN1CCC(CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896410574 665083973 /nfs/dbraw/zinc/08/39/73/665083973.db2.gz OEAWOPXYONIJOL-UHFFFAOYSA-N 2 1 352.523 0.487 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925154002 665172224 /nfs/dbraw/zinc/17/22/24/665172224.db2.gz NRRBQUMRSBXYCB-BRWVUGGUSA-N 2 1 368.547 0.930 10 0 FCAEMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925177510 665178800 /nfs/dbraw/zinc/17/88/00/665178800.db2.gz NVBCJBVDDHVDGR-HUUCEWRRSA-N 2 1 371.551 0.228 10 0 FCAEMP COCC[NH+](CCOC)C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000908163141 666189566 /nfs/dbraw/zinc/18/95/66/666189566.db2.gz YLYWWZOWAOJRPH-FUHWJXTLSA-N 2 1 357.495 0.027 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000941216157 666593614 /nfs/dbraw/zinc/59/36/14/666593614.db2.gz HNOHSNOKSWPVPN-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000941216157 666593615 /nfs/dbraw/zinc/59/36/15/666593615.db2.gz HNOHSNOKSWPVPN-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000941216157 666593617 /nfs/dbraw/zinc/59/36/17/666593617.db2.gz HNOHSNOKSWPVPN-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP C[NH+]1CCN([C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000923596557 666642210 /nfs/dbraw/zinc/64/22/10/666642210.db2.gz HHHHIPFSIORIJC-LSDHHAIUSA-N 2 1 372.560 0.708 10 0 FCAEMP C[NH+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@@]34CC[N@@H+](C3)CCC4)CC2)C1 ZINC000914117578 666698468 /nfs/dbraw/zinc/69/84/68/666698468.db2.gz WERSPQMQBFVNQS-ROUUACIJSA-N 2 1 370.563 0.514 10 0 FCAEMP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000914396929 666750914 /nfs/dbraw/zinc/75/09/14/666750914.db2.gz GYZXCJZBRZRFDY-HZPDHXFCSA-N 2 1 356.536 0.976 10 0 FCAEMP CC[S@@](=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000735097082 667005369 /nfs/dbraw/zinc/00/53/69/667005369.db2.gz XFWGQPQGGVWKJL-RUZDIDTESA-N 2 1 367.519 0.662 10 0 FCAEMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCOCC1 ZINC000918664515 667130599 /nfs/dbraw/zinc/13/05/99/667130599.db2.gz HAWQTOIOQHZHBW-CABCVRRESA-N 2 1 356.536 0.976 10 0 FCAEMP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000921668730 667215982 /nfs/dbraw/zinc/21/59/82/667215982.db2.gz WLWGIVZCCAAQJD-IRXDYDNUSA-N 2 1 369.579 0.891 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CSCN1C(C)=O ZINC000505840247 667792102 /nfs/dbraw/zinc/79/21/02/667792102.db2.gz QSDZJZZDHYJFSY-JKSUJKDBSA-N 2 1 356.536 0.782 10 0 FCAEMP CN(CCCOc1ccc(F)cc1)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461989 667838044 /nfs/dbraw/zinc/83/80/44/667838044.db2.gz ZOXUFUGGTZIBQL-UHFFFAOYSA-N 2 1 352.454 0.548 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[C@H]1C[NH3+] ZINC000923492865 667841195 /nfs/dbraw/zinc/84/11/95/667841195.db2.gz QMNLREBLSKDHJB-ILXRZTDVSA-N 2 1 361.552 0.905 10 0 FCAEMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)S(C)(=O)=O ZINC000923498901 667841976 /nfs/dbraw/zinc/84/19/76/667841976.db2.gz QRKKSHGTQBBOIA-GJZGRUSLSA-N 2 1 362.540 0.079 10 0 FCAEMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000760293568 667843652 /nfs/dbraw/zinc/84/36/52/667843652.db2.gz ZNYZKPONCUIIHC-OAHLLOKOSA-N 2 1 355.552 0.441 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000760293568 667843655 /nfs/dbraw/zinc/84/36/55/667843655.db2.gz ZNYZKPONCUIIHC-OAHLLOKOSA-N 2 1 355.552 0.441 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000775817927 668232804 /nfs/dbraw/zinc/23/28/04/668232804.db2.gz VSYXRDJHNNMUNH-JYJNAYRXSA-N 2 1 354.495 0.996 10 0 FCAEMP CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000805827742 668789376 /nfs/dbraw/zinc/78/93/76/668789376.db2.gz OMHZAFKKRNODTB-INIZCTEOSA-N 2 1 352.479 0.940 10 0 FCAEMP CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000805827742 668789378 /nfs/dbraw/zinc/78/93/78/668789378.db2.gz OMHZAFKKRNODTB-INIZCTEOSA-N 2 1 352.479 0.940 10 0 FCAEMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867392695 671032880 /nfs/dbraw/zinc/03/28/80/671032880.db2.gz ROGPUORVOGIJRN-IAGOWNOFSA-N 2 1 350.507 0.729 10 0 FCAEMP CCN1C[C@H](C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)OC1=O ZINC000846824810 671152043 /nfs/dbraw/zinc/15/20/43/671152043.db2.gz PPHACWKVRYFONA-INIZCTEOSA-N 2 1 352.479 0.703 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554862 671352237 /nfs/dbraw/zinc/35/22/37/671352237.db2.gz ONLAVYAGQUJBSY-IAGOWNOFSA-N 2 1 351.495 0.540 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554862 671352241 /nfs/dbraw/zinc/35/22/41/671352241.db2.gz ONLAVYAGQUJBSY-IAGOWNOFSA-N 2 1 351.495 0.540 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849554862 671352245 /nfs/dbraw/zinc/35/22/45/671352245.db2.gz ONLAVYAGQUJBSY-IAGOWNOFSA-N 2 1 351.495 0.540 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849593629 671353657 /nfs/dbraw/zinc/35/36/57/671353657.db2.gz QPCCMWKTWSWPDC-IKGGRYGDSA-N 2 1 351.495 0.273 10 0 FCAEMP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000903563735 675945526 /nfs/dbraw/zinc/94/55/26/675945526.db2.gz KRDPTCVRRQEPIR-UHFFFAOYSA-N 2 1 366.531 0.605 10 0 FCAEMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903716091 675963244 /nfs/dbraw/zinc/96/32/44/675963244.db2.gz QVFPROSRQNQIFT-STQMWFEESA-N 2 1 364.412 0.525 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903724468 675964135 /nfs/dbraw/zinc/96/41/35/675964135.db2.gz RVSNAXBYGIPXFM-QJPTWQEYSA-N 2 1 350.385 0.135 10 0 FCAEMP 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673897787 /nfs/dbraw/zinc/89/77/87/673897787.db2.gz FAVUIKAOMFWYCX-CVEARBPZSA-N 2 1 359.536 0.667 10 0 FCAEMP COCCOCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928071833 673897792 /nfs/dbraw/zinc/89/77/92/673897792.db2.gz FAVUIKAOMFWYCX-CVEARBPZSA-N 2 1 359.536 0.667 10 0 FCAEMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1=O ZINC000928090652 673899398 /nfs/dbraw/zinc/89/93/98/673899398.db2.gz BTXWUSHWAHVUOZ-QLFBSQMISA-N 2 1 354.520 0.093 10 0 FCAEMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929427301 673955961 /nfs/dbraw/zinc/95/59/61/673955961.db2.gz HIKCSIRDCTZGDI-KZNAEPCWSA-N 2 1 355.523 0.379 10 0 FCAEMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929508477 673960186 /nfs/dbraw/zinc/96/01/86/673960186.db2.gz VZGDCIOOJSFXOD-LVQVYYBASA-N 2 1 366.531 0.425 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929508477 673960189 /nfs/dbraw/zinc/96/01/89/673960189.db2.gz VZGDCIOOJSFXOD-LVQVYYBASA-N 2 1 366.531 0.425 10 0 FCAEMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929508477 673960190 /nfs/dbraw/zinc/96/01/90/673960190.db2.gz VZGDCIOOJSFXOD-LVQVYYBASA-N 2 1 366.531 0.425 10 0 FCAEMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929508477 673960193 /nfs/dbraw/zinc/96/01/93/673960193.db2.gz VZGDCIOOJSFXOD-LVQVYYBASA-N 2 1 366.531 0.425 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929693691 673972224 /nfs/dbraw/zinc/97/22/24/673972224.db2.gz CUWIOQACBSFJOE-CVEARBPZSA-N 2 1 350.507 0.920 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000929745357 673974607 /nfs/dbraw/zinc/97/46/07/673974607.db2.gz OIOZKSFOLDYZLH-BPLDGKMQSA-N 2 1 352.504 0.035 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1)[NH+]1CC[C@]2(CCOC2)C1 ZINC000929827282 673979552 /nfs/dbraw/zinc/97/95/52/673979552.db2.gz RRIPJZNESNHHFI-QRQLOZEOSA-N 2 1 351.491 0.716 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@@]2(CCOC2)C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000929827282 673979553 /nfs/dbraw/zinc/97/95/53/673979553.db2.gz RRIPJZNESNHHFI-QRQLOZEOSA-N 2 1 351.491 0.716 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@@]2(CCOC2)C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000929827282 673979554 /nfs/dbraw/zinc/97/95/54/673979554.db2.gz RRIPJZNESNHHFI-QRQLOZEOSA-N 2 1 351.491 0.716 10 0 FCAEMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000929866916 673981370 /nfs/dbraw/zinc/98/13/70/673981370.db2.gz JHWRSCYXJANXJK-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929866916 673981372 /nfs/dbraw/zinc/98/13/72/673981372.db2.gz JHWRSCYXJANXJK-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929866916 673981374 /nfs/dbraw/zinc/98/13/74/673981374.db2.gz JHWRSCYXJANXJK-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929866916 673981376 /nfs/dbraw/zinc/98/13/76/673981376.db2.gz JHWRSCYXJANXJK-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929866916 673981378 /nfs/dbraw/zinc/98/13/78/673981378.db2.gz JHWRSCYXJANXJK-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000929947907 673987040 /nfs/dbraw/zinc/98/70/40/673987040.db2.gz JMNZLKKDPTYXGW-OAHLLOKOSA-N 2 1 356.511 0.260 10 0 FCAEMP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CCCC1 ZINC000929996984 673991269 /nfs/dbraw/zinc/99/12/69/673991269.db2.gz URYAJIRTPPAPGX-CVEARBPZSA-N 2 1 368.547 0.673 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CCCC1 ZINC000929996984 673991270 /nfs/dbraw/zinc/99/12/70/673991270.db2.gz URYAJIRTPPAPGX-CVEARBPZSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CCCC1 ZINC000929996984 673991271 /nfs/dbraw/zinc/99/12/71/673991271.db2.gz URYAJIRTPPAPGX-CVEARBPZSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1CCCC1 ZINC000929996984 673991272 /nfs/dbraw/zinc/99/12/72/673991272.db2.gz URYAJIRTPPAPGX-CVEARBPZSA-N 2 1 368.547 0.673 10 0 FCAEMP C[C@@H](O)[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000930059490 673995696 /nfs/dbraw/zinc/99/56/96/673995696.db2.gz DKKYYUCAEGQIFQ-QXDIGNSFSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)CNC(=O)C[NH+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000930059490 673995698 /nfs/dbraw/zinc/99/56/98/673995698.db2.gz DKKYYUCAEGQIFQ-QXDIGNSFSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@@H](O)[C@@H]1CCC[N@H+]([C@@H](C)CNC(=O)C[NH+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000930059490 673995700 /nfs/dbraw/zinc/99/57/00/673995700.db2.gz DKKYYUCAEGQIFQ-QXDIGNSFSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@@H](O)C[C@H]1CCC[NH+]1[C@@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000930082306 673996784 /nfs/dbraw/zinc/99/67/84/673996784.db2.gz WOJGZWQXIBDJHK-IECFSIQFSA-N 2 1 355.523 0.962 10 0 FCAEMP C[C@@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)CNC(=O)C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000930082306 673996785 /nfs/dbraw/zinc/99/67/85/673996785.db2.gz WOJGZWQXIBDJHK-IECFSIQFSA-N 2 1 355.523 0.962 10 0 FCAEMP C[C@@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)CNC(=O)C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000930082306 673996787 /nfs/dbraw/zinc/99/67/87/673996787.db2.gz WOJGZWQXIBDJHK-IECFSIQFSA-N 2 1 355.523 0.962 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000901134764 675762421 /nfs/dbraw/zinc/76/24/21/675762421.db2.gz NMBQKLAFWRMVHD-SFHVURJKSA-N 2 1 354.539 0.756 10 0 FCAEMP CC[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000902323300 675846458 /nfs/dbraw/zinc/84/64/58/675846458.db2.gz CDPUTAVZHQEAHZ-OAHLLOKOSA-N 3 1 355.483 0.195 10 0 FCAEMP CC[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000902323300 675846461 /nfs/dbraw/zinc/84/64/61/675846461.db2.gz CDPUTAVZHQEAHZ-OAHLLOKOSA-N 3 1 355.483 0.195 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897483364 1192181932 /nfs/dbraw/zinc/18/19/32/1192181932.db2.gz AQRYYLPTXZMQIU-HOTGVXAUSA-N 2 1 371.485 0.719 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001719580279 1168431621 /nfs/dbraw/zinc/43/16/21/1168431621.db2.gz BABGAOJDPMIFRZ-SJORKVTESA-N 2 1 352.523 0.975 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001719580279 1168431627 /nfs/dbraw/zinc/43/16/27/1168431627.db2.gz BABGAOJDPMIFRZ-SJORKVTESA-N 2 1 352.523 0.975 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001719580279 1168431632 /nfs/dbraw/zinc/43/16/32/1168431632.db2.gz BABGAOJDPMIFRZ-SJORKVTESA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001482924892 1192434161 /nfs/dbraw/zinc/43/41/61/1192434161.db2.gz LBDWOSYLDOUOSD-JKSUJKDBSA-N 2 1 354.495 0.014 10 0 FCAEMP 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10 0 FCAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000933744650 1170886756 /nfs/dbraw/zinc/88/67/56/1170886756.db2.gz NRTGZONESRVKPZ-APWZRJJASA-N 2 1 358.490 0.399 10 0 FCAEMP Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCOCC[NH+](C)C ZINC001707915332 1171373059 /nfs/dbraw/zinc/37/30/59/1171373059.db2.gz MQUCZXXQFYNXBC-KRWDZBQOSA-N 2 1 366.510 0.466 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001267195677 1172106240 /nfs/dbraw/zinc/10/62/40/1172106240.db2.gz JRHBNCQVUPGGLW-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001267195677 1172106261 /nfs/dbraw/zinc/10/62/61/1172106261.db2.gz JRHBNCQVUPGGLW-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001267195677 1172106284 /nfs/dbraw/zinc/10/62/84/1172106284.db2.gz JRHBNCQVUPGGLW-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP 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CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2CC)[C@@H](C)C1 ZINC000897721598 1192842750 /nfs/dbraw/zinc/84/27/50/1192842750.db2.gz KAMQZQWBZQRSMG-ULQDDVLXSA-N 2 1 368.522 0.450 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2CC)[C@@H](C)C1 ZINC000897721598 1192842752 /nfs/dbraw/zinc/84/27/52/1192842752.db2.gz KAMQZQWBZQRSMG-ULQDDVLXSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000897939562 1192852092 /nfs/dbraw/zinc/85/20/92/1192852092.db2.gz MUGNUAUVCCJKEZ-ZACQAIPSSA-N 2 1 366.506 0.081 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000897919671 1192851128 /nfs/dbraw/zinc/85/11/28/1192851128.db2.gz POIHCZAGOXSPMA-MSOLQXFVSA-N 2 1 374.485 0.080 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000897919671 1192851129 /nfs/dbraw/zinc/85/11/29/1192851129.db2.gz POIHCZAGOXSPMA-MSOLQXFVSA-N 2 1 374.485 0.080 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)N2CCC(N(CCO)C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001719657173 1179107766 /nfs/dbraw/zinc/10/77/66/1179107766.db2.gz WOJNXEWBPVDHAG-NVXWUHKLSA-N 2 1 368.522 0.090 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001268155825 1186552425 /nfs/dbraw/zinc/55/24/25/1186552425.db2.gz KDXWDLYZSCGHPU-OWCLPIDISA-N 2 1 363.510 0.801 10 0 FCAEMP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268481188 1187548946 /nfs/dbraw/zinc/54/89/46/1187548946.db2.gz WWKNOKMVYMDLHA-MSOLQXFVSA-N 2 1 360.502 0.858 10 0 FCAEMP CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268594022 1187674607 /nfs/dbraw/zinc/67/46/07/1187674607.db2.gz KAFZIHVCAQXZQX-JKCVZHOFSA-N 2 1 358.486 0.730 10 0 FCAEMP C[C@@H](C[NH2+]CCn1cnc2ccccc2c1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268686619 1187760357 /nfs/dbraw/zinc/76/03/57/1187760357.db2.gz JKBGCHUDLUIBMY-ARFHVFGLSA-N 2 1 371.485 0.831 10 0 FCAEMP 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CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896042879 1189924777 /nfs/dbraw/zinc/92/47/77/1189924777.db2.gz LQMUQEORCGKUSY-LJQANCHMSA-N 3 1 366.550 0.972 10 0 FCAEMP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001271860616 1190734351 /nfs/dbraw/zinc/73/43/51/1190734351.db2.gz NVHYQKMLECBKPU-YCCFLXJFSA-N 2 1 359.474 0.948 10 0 FCAEMP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001271860616 1190734354 /nfs/dbraw/zinc/73/43/54/1190734354.db2.gz NVHYQKMLECBKPU-YCCFLXJFSA-N 2 1 359.474 0.948 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3nccn3C)CC2)CC[N@H+]1C ZINC001271912138 1190758079 /nfs/dbraw/zinc/75/80/79/1190758079.db2.gz NNKWOFHFPGOSGU-NVXWUHKLSA-N 2 1 362.522 0.431 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NCc3nccn3C)CC2)CC[N@@H+]1C ZINC001271912138 1190758086 /nfs/dbraw/zinc/75/80/86/1190758086.db2.gz NNKWOFHFPGOSGU-NVXWUHKLSA-N 2 1 362.522 0.431 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NCc3nccn3C)CC2)CC[N@H+]1C ZINC001271912138 1190758090 /nfs/dbraw/zinc/75/80/90/1190758090.db2.gz NNKWOFHFPGOSGU-NVXWUHKLSA-N 2 1 362.522 0.431 10 0 FCAEMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897355727 1190783173 /nfs/dbraw/zinc/78/31/73/1190783173.db2.gz CJCMRSAEEFCAIT-RBUKOAKNSA-N 2 1 359.470 0.590 10 0 FCAEMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897458466 1191196961 /nfs/dbraw/zinc/19/69/61/1191196961.db2.gz BOAMMXLKQXORPL-TZIWHRDSSA-N 2 1 373.497 0.803 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000550785385 1193792737 /nfs/dbraw/zinc/79/27/37/1193792737.db2.gz NADXFIGVVKEWOG-KRWDZBQOSA-N 2 1 368.522 0.452 10 0 FCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000551094426 1193832792 /nfs/dbraw/zinc/83/27/92/1193832792.db2.gz YEFFDASCNZWVDO-UHFFFAOYSA-N 2 1 360.502 0.961 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000552941246 1193960461 /nfs/dbraw/zinc/96/04/61/1193960461.db2.gz ZSQDQGKJUAYLLQ-NPYXIHBLSA-N 2 1 366.506 0.345 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000552941246 1193960466 /nfs/dbraw/zinc/96/04/66/1193960466.db2.gz ZSQDQGKJUAYLLQ-NPYXIHBLSA-N 2 1 366.506 0.345 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000553733968 1194017374 /nfs/dbraw/zinc/01/73/74/1194017374.db2.gz UDJYATCXHCDAHF-KRWDZBQOSA-N 2 1 366.506 0.158 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000907835252 1195714315 /nfs/dbraw/zinc/71/43/15/1195714315.db2.gz FSBHKNSGIUOOGC-IBGZPJMESA-N 2 1 360.458 0.315 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CCC[C@H]3C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000908350040 1195740307 /nfs/dbraw/zinc/74/03/07/1195740307.db2.gz UNMGBGPIQKHYET-VUQDICHWSA-N 2 1 374.529 0.728 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000908350040 1195740314 /nfs/dbraw/zinc/74/03/14/1195740314.db2.gz UNMGBGPIQKHYET-VUQDICHWSA-N 2 1 374.529 0.728 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000908350040 1195740318 /nfs/dbraw/zinc/74/03/18/1195740318.db2.gz UNMGBGPIQKHYET-VUQDICHWSA-N 2 1 374.529 0.728 10 0 FCAEMP CC[NH+]1CCC(N2CCCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000911190530 1195906973 /nfs/dbraw/zinc/90/69/73/1195906973.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 2 1 366.550 0.852 10 0 FCAEMP CCN1CCC([N@@H+]2CCCN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)CC2)CC1 ZINC000911190530 1195906976 /nfs/dbraw/zinc/90/69/76/1195906976.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 2 1 366.550 0.852 10 0 FCAEMP CCN1CCC([N@H+]2CCCN(C(=O)C[C@@]3(O)CCC[NH+](C)C3)CC2)CC1 ZINC000911190530 1195906978 /nfs/dbraw/zinc/90/69/78/1195906978.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 2 1 366.550 0.852 10 0 FCAEMP CCN1CCC([NH+]2CCCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000911190530 1195906982 /nfs/dbraw/zinc/90/69/82/1195906982.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 3 1 366.550 0.852 10 0 FCAEMP CCN1CCC([NH+]2CCCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000911190530 1195906985 /nfs/dbraw/zinc/90/69/85/1195906985.db2.gz KCTJANUFJKAODS-FQEVSTJZSA-N 3 1 366.550 0.852 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000911874336 1196317792 /nfs/dbraw/zinc/31/77/92/1196317792.db2.gz YEHSHHPLOGTSIZ-UHFFFAOYSA-N 2 1 367.538 0.025 10 0 FCAEMP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912723445 1196360580 /nfs/dbraw/zinc/36/05/80/1196360580.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000912723445 1196360587 /nfs/dbraw/zinc/36/05/87/1196360587.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000912723445 1196360592 /nfs/dbraw/zinc/36/05/92/1196360592.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000912723445 1196360597 /nfs/dbraw/zinc/36/05/97/1196360597.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912723445 1196360604 /nfs/dbraw/zinc/36/06/04/1196360604.db2.gz GVNCWFVDUGTTDR-FPOVZHCZSA-N 2 1 374.529 0.766 10 0 FCAEMP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912723447 1196361530 /nfs/dbraw/zinc/36/15/30/1196361530.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000912723447 1196361536 /nfs/dbraw/zinc/36/15/36/1196361536.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000912723447 1196361541 /nfs/dbraw/zinc/36/15/41/1196361541.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000912723447 1196361548 /nfs/dbraw/zinc/36/15/48/1196361548.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912723447 1196361552 /nfs/dbraw/zinc/36/15/52/1196361552.db2.gz GVNCWFVDUGTTDR-TZIWHRDSSA-N 2 1 374.529 0.766 10 0 FCAEMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000914017686 1197201760 /nfs/dbraw/zinc/20/17/60/1197201760.db2.gz IZUCWLIYGGTIFU-SFHVURJKSA-N 2 1 367.538 0.565 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000914017686 1197201773 /nfs/dbraw/zinc/20/17/73/1197201773.db2.gz IZUCWLIYGGTIFU-SFHVURJKSA-N 2 1 367.538 0.565 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000914017686 1197201781 /nfs/dbraw/zinc/20/17/81/1197201781.db2.gz IZUCWLIYGGTIFU-SFHVURJKSA-N 2 1 367.538 0.565 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000914028730 1197207737 /nfs/dbraw/zinc/20/77/37/1197207737.db2.gz BKNNKSSUXDBPTR-CRAIPNDOSA-N 2 1 373.501 0.966 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000914028730 1197207739 /nfs/dbraw/zinc/20/77/39/1197207739.db2.gz BKNNKSSUXDBPTR-CRAIPNDOSA-N 2 1 373.501 0.966 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000793815914 1201269880 /nfs/dbraw/zinc/26/98/80/1201269880.db2.gz VNVDLPJQEJTDRH-DLBZAZTESA-N 2 1 366.506 0.204 10 0 FCAEMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810584542 1202949402 /nfs/dbraw/zinc/94/94/02/1202949402.db2.gz DJRLZUZCXCIGQP-HNAYVOBHSA-N 2 1 368.497 0.964 10 0 FCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810584541 1202949493 /nfs/dbraw/zinc/94/94/93/1202949493.db2.gz DJRLZUZCXCIGQP-DNVCBOLYSA-N 2 1 368.497 0.964 10 0 FCAEMP CN(C[C@@H](O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751108 1203235813 /nfs/dbraw/zinc/23/58/13/1203235813.db2.gz SWFBTSCUNNLUIN-DLBZAZTESA-N 2 1 370.538 0.926 10 0 FCAEMP CN(C[C@@H](O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC000822751109 1203236085 /nfs/dbraw/zinc/23/60/85/1203236085.db2.gz SWFBTSCUNNLUIN-IAGOWNOFSA-N 2 1 370.538 0.926 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000844189084 1203338817 /nfs/dbraw/zinc/33/88/17/1203338817.db2.gz IIARFAODJLCZTP-GOSISDBHSA-N 2 1 374.485 0.710 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000845958742 1204573597 /nfs/dbraw/zinc/57/35/97/1204573597.db2.gz DTGWTQYIZLIHPP-HUUCEWRRSA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000845958742 1204573600 /nfs/dbraw/zinc/57/36/00/1204573600.db2.gz DTGWTQYIZLIHPP-HUUCEWRRSA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001487584507 1208381710 /nfs/dbraw/zinc/38/17/10/1208381710.db2.gz WRASYZWMZOTCIR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001487584507 1208381713 /nfs/dbraw/zinc/38/17/13/1208381713.db2.gz WRASYZWMZOTCIR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001487584507 1208381716 /nfs/dbraw/zinc/38/17/16/1208381716.db2.gz WRASYZWMZOTCIR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC(N)=O)C1 ZINC001489071859 1208619408 /nfs/dbraw/zinc/61/94/08/1208619408.db2.gz OAINPDLTJCJOES-BZUAXINKSA-N 2 1 354.495 0.189 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC(N)=O)C1 ZINC001489071859 1208619412 /nfs/dbraw/zinc/61/94/12/1208619412.db2.gz OAINPDLTJCJOES-BZUAXINKSA-N 2 1 354.495 0.189 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1CC)[NH+](C)C ZINC001489122515 1208632096 /nfs/dbraw/zinc/63/20/96/1208632096.db2.gz GSHJANQWMXUJEW-RRFJBIMHSA-N 2 1 352.479 0.445 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001489183018 1208651998 /nfs/dbraw/zinc/65/19/98/1208651998.db2.gz VBZOKTJLVBEGHS-SQNIBIBYSA-N 2 1 366.506 0.014 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001489183018 1208652003 /nfs/dbraw/zinc/65/20/03/1208652003.db2.gz VBZOKTJLVBEGHS-SQNIBIBYSA-N 2 1 366.506 0.014 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001489246193 1208685822 /nfs/dbraw/zinc/68/58/22/1208685822.db2.gz XJVVWMOXBSPNLI-YYIAUSFCSA-N 2 1 350.507 0.726 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001489246193 1208685824 /nfs/dbraw/zinc/68/58/24/1208685824.db2.gz XJVVWMOXBSPNLI-YYIAUSFCSA-N 2 1 350.507 0.726 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001489246193 1208685830 /nfs/dbraw/zinc/68/58/30/1208685830.db2.gz XJVVWMOXBSPNLI-YYIAUSFCSA-N 2 1 350.507 0.726 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001489291202 1208721443 /nfs/dbraw/zinc/72/14/43/1208721443.db2.gz VYLJAUGQGAGAHL-KGLIPLIRSA-N 2 1 367.494 0.095 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCN1C(=O)CNC1=O ZINC001489291202 1208721447 /nfs/dbraw/zinc/72/14/47/1208721447.db2.gz VYLJAUGQGAGAHL-KGLIPLIRSA-N 2 1 367.494 0.095 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCN1C(=O)CNC1=O ZINC001489291202 1208721450 /nfs/dbraw/zinc/72/14/50/1208721450.db2.gz VYLJAUGQGAGAHL-KGLIPLIRSA-N 2 1 367.494 0.095 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305415 1208739021 /nfs/dbraw/zinc/73/90/21/1208739021.db2.gz RTYDMXNLQHLSNB-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305415 1208739025 /nfs/dbraw/zinc/73/90/25/1208739025.db2.gz RTYDMXNLQHLSNB-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305415 1208739031 /nfs/dbraw/zinc/73/90/31/1208739031.db2.gz RTYDMXNLQHLSNB-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305415 1208739035 /nfs/dbraw/zinc/73/90/35/1208739035.db2.gz RTYDMXNLQHLSNB-MCIONIFRSA-N 2 1 355.483 0.141 10 0 FCAEMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)CC2 ZINC001489486270 1208886232 /nfs/dbraw/zinc/88/62/32/1208886232.db2.gz VZSOGMYARGMCGZ-FRFSOERESA-N 2 1 361.490 0.669 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001489535878 1208897212 /nfs/dbraw/zinc/89/72/12/1208897212.db2.gz ZSXBGRKYDODGMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1OC ZINC001489535878 1208897215 /nfs/dbraw/zinc/89/72/15/1208897215.db2.gz ZSXBGRKYDODGMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1OC ZINC001489535878 1208897216 /nfs/dbraw/zinc/89/72/16/1208897216.db2.gz ZSXBGRKYDODGMS-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]21 ZINC001489653528 1209040223 /nfs/dbraw/zinc/04/02/23/1209040223.db2.gz OPAOHOMUWKPJTE-QBPKDAKJSA-N 2 1 350.507 0.726 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001489653528 1209040227 /nfs/dbraw/zinc/04/02/27/1209040227.db2.gz OPAOHOMUWKPJTE-QBPKDAKJSA-N 2 1 350.507 0.726 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001489653528 1209040233 /nfs/dbraw/zinc/04/02/33/1209040233.db2.gz OPAOHOMUWKPJTE-QBPKDAKJSA-N 2 1 350.507 0.726 10 0 FCAEMP CCNC(=O)NC(=O)C[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490328913 1209320573 /nfs/dbraw/zinc/32/05/73/1209320573.db2.gz HBKCNOIEHZJKFR-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001490328913 1209320575 /nfs/dbraw/zinc/32/05/75/1209320575.db2.gz HBKCNOIEHZJKFR-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001490328913 1209320577 /nfs/dbraw/zinc/32/05/77/1209320577.db2.gz HBKCNOIEHZJKFR-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490363724 1209338115 /nfs/dbraw/zinc/33/81/15/1209338115.db2.gz BGFUQGAPMACQER-NXHRZFHOSA-N 2 1 364.534 0.881 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490363722 1209338286 /nfs/dbraw/zinc/33/82/86/1209338286.db2.gz BGFUQGAPMACQER-KBAYOESNSA-N 2 1 364.534 0.881 10 0 FCAEMP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000852708394 1209560224 /nfs/dbraw/zinc/56/02/24/1209560224.db2.gz ZTDAMSHMXVXNFP-APWZRJJASA-N 2 1 369.506 0.889 10 0 FCAEMP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000852708394 1209560226 /nfs/dbraw/zinc/56/02/26/1209560226.db2.gz ZTDAMSHMXVXNFP-APWZRJJASA-N 2 1 369.506 0.889 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852861999 1209568153 /nfs/dbraw/zinc/56/81/53/1209568153.db2.gz PNJDLAJQDNKOQO-HNNXBMFYSA-N 2 1 359.430 0.045 10 0 FCAEMP CN(C(=O)c1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000852870061 1209570325 /nfs/dbraw/zinc/57/03/25/1209570325.db2.gz AFSIEYWXBMJMQN-HOTGVXAUSA-N 2 1 373.457 0.895 10 0 FCAEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872760 1209571158 /nfs/dbraw/zinc/57/11/58/1209571158.db2.gz LXFXINHSUBQRTP-QGZVFWFLSA-N 3 1 365.522 0.745 10 0 FCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861571714 1209871728 /nfs/dbraw/zinc/87/17/28/1209871728.db2.gz GUBQYHFAFHXLJU-BMFZPTHFSA-N 2 1 367.494 0.683 10 0 FCAEMP CCC[N@@H+](CC)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861598539 1209871974 /nfs/dbraw/zinc/87/19/74/1209871974.db2.gz XRPPOGHZRIZHEX-CVEARBPZSA-N 2 1 367.494 0.685 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000861731217 1209877749 /nfs/dbraw/zinc/87/77/49/1209877749.db2.gz BIMJSGYMCQGWQU-MORSLUCNSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000861731217 1209877751 /nfs/dbraw/zinc/87/77/51/1209877751.db2.gz BIMJSGYMCQGWQU-MORSLUCNSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000861731216 1209877844 /nfs/dbraw/zinc/87/78/44/1209877844.db2.gz BIMJSGYMCQGWQU-JEBQAFNWSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000861731216 1209877846 /nfs/dbraw/zinc/87/78/46/1209877846.db2.gz BIMJSGYMCQGWQU-JEBQAFNWSA-N 2 1 374.485 0.895 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000861756172 1209880024 /nfs/dbraw/zinc/88/00/24/1209880024.db2.gz UNXKOXAWEDWHBT-IUODEOHRSA-N 2 1 356.430 0.449 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000862166538 1209898914 /nfs/dbraw/zinc/89/89/14/1209898914.db2.gz HQBGSRBRPDXRIC-ZDUSSCGKSA-N 2 1 362.478 0.472 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000862166538 1209898916 /nfs/dbraw/zinc/89/89/16/1209898916.db2.gz HQBGSRBRPDXRIC-ZDUSSCGKSA-N 2 1 362.478 0.472 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)CC1 ZINC000118763024 1209899163 /nfs/dbraw/zinc/89/91/63/1209899163.db2.gz GGVMPBCDROWKLM-UHFFFAOYSA-N 2 1 373.501 0.508 10 0 FCAEMP COC(=O)c1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)nc1 ZINC000863549659 1209944493 /nfs/dbraw/zinc/94/44/93/1209944493.db2.gz OMPJGJMZVFRQFW-CVEARBPZSA-N 2 1 360.414 0.625 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000865089385 1209970932 /nfs/dbraw/zinc/97/09/32/1209970932.db2.gz PGZTWBUZIXKBHI-YESZJQIVSA-N 2 1 368.522 0.674 10 0 FCAEMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)[C@H]1C ZINC000866707341 1210001937 /nfs/dbraw/zinc/00/19/37/1210001937.db2.gz IHFYOUIWYVLNQU-AOEXVQCMSA-N 2 1 364.490 0.794 10 0 FCAEMP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)[C@H]1C ZINC000866707341 1210001941 /nfs/dbraw/zinc/00/19/41/1210001941.db2.gz IHFYOUIWYVLNQU-AOEXVQCMSA-N 2 1 364.490 0.794 10 0 FCAEMP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709652 1210002705 /nfs/dbraw/zinc/00/27/05/1210002705.db2.gz UDXGEMYESVVZGV-DZUCGIPZSA-N 2 1 358.442 0.558 10 0 FCAEMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709652 1210002711 /nfs/dbraw/zinc/00/27/11/1210002711.db2.gz UDXGEMYESVVZGV-DZUCGIPZSA-N 2 1 358.442 0.558 10 0 FCAEMP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709996 1210002969 /nfs/dbraw/zinc/00/29/69/1210002969.db2.gz VPMJZAQVMBHIFR-NZPGVSJUSA-N 2 1 370.453 0.831 10 0 FCAEMP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709996 1210002970 /nfs/dbraw/zinc/00/29/70/1210002970.db2.gz VPMJZAQVMBHIFR-NZPGVSJUSA-N 2 1 370.453 0.831 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710372 1210003644 /nfs/dbraw/zinc/00/36/44/1210003644.db2.gz PTNHZWSMZDEXRK-LTIDMASMSA-N 2 1 356.426 0.659 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710372 1210003648 /nfs/dbraw/zinc/00/36/48/1210003648.db2.gz PTNHZWSMZDEXRK-LTIDMASMSA-N 2 1 356.426 0.659 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000866712270 1210004677 /nfs/dbraw/zinc/00/46/77/1210004677.db2.gz SBPJZPQVGDMMGX-WCXIOVBPSA-N 2 1 362.474 0.787 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000866712270 1210004683 /nfs/dbraw/zinc/00/46/83/1210004683.db2.gz SBPJZPQVGDMMGX-WCXIOVBPSA-N 2 1 362.474 0.787 10 0 FCAEMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@@H]1C ZINC000867618967 1210017961 /nfs/dbraw/zinc/01/79/61/1210017961.db2.gz BPMIDLLMRPEUJT-VVLHAWIVSA-N 2 1 366.506 0.107 10 0 FCAEMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@@H]1C ZINC000867618967 1210017963 /nfs/dbraw/zinc/01/79/63/1210017963.db2.gz BPMIDLLMRPEUJT-VVLHAWIVSA-N 2 1 366.506 0.107 10 0 FCAEMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@@H]1C ZINC000867618967 1210017965 /nfs/dbraw/zinc/01/79/65/1210017965.db2.gz BPMIDLLMRPEUJT-VVLHAWIVSA-N 2 1 366.506 0.107 10 0 FCAEMP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[C@@H]1C ZINC000867618967 1210017968 /nfs/dbraw/zinc/01/79/68/1210017968.db2.gz BPMIDLLMRPEUJT-VVLHAWIVSA-N 2 1 366.506 0.107 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCC4(CC3)CC[NH+](C)CC4)CC[C@H]21 ZINC000867798198 1210029433 /nfs/dbraw/zinc/02/94/33/1210029433.db2.gz BZKXXDMTOXNRHZ-DLBZAZTESA-N 2 1 362.518 0.873 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC[C@@H]21 ZINC000868308717 1210050979 /nfs/dbraw/zinc/05/09/79/1210050979.db2.gz CXHGNJSIUJLCNR-CJNGLKHVSA-N 2 1 360.433 0.963 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC[C@H]21 ZINC000868309863 1210051768 /nfs/dbraw/zinc/05/17/68/1210051768.db2.gz NOAWYLYDPUWDOX-NXHRZFHOSA-N 2 1 372.469 0.839 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])CC[C@@H]21 ZINC000868393638 1210061458 /nfs/dbraw/zinc/06/14/58/1210061458.db2.gz QLJHERBWMLMEKP-NJAFHUGGSA-N 2 1 356.470 0.624 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000868392155 1210061717 /nfs/dbraw/zinc/06/17/17/1210061717.db2.gz TVXLXKJQVWPUKS-ZJPYXAASSA-N 2 1 362.518 0.920 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC[N@@H+]1CCOC ZINC000868416727 1210063714 /nfs/dbraw/zinc/06/37/14/1210063714.db2.gz FYMSSTIJWIGQDM-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC[N@H+]1CCOC ZINC000868416727 1210063718 /nfs/dbraw/zinc/06/37/18/1210063718.db2.gz FYMSSTIJWIGQDM-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC[N@@H+]1CCOC ZINC000868416726 1210063901 /nfs/dbraw/zinc/06/39/01/1210063901.db2.gz FYMSSTIJWIGQDM-BRWVUGGUSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC[N@H+]1CCOC ZINC000868416726 1210063906 /nfs/dbraw/zinc/06/39/06/1210063906.db2.gz FYMSSTIJWIGQDM-BRWVUGGUSA-N 2 1 366.506 0.299 10 0 FCAEMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419160 1210064871 /nfs/dbraw/zinc/06/48/71/1210064871.db2.gz NAPRXNWETRVDHB-IAGOWNOFSA-N 2 1 362.474 0.913 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)CC[C@H]21 ZINC000868644916 1210070877 /nfs/dbraw/zinc/07/08/77/1210070877.db2.gz NHSCIUFJYHWWRK-DLBZAZTESA-N 2 1 365.522 0.714 10 0 FCAEMP CC(=O)N1CCN(C(=O)[C@@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000871784943 1210170194 /nfs/dbraw/zinc/17/01/94/1210170194.db2.gz BIXXXSFFJODTHG-OHRKKDJYSA-N 2 1 365.478 0.437 10 0 FCAEMP CC(=O)N1CCN(C(=O)[C@@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000871784943 1210170198 /nfs/dbraw/zinc/17/01/98/1210170198.db2.gz BIXXXSFFJODTHG-OHRKKDJYSA-N 2 1 365.478 0.437 10 0 FCAEMP COC(=O)c1ccc(OC)c2c1CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000872154447 1210173706 /nfs/dbraw/zinc/17/37/06/1210173706.db2.gz QEQYKUKMRQDKBZ-UHFFFAOYSA-N 2 1 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CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH+]3CCOCC3)cn2)CC1 ZINC000751331725 1220034342 /nfs/dbraw/zinc/03/43/42/1220034342.db2.gz AMTUMZOVKHIIJT-UHFFFAOYSA-N 2 1 361.490 0.562 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001491153834 1220088744 /nfs/dbraw/zinc/08/87/44/1220088744.db2.gz XVCFDINXUAAGKV-QLFBSQMISA-N 2 1 363.462 0.782 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)[C@@H](C)C(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001277397533 1226017244 /nfs/dbraw/zinc/01/72/44/1226017244.db2.gz NRLQMDZEOZQZCG-AEGPPILISA-N 2 1 367.494 0.223 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)[C@@H](C)C(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001277397533 1226017247 /nfs/dbraw/zinc/01/72/47/1226017247.db2.gz NRLQMDZEOZQZCG-AEGPPILISA-N 2 1 367.494 0.223 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)[C@@H](C)C(=O)NC(N)=O)CC2)CC[NH+]1C ZINC001277397533 1226017249 /nfs/dbraw/zinc/01/72/49/1226017249.db2.gz NRLQMDZEOZQZCG-AEGPPILISA-N 2 1 367.494 0.223 10 0 FCAEMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](Cc3ccncc3)C1)C2=O ZINC000782287807 1221142306 /nfs/dbraw/zinc/14/23/06/1221142306.db2.gz FMCUBWPTJDHXDF-INIZCTEOSA-N 2 1 357.458 0.920 10 0 FCAEMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](Cc3ccncc3)C1)C2=O ZINC000782287807 1221142309 /nfs/dbraw/zinc/14/23/09/1221142309.db2.gz FMCUBWPTJDHXDF-INIZCTEOSA-N 2 1 357.458 0.920 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC001118442980 1221779810 /nfs/dbraw/zinc/77/98/10/1221779810.db2.gz HOSAQEFCEBBFOF-ZIFCJYIRSA-N 2 1 363.506 0.371 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)c3cncn3C)CC2)CC1 ZINC001119522498 1221927139 /nfs/dbraw/zinc/92/71/39/1221927139.db2.gz IBRJFUQGEQJZGV-KRWDZBQOSA-N 2 1 363.506 0.766 10 0 FCAEMP CN1CC[NH+](CC2CCN(C(=O)N[C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)CC2)CC1 ZINC001123705116 1222352521 /nfs/dbraw/zinc/35/25/21/1222352521.db2.gz JFFSRIIAALGVNO-CEXWTWQISA-N 2 1 363.550 0.996 10 0 FCAEMP 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C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC001316796500 1263485524 /nfs/dbraw/zinc/48/55/24/1263485524.db2.gz LLVGOKNVDXQXTP-AEFFLSMTSA-N 2 1 370.497 0.978 10 0 FCAEMP Cc1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001484842510 1263488493 /nfs/dbraw/zinc/48/84/93/1263488493.db2.gz ZYYKVFRDPUHNED-SZVBFZGTSA-N 2 1 361.490 0.568 10 0 FCAEMP Cc1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC001484842510 1263488498 /nfs/dbraw/zinc/48/84/98/1263488498.db2.gz ZYYKVFRDPUHNED-SZVBFZGTSA-N 2 1 361.490 0.568 10 0 FCAEMP Cc1noc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)n1 ZINC001484864645 1263489912 /nfs/dbraw/zinc/48/99/12/1263489912.db2.gz WTEQOZPENBSOJM-TZMCWYRMSA-N 2 1 351.451 0.473 10 0 FCAEMP Cc1noc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)n1 ZINC001484864645 1263489919 /nfs/dbraw/zinc/48/99/19/1263489919.db2.gz WTEQOZPENBSOJM-TZMCWYRMSA-N 2 1 351.451 0.473 10 0 FCAEMP 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CC(C)OCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001566042250 1269571691 /nfs/dbraw/zinc/57/16/91/1269571691.db2.gz JRPMENXIARUXCM-FGTMMUONSA-N 2 1 353.507 0.912 10 0 FCAEMP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001566045355 1269576609 /nfs/dbraw/zinc/57/66/09/1269576609.db2.gz VSGHSAKYCXBHEJ-FGTMMUONSA-N 2 1 362.518 0.587 10 0 FCAEMP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001566103531 1269606056 /nfs/dbraw/zinc/60/60/56/1269606056.db2.gz NTPPHJVUXBIFJO-FMKPAKJESA-N 2 1 366.462 0.470 10 0 FCAEMP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001566103531 1269606062 /nfs/dbraw/zinc/60/60/62/1269606062.db2.gz NTPPHJVUXBIFJO-FMKPAKJESA-N 2 1 366.462 0.470 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCO[C@@H]1CCOC1 ZINC001566109173 1269611007 /nfs/dbraw/zinc/61/10/07/1269611007.db2.gz BKNHQRDUUIPTSP-ZACQAIPSSA-N 2 1 351.491 0.857 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001567016109 1269674352 /nfs/dbraw/zinc/67/43/52/1269674352.db2.gz CYBWMSKFDGOSIQ-HZSPNIEDSA-N 2 1 369.510 0.435 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001567016115 1269674536 /nfs/dbraw/zinc/67/45/36/1269674536.db2.gz CYBWMSKFDGOSIQ-MELADBBJSA-N 2 1 369.510 0.435 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001567016804 1269674618 /nfs/dbraw/zinc/67/46/18/1269674618.db2.gz NNKUPXDKAKRMNI-QJPTWQEYSA-N 2 1 352.401 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001567215968 1269680640 /nfs/dbraw/zinc/68/06/40/1269680640.db2.gz JTWCMVJBDRLXPJ-QLFBSQMISA-N 2 1 352.479 0.350 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCNC(=O)C2CC2)CC[N@H+]1C ZINC001567365405 1269690899 /nfs/dbraw/zinc/69/08/99/1269690899.db2.gz SNMAZVSMWOUCNM-YESZJQIVSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCNC(=O)C2CC2)CC[NH+]1C ZINC001567365405 1269690918 /nfs/dbraw/zinc/69/09/18/1269690918.db2.gz SNMAZVSMWOUCNM-YESZJQIVSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCNC(=O)C2CC2)CC[NH+]1C ZINC001567365405 1269690925 /nfs/dbraw/zinc/69/09/25/1269690925.db2.gz SNMAZVSMWOUCNM-YESZJQIVSA-N 2 1 350.507 0.824 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCNC(=O)NC(C)C)C1 ZINC001567937650 1269714696 /nfs/dbraw/zinc/71/46/96/1269714696.db2.gz OGZCQMHZQPJREH-BRWVUGGUSA-N 2 1 367.538 0.957 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC2CC2)C2CC2)CC[N@H+]1C ZINC001568019803 1269717544 /nfs/dbraw/zinc/71/75/44/1269717544.db2.gz IUWFZUGOIKWSOL-NRXGSXMXSA-N 2 1 350.507 0.727 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001568744041 1269746785 /nfs/dbraw/zinc/74/67/85/1269746785.db2.gz YCWZRLTXTMFKMK-DLBZAZTESA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1ncccn1 ZINC001568851796 1269750904 /nfs/dbraw/zinc/75/09/04/1269750904.db2.gz LTARNOXOLSAOPT-XCWUXJFVSA-N 2 1 360.462 0.406 10 0 FCAEMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1OC)[NH+](C)C ZINC001343115972 1269780127 /nfs/dbraw/zinc/78/01/27/1269780127.db2.gz VGGYBEUZSKRETO-ZOFXXKQRSA-N 2 1 368.522 0.399 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001569748618 1269799893 /nfs/dbraw/zinc/79/98/93/1269799893.db2.gz FQFQFAAGFJJIHY-CLCXKQKWSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001569748618 1269799904 /nfs/dbraw/zinc/79/99/04/1269799904.db2.gz FQFQFAAGFJJIHY-CLCXKQKWSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001569748618 1269799912 /nfs/dbraw/zinc/79/99/12/1269799912.db2.gz FQFQFAAGFJJIHY-CLCXKQKWSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001569748618 1269799920 /nfs/dbraw/zinc/79/99/20/1269799920.db2.gz FQFQFAAGFJJIHY-CLCXKQKWSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001569982551 1269826532 /nfs/dbraw/zinc/82/65/32/1269826532.db2.gz XEYHVPBJOHVAKQ-IIAWOOMASA-N 2 1 361.494 0.676 10 0 FCAEMP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)c1nncn1C ZINC001570301226 1269867244 /nfs/dbraw/zinc/86/72/44/1269867244.db2.gz OOQQFIFSENFWHJ-RBSFLKMASA-N 2 1 364.494 0.471 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001571257458 1269927662 /nfs/dbraw/zinc/92/76/62/1269927662.db2.gz OWRRJUNAARFTLU-YESZJQIVSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc3c(o2)CCCC3)CC[N@@H+]1C ZINC001571580065 1269938831 /nfs/dbraw/zinc/93/88/31/1269938831.db2.gz HYGNTHNPRNRWHR-RBSFLKMASA-N 2 1 364.490 0.803 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2nc3c(o2)CCCC3)CC[N@H+]1C ZINC001571580065 1269938837 /nfs/dbraw/zinc/93/88/37/1269938837.db2.gz HYGNTHNPRNRWHR-RBSFLKMASA-N 2 1 364.490 0.803 10 0 FCAEMP Cc1cc(C)n(CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001571601511 1269943848 /nfs/dbraw/zinc/94/38/48/1269943848.db2.gz MWBGOWLBQGFUQK-KZNAEPCWSA-N 2 1 365.522 0.591 10 0 FCAEMP Cc1cc(C)n(CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001571601511 1269943852 /nfs/dbraw/zinc/94/38/52/1269943852.db2.gz MWBGOWLBQGFUQK-KZNAEPCWSA-N 2 1 365.522 0.591 10 0 FCAEMP Cc1cc(C)n(CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001571601511 1269943856 /nfs/dbraw/zinc/94/38/56/1269943856.db2.gz MWBGOWLBQGFUQK-KZNAEPCWSA-N 2 1 365.522 0.591 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC001572330138 1270034444 /nfs/dbraw/zinc/03/44/44/1270034444.db2.gz GBBFQDZNEFGEJG-OWCLPIDISA-N 2 1 368.522 0.184 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001343877759 1270039585 /nfs/dbraw/zinc/03/95/85/1270039585.db2.gz NREKENHIZGAGSD-BRWVUGGUSA-N 2 1 366.506 0.108 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001343877759 1270039591 /nfs/dbraw/zinc/03/95/91/1270039591.db2.gz NREKENHIZGAGSD-BRWVUGGUSA-N 2 1 366.506 0.108 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001344426614 1270176950 /nfs/dbraw/zinc/17/69/50/1270176950.db2.gz BGZFYFDQHTVEGK-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001344431490 1270179532 /nfs/dbraw/zinc/17/95/32/1270179532.db2.gz OFAIZIMIJHNDFL-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001345057348 1270314684 /nfs/dbraw/zinc/31/46/84/1270314684.db2.gz WQCRUALSECXRQE-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1OC ZINC001572970672 1270428687 /nfs/dbraw/zinc/42/86/87/1270428687.db2.gz WJAZCQTZKLECJJ-HZPDHXFCSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001572997598 1270474691 /nfs/dbraw/zinc/47/46/91/1270474691.db2.gz KLVDWWXXJZEFJQ-BBWFWOEESA-N 2 1 368.522 0.279 10 0 FCAEMP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001573197655 1270658618 /nfs/dbraw/zinc/65/86/18/1270658618.db2.gz CQOORUJGLWJKSK-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001573197655 1270658627 /nfs/dbraw/zinc/65/86/27/1270658627.db2.gz CQOORUJGLWJKSK-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001573197655 1270658636 /nfs/dbraw/zinc/65/86/36/1270658636.db2.gz CQOORUJGLWJKSK-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001573197655 1270658645 /nfs/dbraw/zinc/65/86/45/1270658645.db2.gz CQOORUJGLWJKSK-XHSDSOJGSA-N 2 1 354.495 0.060 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001573219193 1270690250 /nfs/dbraw/zinc/69/02/50/1270690250.db2.gz RDYAFTZQPGUYTP-QBPKDAKJSA-N 2 1 368.522 0.258 10 0 FCAEMP CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001573728612 1270862281 /nfs/dbraw/zinc/86/22/81/1270862281.db2.gz VGOSYRKTYLKACB-APWZRJJASA-N 2 1 361.490 0.840 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001573728612 1270862285 /nfs/dbraw/zinc/86/22/85/1270862285.db2.gz VGOSYRKTYLKACB-APWZRJJASA-N 2 1 361.490 0.840 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC001713191767 1287269987 /nfs/dbraw/zinc/26/99/87/1287269987.db2.gz NYFRMPTZLKLFLG-ARKGTOAJSA-N 2 1 359.536 0.634 10 0 FCAEMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713987449 1287308686 /nfs/dbraw/zinc/30/86/86/1287308686.db2.gz PVZXKKNMCPRWEY-XPABHHOTSA-N 2 1 360.462 0.381 10 0 FCAEMP COCCCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714067391 1287311990 /nfs/dbraw/zinc/31/19/90/1287311990.db2.gz PLAJDOGSRJOGDQ-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715325971 1287350114 /nfs/dbraw/zinc/35/01/14/1287350114.db2.gz DHMHVWPLJKMHIF-MGPQQGTHSA-N 2 1 369.510 0.387 10 0 FCAEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1CCF ZINC001715493892 1287352727 /nfs/dbraw/zinc/35/27/27/1287352727.db2.gz KQWRONPYHMUIIQ-RBSFLKMASA-N 2 1 354.474 0.818 10 0 FCAEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1CCF ZINC001715493892 1287352732 /nfs/dbraw/zinc/35/27/32/1287352732.db2.gz KQWRONPYHMUIIQ-RBSFLKMASA-N 2 1 354.474 0.818 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716032673 1287368626 /nfs/dbraw/zinc/36/86/26/1287368626.db2.gz YSNCWXGNTHMZLJ-RBSFLKMASA-N 2 1 369.510 0.245 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716032673 1287368629 /nfs/dbraw/zinc/36/86/29/1287368629.db2.gz YSNCWXGNTHMZLJ-RBSFLKMASA-N 2 1 369.510 0.245 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716032673 1287368632 /nfs/dbraw/zinc/36/86/32/1287368632.db2.gz YSNCWXGNTHMZLJ-RBSFLKMASA-N 2 1 369.510 0.245 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716032673 1287368635 /nfs/dbraw/zinc/36/86/35/1287368635.db2.gz YSNCWXGNTHMZLJ-RBSFLKMASA-N 2 1 369.510 0.245 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001716543029 1287383209 /nfs/dbraw/zinc/38/32/09/1287383209.db2.gz ZRBIREWQAACIGK-NVXWUHKLSA-N 2 1 371.489 0.941 10 0 FCAEMP 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O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001345546610 871404791 /nfs/dbraw/zinc/40/47/91/871404791.db2.gz FARZPSPXZYFOJE-NBOOPKSLSA-N 2 1 352.479 0.138 10 0 FCAEMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC001345546610 871404805 /nfs/dbraw/zinc/40/48/05/871404805.db2.gz FARZPSPXZYFOJE-NBOOPKSLSA-N 2 1 352.479 0.138 10 0 FCAEMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC001345546610 871404810 /nfs/dbraw/zinc/40/48/10/871404810.db2.gz FARZPSPXZYFOJE-NBOOPKSLSA-N 2 1 352.479 0.138 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001345578147 871419915 /nfs/dbraw/zinc/41/99/15/871419915.db2.gz DOVDBHCYGXMDBL-PMPSAXMXSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CS1(=O)=O ZINC001328837135 871657854 /nfs/dbraw/zinc/65/78/54/871657854.db2.gz LAYUZCOKMQBPCJ-RDJZCZTQSA-N 2 1 359.536 0.338 10 0 FCAEMP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346607750 871931492 /nfs/dbraw/zinc/93/14/92/871931492.db2.gz WJFFDXAXLPKQMC-GVDBMIGSSA-N 2 1 355.527 0.373 10 0 FCAEMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001347216280 872228518 /nfs/dbraw/zinc/22/85/18/872228518.db2.gz FUBLEWROLCGIDQ-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H](O)[C@@H]1C[N@@H+](CC[Si](C)(C)CC[NH+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823696 872285772 /nfs/dbraw/zinc/28/57/72/872285772.db2.gz CVEDOAYYCGHMDA-MHORFTMASA-N 2 1 374.598 0.858 10 0 FCAEMP C[C@@H](O)[C@@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823696 872285787 /nfs/dbraw/zinc/28/57/87/872285787.db2.gz CVEDOAYYCGHMDA-MHORFTMASA-N 2 1 374.598 0.858 10 0 FCAEMP C[C@@H](O)[C@@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2CCO[C@H]([C@H](C)O)C2)CCO1 ZINC001329823696 872285803 /nfs/dbraw/zinc/28/58/03/872285803.db2.gz CVEDOAYYCGHMDA-MHORFTMASA-N 2 1 374.598 0.858 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001347704933 872467128 /nfs/dbraw/zinc/46/71/28/872467128.db2.gz LVUWMWHBCZNWND-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001347704933 872467149 /nfs/dbraw/zinc/46/71/49/872467149.db2.gz LVUWMWHBCZNWND-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001347704933 872467169 /nfs/dbraw/zinc/46/71/69/872467169.db2.gz LVUWMWHBCZNWND-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H]1C(F)(F)F ZINC001348822533 872803091 /nfs/dbraw/zinc/80/30/91/872803091.db2.gz WYLGEWNIYNEQMB-FRRDWIJNSA-N 2 1 362.396 0.279 10 0 FCAEMP CCc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331710438 873208673 /nfs/dbraw/zinc/20/86/73/873208673.db2.gz AUKMJQBHKRRHOG-GRDNDAEWSA-N 2 1 352.479 0.842 10 0 FCAEMP CCc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001331710438 873208681 /nfs/dbraw/zinc/20/86/81/873208681.db2.gz AUKMJQBHKRRHOG-GRDNDAEWSA-N 2 1 352.479 0.842 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CC2CCOCC2)CC[N@H+]1C ZINC001332634151 873590155 /nfs/dbraw/zinc/59/01/55/873590155.db2.gz WNHMYPPZAPYSNS-OKZBNKHCSA-N 2 1 355.523 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC2CCOCC2)CC[NH+]1C ZINC001332634151 873590162 /nfs/dbraw/zinc/59/01/62/873590162.db2.gz WNHMYPPZAPYSNS-OKZBNKHCSA-N 2 1 355.523 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC2CCOCC2)CC[NH+]1C ZINC001332634151 873590167 /nfs/dbraw/zinc/59/01/67/873590167.db2.gz WNHMYPPZAPYSNS-OKZBNKHCSA-N 2 1 355.523 0.894 10 0 FCAEMP C([C@H]1COCCO1)[NH+]1CCCC2(CCC[N@@H+](C[C@H]3COCCO3)C2)C1 ZINC000930511394 674033023 /nfs/dbraw/zinc/03/30/23/674033023.db2.gz IAXKVMYQJADXES-ADUPEVMXSA-N 2 1 354.491 0.995 10 0 FCAEMP C([C@H]1COCCO1)[NH+]1CCCC2(CCC[N@H+](C[C@H]3COCCO3)C2)C1 ZINC000930511394 674033028 /nfs/dbraw/zinc/03/30/28/674033028.db2.gz IAXKVMYQJADXES-ADUPEVMXSA-N 2 1 354.491 0.995 10 0 FCAEMP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+](C)C ZINC000930718983 674051083 /nfs/dbraw/zinc/05/10/83/674051083.db2.gz UESAYQRPNGDYFE-HOTGVXAUSA-N 2 1 354.495 0.202 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000333696318 215310582 /nfs/dbraw/zinc/31/05/82/215310582.db2.gz QHEAGPKKPLZNBJ-MSOLQXFVSA-N 2 1 367.538 0.565 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333866778 215326200 /nfs/dbraw/zinc/32/62/00/215326200.db2.gz AYJBHHWRNQLUOE-OWCLPIDISA-N 2 1 351.495 0.180 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000285791151 213396688 /nfs/dbraw/zinc/39/66/88/213396688.db2.gz GHVRSDLZGGYFPC-IAGOWNOFSA-N 2 1 355.442 0.869 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000285791151 213396690 /nfs/dbraw/zinc/39/66/90/213396690.db2.gz GHVRSDLZGGYFPC-IAGOWNOFSA-N 2 1 355.442 0.869 10 0 FCAEMP CC[NH+]1CC[C@H](NC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000334132215 215347257 /nfs/dbraw/zinc/34/72/57/215347257.db2.gz VGMUBRSWOOSQNE-ROUUACIJSA-N 2 1 367.538 0.517 10 0 FCAEMP CN(C(=O)C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284955074 213255835 /nfs/dbraw/zinc/25/58/35/213255835.db2.gz JWBJKIIMFFVYNO-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000284955074 213255839 /nfs/dbraw/zinc/25/58/39/213255839.db2.gz JWBJKIIMFFVYNO-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000284955074 213255841 /nfs/dbraw/zinc/25/58/41/213255841.db2.gz JWBJKIIMFFVYNO-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000245590815 209371603 /nfs/dbraw/zinc/37/16/03/209371603.db2.gz AZSLBPXIBSOGQI-SJORKVTESA-N 2 1 365.522 0.854 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000245590815 209371605 /nfs/dbraw/zinc/37/16/05/209371605.db2.gz AZSLBPXIBSOGQI-SJORKVTESA-N 2 1 365.522 0.854 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000236936063 209345984 /nfs/dbraw/zinc/34/59/84/209345984.db2.gz QPQNIAYHRIUQGT-DLBZAZTESA-N 2 1 350.507 0.907 10 0 FCAEMP CCN1CC[NH+](CCC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000369108563 216349469 /nfs/dbraw/zinc/34/94/69/216349469.db2.gz HSYKJJJUDDWWSP-LJQANCHMSA-N 2 1 365.566 0.643 10 0 FCAEMP CCN1CC[NH+](CCC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000369108563 216349472 /nfs/dbraw/zinc/34/94/72/216349472.db2.gz HSYKJJJUDDWWSP-LJQANCHMSA-N 2 1 365.566 0.643 10 0 FCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190340553 209270400 /nfs/dbraw/zinc/27/04/00/209270400.db2.gz FDZCKPZGIZFAID-LSDHHAIUSA-N 2 1 362.478 0.468 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000414931974 245332139 /nfs/dbraw/zinc/33/21/39/245332139.db2.gz SBPOLYDMOYXGIZ-INIZCTEOSA-N 2 1 362.474 0.650 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000414878100 245329595 /nfs/dbraw/zinc/32/95/95/245329595.db2.gz NIWSHFMXKIWPCB-MRXNPFEDSA-N 2 1 362.474 0.962 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000415347584 245397019 /nfs/dbraw/zinc/39/70/19/245397019.db2.gz CBAHKHAYDFUTML-LZWOXQAQSA-N 2 1 360.458 0.794 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000415347584 245397026 /nfs/dbraw/zinc/39/70/26/245397026.db2.gz CBAHKHAYDFUTML-LZWOXQAQSA-N 2 1 360.458 0.794 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(C)(C)O)C1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000931622599 674123488 /nfs/dbraw/zinc/12/34/88/674123488.db2.gz PUUASKLNKLJMMJ-OAGGEKHMSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(C)(C)O)C1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000931622599 674123490 /nfs/dbraw/zinc/12/34/90/674123490.db2.gz PUUASKLNKLJMMJ-OAGGEKHMSA-N 2 1 355.523 0.677 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419168921 246029853 /nfs/dbraw/zinc/02/98/53/246029853.db2.gz LNCJPVUSFRENTI-RBUKOAKNSA-N 2 1 372.513 0.926 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419225446 246064318 /nfs/dbraw/zinc/06/43/18/246064318.db2.gz PCKZOHUIKVLMGS-ZWKOTPCHSA-N 2 1 356.470 0.708 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419226270 246065241 /nfs/dbraw/zinc/06/52/41/246065241.db2.gz DIOZKUBHOCDHBA-RKVPGOIHSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419226270 246065247 /nfs/dbraw/zinc/06/52/47/246065247.db2.gz DIOZKUBHOCDHBA-RKVPGOIHSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419230496 246068336 /nfs/dbraw/zinc/06/83/36/246068336.db2.gz IUCDNJWBEFXLAI-YJBOKZPZSA-N 2 1 358.486 0.808 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419230496 246068337 /nfs/dbraw/zinc/06/83/37/246068337.db2.gz IUCDNJWBEFXLAI-YJBOKZPZSA-N 2 1 358.486 0.808 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419230493 246068760 /nfs/dbraw/zinc/06/87/60/246068760.db2.gz IUCDNJWBEFXLAI-CRAIPNDOSA-N 2 1 358.486 0.808 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419230493 246068765 /nfs/dbraw/zinc/06/87/65/246068765.db2.gz IUCDNJWBEFXLAI-CRAIPNDOSA-N 2 1 358.486 0.808 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419235407 246072209 /nfs/dbraw/zinc/07/22/09/246072209.db2.gz JLEPUTKOUXAKIB-MRXNPFEDSA-N 2 1 374.485 0.769 10 0 FCAEMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419330296 246101991 /nfs/dbraw/zinc/10/19/91/246101991.db2.gz IBGDWOFOJKIYHW-KBRIMQKVSA-N 2 1 357.458 0.153 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419330296 246101993 /nfs/dbraw/zinc/10/19/93/246101993.db2.gz IBGDWOFOJKIYHW-KBRIMQKVSA-N 2 1 357.458 0.153 10 0 FCAEMP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@H+]1CCO ZINC000419335263 246104217 /nfs/dbraw/zinc/10/42/17/246104217.db2.gz JVEBFJDPRWMIQW-AOIWGVFYSA-N 2 1 362.518 0.792 10 0 FCAEMP O=C(NCCN1CCc2ccccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000419390808 246128968 /nfs/dbraw/zinc/12/89/68/246128968.db2.gz JHVNOGLIVMTBRJ-HDICACEKSA-N 2 1 356.470 0.514 10 0 FCAEMP CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409199 246141654 /nfs/dbraw/zinc/14/16/54/246141654.db2.gz DVXWDWDQTNMGEM-DLBZAZTESA-N 2 1 362.474 0.247 10 0 FCAEMP CC[C@H](NC(=O)C(=O)NCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409199 246141658 /nfs/dbraw/zinc/14/16/58/246141658.db2.gz DVXWDWDQTNMGEM-DLBZAZTESA-N 2 1 362.474 0.247 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419504325 246184127 /nfs/dbraw/zinc/18/41/27/246184127.db2.gz GKNNPSAOJZOIOH-NXHRZFHOSA-N 2 1 358.486 0.739 10 0 FCAEMP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)[NH+]2CCCC2)o1 ZINC000419514252 246188596 /nfs/dbraw/zinc/18/85/96/246188596.db2.gz NWIKRUZBTUSELI-KBMXLJTQSA-N 2 1 362.474 0.955 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419547151 246199687 /nfs/dbraw/zinc/19/96/87/246199687.db2.gz QZKVPGOBACNEQH-WMLDXEAASA-N 2 1 362.474 0.550 10 0 FCAEMP [NH3+]CCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000419640579 246226563 /nfs/dbraw/zinc/22/65/63/246226563.db2.gz KSDRTSRKMRYACL-UHFFFAOYSA-N 2 1 372.391 0.861 10 0 FCAEMP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419644432 246229191 /nfs/dbraw/zinc/22/91/91/246229191.db2.gz OBTAXTFIPKGCTE-SFHVURJKSA-N 2 1 371.485 0.545 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000419755232 246282972 /nfs/dbraw/zinc/28/29/72/246282972.db2.gz CRFBZBGWBPWCLP-OAHLLOKOSA-N 2 1 364.465 0.880 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CCCCC1 ZINC000419822968 246307766 /nfs/dbraw/zinc/30/77/66/246307766.db2.gz PNFAGHURCDJVSV-QGZVFWFLSA-N 2 1 373.501 0.935 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939197 246377816 /nfs/dbraw/zinc/37/78/16/246377816.db2.gz YDTDTENUQPYSQT-ZBFHGGJFSA-N 2 1 362.474 0.106 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939197 246377822 /nfs/dbraw/zinc/37/78/22/246377822.db2.gz YDTDTENUQPYSQT-ZBFHGGJFSA-N 2 1 362.474 0.106 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423684695 247109393 /nfs/dbraw/zinc/10/93/93/247109393.db2.gz RUIGJKCQSKKKES-SFHVURJKSA-N 2 1 358.486 0.582 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000423684695 247109396 /nfs/dbraw/zinc/10/93/96/247109396.db2.gz RUIGJKCQSKKKES-SFHVURJKSA-N 2 1 358.486 0.582 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000423693180 247113081 /nfs/dbraw/zinc/11/30/81/247113081.db2.gz DVIQWIUIEZGJAP-NVXWUHKLSA-N 2 1 374.485 0.578 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000423693186 247114068 /nfs/dbraw/zinc/11/40/68/247114068.db2.gz DVIQWIUIEZGJAP-WBVHZDCISA-N 2 1 374.485 0.578 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423639869 247087103 /nfs/dbraw/zinc/08/71/03/247087103.db2.gz JRFYYZPAMUTGGZ-WMZOPIPTSA-N 2 1 371.485 0.499 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452388650 249317148 /nfs/dbraw/zinc/31/71/48/249317148.db2.gz JXFVRUUFJZJIRY-HXUWFJFHSA-N 2 1 374.529 0.767 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452388650 249317150 /nfs/dbraw/zinc/31/71/50/249317150.db2.gz JXFVRUUFJZJIRY-HXUWFJFHSA-N 2 1 374.529 0.767 10 0 FCAEMP NC(=O)NC1CC[NH+](Cc2ccc(C[N@@H+]3CCC(NC(N)=O)C3)cc2)C1 ZINC000270589497 211231562 /nfs/dbraw/zinc/23/15/62/211231562.db2.gz DXZCPKRZAVCLBM-HZPDHXFCSA-N 2 1 360.462 0.172 10 0 FCAEMP NC(=O)N[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](NC(N)=O)C3)cc2)C1 ZINC000270589497 211231570 /nfs/dbraw/zinc/23/15/70/211231570.db2.gz DXZCPKRZAVCLBM-HZPDHXFCSA-N 2 1 360.462 0.172 10 0 FCAEMP NC(=O)N[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)cc2)C1 ZINC000270589497 211231575 /nfs/dbraw/zinc/23/15/75/211231575.db2.gz DXZCPKRZAVCLBM-HZPDHXFCSA-N 2 1 360.462 0.172 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000471637597 250111778 /nfs/dbraw/zinc/11/17/78/250111778.db2.gz XVWLARGUIZLZEI-UHFFFAOYSA-N 2 1 364.490 0.896 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000931820557 674138792 /nfs/dbraw/zinc/13/87/92/674138792.db2.gz SGSWKBZCRZRGFK-ILXRZTDVSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000931820557 674138793 /nfs/dbraw/zinc/13/87/93/674138793.db2.gz SGSWKBZCRZRGFK-ILXRZTDVSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931820557 674138794 /nfs/dbraw/zinc/13/87/94/674138794.db2.gz SGSWKBZCRZRGFK-ILXRZTDVSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931820557 674138795 /nfs/dbraw/zinc/13/87/95/674138795.db2.gz SGSWKBZCRZRGFK-ILXRZTDVSA-N 2 1 368.547 0.671 10 0 FCAEMP CCn1cncc1S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000481865864 250367395 /nfs/dbraw/zinc/36/73/95/250367395.db2.gz MWMLNUXDIIRDEQ-HNNXBMFYSA-N 2 1 357.524 0.940 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000481878732 250371193 /nfs/dbraw/zinc/37/11/93/250371193.db2.gz ICCUHYLYLOARIP-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481878732 250371197 /nfs/dbraw/zinc/37/11/97/250371197.db2.gz ICCUHYLYLOARIP-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481878732 250371201 /nfs/dbraw/zinc/37/12/01/250371201.db2.gz ICCUHYLYLOARIP-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000072858122 208041992 /nfs/dbraw/zinc/04/19/92/208041992.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP CC[NH+](C)C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000072858122 208041998 /nfs/dbraw/zinc/04/19/98/208041998.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP CC[NH+](C)C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000072858122 208042003 /nfs/dbraw/zinc/04/20/03/208042003.db2.gz DXSSPGUUOUNMJX-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP COc1cc[nH+]c(N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000104717356 208183614 /nfs/dbraw/zinc/18/36/14/208183614.db2.gz VLCTZSMHWDTMKX-UHFFFAOYSA-N 2 1 373.501 0.955 10 0 FCAEMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163993 208216967 /nfs/dbraw/zinc/21/69/67/208216967.db2.gz FTWDDPROJVCPLY-AWEZNQCLSA-N 2 1 361.490 0.787 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000108572385 208247725 /nfs/dbraw/zinc/24/77/25/208247725.db2.gz MLUGURKTDSFWPP-QGZVFWFLSA-N 2 1 355.527 0.376 10 0 FCAEMP COCC[NH+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108572385 208247726 /nfs/dbraw/zinc/24/77/26/208247726.db2.gz MLUGURKTDSFWPP-QGZVFWFLSA-N 2 1 355.527 0.376 10 0 FCAEMP COCC[NH+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000108572385 208247730 /nfs/dbraw/zinc/24/77/30/208247730.db2.gz MLUGURKTDSFWPP-QGZVFWFLSA-N 2 1 355.527 0.376 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000187411678 229239828 /nfs/dbraw/zinc/23/98/28/229239828.db2.gz BLLPJDOADOPTEF-MRXNPFEDSA-N 2 1 356.511 0.585 10 0 FCAEMP C[C@@H]1C[NH+](CCCCC[N@H+]2CCN(CCO)[C@H](C)C2)CCN1CCO ZINC000187670381 229243881 /nfs/dbraw/zinc/24/38/81/229243881.db2.gz OBCQOGJZVLQOOC-RTBURBONSA-N 2 1 356.555 0.154 10 0 FCAEMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@]2(C)C1 ZINC000933737728 674271810 /nfs/dbraw/zinc/27/18/10/674271810.db2.gz BOVWJLXFFASISL-DYVFJYSZSA-N 2 1 366.487 0.546 10 0 FCAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@]2(C)C1 ZINC000933737728 674271813 /nfs/dbraw/zinc/27/18/13/674271813.db2.gz BOVWJLXFFASISL-DYVFJYSZSA-N 2 1 366.487 0.546 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000052527461 488170225 /nfs/dbraw/zinc/17/02/25/488170225.db2.gz XUIIGEUWKLNIHP-INIZCTEOSA-N 2 1 353.511 0.761 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000052527461 488170227 /nfs/dbraw/zinc/17/02/27/488170227.db2.gz XUIIGEUWKLNIHP-INIZCTEOSA-N 2 1 353.511 0.761 10 0 FCAEMP CC(C)C[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000072824030 488383105 /nfs/dbraw/zinc/38/31/05/488383105.db2.gz HNFOWDKRRCIEKF-GOSISDBHSA-N 2 1 354.539 0.733 10 0 FCAEMP CCCCNC(=O)NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182590862 488388744 /nfs/dbraw/zinc/38/87/44/488388744.db2.gz GJZSXULMEIEKDG-SJPCQFCGSA-N 2 1 365.522 0.855 10 0 FCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000185316677 488400394 /nfs/dbraw/zinc/40/03/94/488400394.db2.gz MEWYPBYQMGOOJU-JKSUJKDBSA-N 2 1 355.527 0.109 10 0 FCAEMP C[C@@H](O)CN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000185316677 488400395 /nfs/dbraw/zinc/40/03/95/488400395.db2.gz MEWYPBYQMGOOJU-JKSUJKDBSA-N 2 1 355.527 0.109 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185373123 488401117 /nfs/dbraw/zinc/40/11/17/488401117.db2.gz MSLSDFKLUHSJBQ-KRWDZBQOSA-N 2 1 369.554 0.813 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185373123 488401118 /nfs/dbraw/zinc/40/11/18/488401118.db2.gz MSLSDFKLUHSJBQ-KRWDZBQOSA-N 2 1 369.554 0.813 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185373123 488401121 /nfs/dbraw/zinc/40/11/21/488401121.db2.gz MSLSDFKLUHSJBQ-KRWDZBQOSA-N 2 1 369.554 0.813 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245407758 488463276 /nfs/dbraw/zinc/46/32/76/488463276.db2.gz CTTFUTKBPAMJJN-HOTGVXAUSA-N 2 1 354.495 0.047 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245407758 488463278 /nfs/dbraw/zinc/46/32/78/488463278.db2.gz CTTFUTKBPAMJJN-HOTGVXAUSA-N 2 1 354.495 0.047 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245407758 488463280 /nfs/dbraw/zinc/46/32/80/488463280.db2.gz CTTFUTKBPAMJJN-HOTGVXAUSA-N 2 1 354.495 0.047 10 0 FCAEMP CNC(=O)[C@@H]1CCCCN1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000245917194 488467390 /nfs/dbraw/zinc/46/73/90/488467390.db2.gz RYXCLKZBFBQQHJ-CVEARBPZSA-N 2 1 354.495 0.060 10 0 FCAEMP CNC(=O)[C@@H]1CCCCN1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000245917197 488467467 /nfs/dbraw/zinc/46/74/67/488467467.db2.gz RYXCLKZBFBQQHJ-HOTGVXAUSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000246891639 488477743 /nfs/dbraw/zinc/47/77/43/488477743.db2.gz RHGJGLSHJAEMCG-MSOLQXFVSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246891639 488477744 /nfs/dbraw/zinc/47/77/44/488477744.db2.gz RHGJGLSHJAEMCG-MSOLQXFVSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246891639 488477746 /nfs/dbraw/zinc/47/77/46/488477746.db2.gz RHGJGLSHJAEMCG-MSOLQXFVSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC000247354540 488484744 /nfs/dbraw/zinc/48/47/44/488484744.db2.gz LSBXNUBDUDBVQB-DLBZAZTESA-N 2 1 368.522 0.849 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC000247354540 488484746 /nfs/dbraw/zinc/48/47/46/488484746.db2.gz LSBXNUBDUDBVQB-DLBZAZTESA-N 2 1 368.522 0.849 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000247601712 488488598 /nfs/dbraw/zinc/48/85/98/488488598.db2.gz URUVGJAMRHYWMC-SJORKVTESA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000247601712 488488601 /nfs/dbraw/zinc/48/86/01/488488601.db2.gz URUVGJAMRHYWMC-SJORKVTESA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000247601712 488488603 /nfs/dbraw/zinc/48/86/03/488488603.db2.gz URUVGJAMRHYWMC-SJORKVTESA-N 2 1 356.511 0.753 10 0 FCAEMP CC[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000248488971 488497659 /nfs/dbraw/zinc/49/76/59/488497659.db2.gz MSZVZHOEGIAFFB-BRWVUGGUSA-N 2 1 355.527 0.109 10 0 FCAEMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103168815 488500234 /nfs/dbraw/zinc/50/02/34/488500234.db2.gz BJXDTPOOIYIRMU-HXUWFJFHSA-N 2 1 374.529 0.719 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000249374025 488508984 /nfs/dbraw/zinc/50/89/84/488508984.db2.gz XSUGHSUKYFXYFS-MOPGFXCFSA-N 2 1 360.502 0.812 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000249374025 488508986 /nfs/dbraw/zinc/50/89/86/488508986.db2.gz XSUGHSUKYFXYFS-MOPGFXCFSA-N 2 1 360.502 0.812 10 0 FCAEMP C[C@H]1C[NH+](CCCCC[N@H+]2CCN(CCO)[C@@H](C)C2)CCN1CCO ZINC000249570105 488512226 /nfs/dbraw/zinc/51/22/26/488512226.db2.gz OBCQOGJZVLQOOC-OALUTQOASA-N 2 1 356.555 0.154 10 0 FCAEMP C[C@H](O)C[NH+]1CCN(C/C=C\CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000255794486 488522884 /nfs/dbraw/zinc/52/28/84/488522884.db2.gz LUHGJKTZTGQXFT-CFXMGXPISA-N 2 1 368.566 0.316 10 0 FCAEMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111230812 488529068 /nfs/dbraw/zinc/52/90/68/488529068.db2.gz DHVXYRVPQBTMHA-INIZCTEOSA-N 2 1 354.495 0.110 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812439 488531547 /nfs/dbraw/zinc/53/15/47/488531547.db2.gz LSQPFPIDYLVCBK-QZTJIDSGSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000111812439 488531549 /nfs/dbraw/zinc/53/15/49/488531549.db2.gz LSQPFPIDYLVCBK-QZTJIDSGSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000111812439 488531551 /nfs/dbraw/zinc/53/15/51/488531551.db2.gz LSQPFPIDYLVCBK-QZTJIDSGSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261777620 488535637 /nfs/dbraw/zinc/53/56/37/488535637.db2.gz HBVXXSPDKPXTEQ-UHFFFAOYSA-N 2 1 365.474 0.768 10 0 FCAEMP CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261943253 488543244 /nfs/dbraw/zinc/54/32/44/488543244.db2.gz NEGOGDFJUIMGAU-KURKYZTESA-N 2 1 352.523 0.724 10 0 FCAEMP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[C@]1(N2CCOCC2)CCSC1 ZINC000261953387 488543598 /nfs/dbraw/zinc/54/35/98/488543598.db2.gz OREAUPONNQULBH-XMTFNYHQSA-N 2 1 355.548 0.941 10 0 FCAEMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261981231 488544387 /nfs/dbraw/zinc/54/43/87/488544387.db2.gz RPTGOGJBMPLVHV-ZACQAIPSSA-N 2 1 359.536 0.937 10 0 FCAEMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262450040 488571106 /nfs/dbraw/zinc/57/11/06/488571106.db2.gz DRQBFGDVOMZGEJ-SJORKVTESA-N 2 1 358.442 0.635 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000129420980 488630773 /nfs/dbraw/zinc/63/07/73/488630773.db2.gz KAYWVKUQUHJOQH-OAHLLOKOSA-N 2 1 364.494 0.620 10 0 FCAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136979430 488679407 /nfs/dbraw/zinc/67/94/07/488679407.db2.gz ZZKAMWYKQGNMKW-IRXDYDNUSA-N 2 1 367.538 0.911 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150776585 488700072 /nfs/dbraw/zinc/70/00/72/488700072.db2.gz QGVZFPYNLAAGPW-MOPGFXCFSA-N 2 1 366.550 0.877 10 0 FCAEMP CC[NH+]1CCC[C@@H](NC(=O)COCC(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000153372706 488730327 /nfs/dbraw/zinc/73/03/27/488730327.db2.gz DIOSPPXBPPLCET-IYBDPMFKSA-N 2 1 354.495 0.204 10 0 FCAEMP CC[NH+]1CCC[C@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000153372706 488730328 /nfs/dbraw/zinc/73/03/28/488730328.db2.gz DIOSPPXBPPLCET-IYBDPMFKSA-N 2 1 354.495 0.204 10 0 FCAEMP CC[NH+]1CCC[C@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000153372706 488730331 /nfs/dbraw/zinc/73/03/31/488730331.db2.gz DIOSPPXBPPLCET-IYBDPMFKSA-N 2 1 354.495 0.204 10 0 FCAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000155250675 488753199 /nfs/dbraw/zinc/75/31/99/488753199.db2.gz PLYWNDMCEMPFMN-HXUWFJFHSA-N 2 1 374.529 0.902 10 0 FCAEMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000170843604 488817031 /nfs/dbraw/zinc/81/70/31/488817031.db2.gz CQUNHDKOJVCISI-GOSISDBHSA-N 2 1 374.485 0.662 10 0 FCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000171351342 488822684 /nfs/dbraw/zinc/82/26/84/488822684.db2.gz LUILVPCVVYQCFZ-INIZCTEOSA-N 2 1 351.495 0.420 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181738981 488863852 /nfs/dbraw/zinc/86/38/52/488863852.db2.gz NOEAYXOIHVMIJM-FUHWJXTLSA-N 2 1 370.538 0.831 10 0 FCAEMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000366301606 489168727 /nfs/dbraw/zinc/16/87/27/489168727.db2.gz BDSWHGZRMLIXCX-UHFFFAOYSA-N 2 1 365.522 0.855 10 0 FCAEMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000370535798 489371651 /nfs/dbraw/zinc/37/16/51/489371651.db2.gz MECPVFWJKDTYSP-QGZVFWFLSA-N 2 1 368.522 0.994 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363179719 489434178 /nfs/dbraw/zinc/43/41/78/489434178.db2.gz PSADONJKHKDKTM-IAGOWNOFSA-N 2 1 355.527 0.422 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415628615 489538322 /nfs/dbraw/zinc/53/83/22/489538322.db2.gz UWBAVVYYQXBSRS-QAPCUYQASA-N 2 1 374.485 0.614 10 0 FCAEMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415724145 489546361 /nfs/dbraw/zinc/54/63/61/489546361.db2.gz FEXLCYAFVPGVRS-YOEHRIQHSA-N 2 1 360.458 0.448 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000452126831 489548653 /nfs/dbraw/zinc/54/86/53/489548653.db2.gz ZHIXCEOQOYITRU-GOSISDBHSA-N 2 1 374.529 0.897 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000452126831 489548654 /nfs/dbraw/zinc/54/86/54/489548654.db2.gz ZHIXCEOQOYITRU-GOSISDBHSA-N 2 1 374.529 0.897 10 0 FCAEMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415872474 489562216 /nfs/dbraw/zinc/56/22/16/489562216.db2.gz SEPQBXAUXKJNBG-SFHVURJKSA-N 2 1 374.485 0.758 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417046434 489639743 /nfs/dbraw/zinc/63/97/43/489639743.db2.gz AYOBKYMGODZFCW-INIZCTEOSA-N 2 1 351.495 0.513 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417046458 489639809 /nfs/dbraw/zinc/63/98/09/489639809.db2.gz BBYAJRBQMYRMOF-ZDUSSCGKSA-N 2 1 361.437 0.273 10 0 FCAEMP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000457641331 489652231 /nfs/dbraw/zinc/65/22/31/489652231.db2.gz SFZAEFWBVLMOTI-KRWDZBQOSA-N 2 1 355.527 0.158 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457641331 489652233 /nfs/dbraw/zinc/65/22/33/489652233.db2.gz SFZAEFWBVLMOTI-KRWDZBQOSA-N 2 1 355.527 0.158 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000457641331 489652236 /nfs/dbraw/zinc/65/22/36/489652236.db2.gz SFZAEFWBVLMOTI-KRWDZBQOSA-N 2 1 355.527 0.158 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417435715 489653283 /nfs/dbraw/zinc/65/32/83/489653283.db2.gz ZCGQQHMUGMNHEO-QFBILLFUSA-N 2 1 365.522 0.714 10 0 FCAEMP C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC[N@@H+]1CCO ZINC000429336390 489682787 /nfs/dbraw/zinc/68/27/87/489682787.db2.gz QYAGLGFJMGQERJ-ZDUSSCGKSA-N 2 1 363.462 0.377 10 0 FCAEMP C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC[N@H+]1CCO ZINC000429336390 489682789 /nfs/dbraw/zinc/68/27/89/489682789.db2.gz QYAGLGFJMGQERJ-ZDUSSCGKSA-N 2 1 363.462 0.377 10 0 FCAEMP CC[N@@H+](CCNC(=O)N1CCN(CCO)C[C@@H]1C)CCC(F)(F)F ZINC000458707499 489696667 /nfs/dbraw/zinc/69/66/67/489696667.db2.gz FZRDMSVHIWCXAK-ZDUSSCGKSA-N 2 1 354.417 0.969 10 0 FCAEMP CCN(CCNC(=O)N1CCN(CCO)C[C@@H]1C)CCC(F)(F)F ZINC000458707499 489696669 /nfs/dbraw/zinc/69/66/69/489696669.db2.gz FZRDMSVHIWCXAK-ZDUSSCGKSA-N 2 1 354.417 0.969 10 0 FCAEMP OCC[C@H]1CSCC[NH+]1CCOCC[N@@H+]1CCSC[C@@H]1CCO ZINC000489324023 489706068 /nfs/dbraw/zinc/70/60/68/489706068.db2.gz FUEHFOZTAKMFDT-HOTGVXAUSA-N 2 1 364.577 0.603 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418827854 489742293 /nfs/dbraw/zinc/74/22/93/489742293.db2.gz HJSKJCZVYREDOV-HZPDHXFCSA-N 2 1 366.506 0.252 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474383839 489759368 /nfs/dbraw/zinc/75/93/68/489759368.db2.gz LEOCYZNOUGSBHW-GTPINHCMSA-N 2 1 365.522 0.890 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418874775 489770166 /nfs/dbraw/zinc/77/01/66/489770166.db2.gz CFIBZBAFEMSRRQ-DOPJRALCSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418874775 489770170 /nfs/dbraw/zinc/77/01/70/489770170.db2.gz CFIBZBAFEMSRRQ-DOPJRALCSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418882799 489773388 /nfs/dbraw/zinc/77/33/88/489773388.db2.gz UFMXFAJAYVZSRJ-JCURWCKSSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418882799 489773392 /nfs/dbraw/zinc/77/33/92/489773392.db2.gz UFMXFAJAYVZSRJ-JCURWCKSSA-N 2 1 360.458 0.553 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987838 489791776 /nfs/dbraw/zinc/79/17/76/489791776.db2.gz NITDQDVEIJCFCL-FGTMMUONSA-N 2 1 372.579 0.616 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000419042805 489831294 /nfs/dbraw/zinc/83/12/94/489831294.db2.gz PSSSNMYRYCZXCW-INIZCTEOSA-N 2 1 374.489 0.437 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000419047038 489833293 /nfs/dbraw/zinc/83/32/93/489833293.db2.gz ZJXZIMRBTRHDGZ-ULQDDVLXSA-N 2 1 368.522 0.498 10 0 FCAEMP 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ZINC000659713249 493268022 /nfs/dbraw/zinc/26/80/22/493268022.db2.gz NHZDTGIWXPDUNQ-KRWDZBQOSA-N 2 1 358.486 0.741 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659737379 493279250 /nfs/dbraw/zinc/27/92/50/493279250.db2.gz UBKXLPIHFPHEDF-BFYDXBDKSA-N 2 1 366.506 0.332 10 0 FCAEMP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659741283 493281102 /nfs/dbraw/zinc/28/11/02/493281102.db2.gz SUCAAAQKPKKKRN-KRWDZBQOSA-N 2 1 358.486 0.822 10 0 FCAEMP CN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659742109 493281475 /nfs/dbraw/zinc/28/14/75/493281475.db2.gz QIEPICOUYWWMIH-WBTXTPOCSA-N 2 1 370.497 0.978 10 0 FCAEMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742992 493282144 /nfs/dbraw/zinc/28/21/44/493282144.db2.gz XIQIRHDGSGFSHU-UHFFFAOYSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000673174251 493298234 /nfs/dbraw/zinc/29/82/34/493298234.db2.gz NEIHXAALZCENNC-BPQIPLTHSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000673174251 493298236 /nfs/dbraw/zinc/29/82/36/493298236.db2.gz NEIHXAALZCENNC-BPQIPLTHSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000673174251 493298237 /nfs/dbraw/zinc/29/82/37/493298237.db2.gz NEIHXAALZCENNC-BPQIPLTHSA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C2CC2)C1=O ZINC000667812227 493303191 /nfs/dbraw/zinc/30/31/91/493303191.db2.gz HMLFQYYZCPPGKV-KRWDZBQOSA-N 2 1 365.522 0.761 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000673351293 493319967 /nfs/dbraw/zinc/31/99/67/493319967.db2.gz NLTJMXIVIUFOIZ-IAGOWNOFSA-N 2 1 362.474 0.242 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000673351294 493320183 /nfs/dbraw/zinc/32/01/83/493320183.db2.gz 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/nfs/dbraw/zinc/41/84/08/493418408.db2.gz KTSAKKIAPMLXEB-QGZVFWFLSA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685122585 493449728 /nfs/dbraw/zinc/44/97/28/493449728.db2.gz FMJXUALWMMEKBO-QAPCUYQASA-N 2 1 373.501 0.934 10 0 FCAEMP CCN(C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000669178513 493473464 /nfs/dbraw/zinc/47/34/64/493473464.db2.gz FFKLNLOWIXLMRP-SFHVURJKSA-N 2 1 373.501 0.967 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC(CO)(CO)C1 ZINC000661946850 493478089 /nfs/dbraw/zinc/47/80/89/493478089.db2.gz COPGEACGGGBHJG-FUHWJXTLSA-N 2 1 361.486 0.442 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC(CO)(CO)C1 ZINC000661946850 493478091 /nfs/dbraw/zinc/47/80/91/493478091.db2.gz COPGEACGGGBHJG-FUHWJXTLSA-N 2 1 361.486 0.442 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)(CO)C1 ZINC000661946850 493478092 /nfs/dbraw/zinc/47/80/92/493478092.db2.gz COPGEACGGGBHJG-FUHWJXTLSA-N 2 1 361.486 0.442 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CO)(CO)C1 ZINC000661946850 493478094 /nfs/dbraw/zinc/47/80/94/493478094.db2.gz COPGEACGGGBHJG-FUHWJXTLSA-N 2 1 361.486 0.442 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000669274858 493488012 /nfs/dbraw/zinc/48/80/12/493488012.db2.gz UTYRIFAHZRVIRN-BBWFWOEESA-N 2 1 366.506 0.033 10 0 FCAEMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662112697 493489983 /nfs/dbraw/zinc/48/99/83/493489983.db2.gz GAXNWPWOLRQASH-OAHLLOKOSA-N 2 1 350.507 0.966 10 0 FCAEMP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257945 493500514 /nfs/dbraw/zinc/50/05/14/493500514.db2.gz TWLDYTKDVJHIPP-OAHLLOKOSA-N 2 1 353.488 0.726 10 0 FCAEMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257945 493500516 /nfs/dbraw/zinc/50/05/16/493500516.db2.gz TWLDYTKDVJHIPP-OAHLLOKOSA-N 2 1 353.488 0.726 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000669432977 493503737 /nfs/dbraw/zinc/50/37/37/493503737.db2.gz MPTWCDBSBUMFDM-KRWDZBQOSA-N 2 1 365.522 0.714 10 0 FCAEMP [NH3+]C1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCCC1 ZINC000669486495 493506826 /nfs/dbraw/zinc/50/68/26/493506826.db2.gz QKNOZLWETFOVQM-KRWDZBQOSA-N 2 1 367.538 0.744 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662329729 493506987 /nfs/dbraw/zinc/50/69/87/493506987.db2.gz PHSQGAFYHLUTMA-QWHCGFSZSA-N 2 1 354.417 0.281 10 0 FCAEMP C[C@H](C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)CS(C)(=O)=O ZINC000662337039 493507691 /nfs/dbraw/zinc/50/76/91/493507691.db2.gz IOWOPMQPRQWANX-CABCVRRESA-N 2 1 369.535 0.679 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)CS(C)(=O)=O ZINC000662337039 493507693 /nfs/dbraw/zinc/50/76/93/493507693.db2.gz IOWOPMQPRQWANX-CABCVRRESA-N 2 1 369.535 0.679 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 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CCCCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903496592 675933901 /nfs/dbraw/zinc/93/39/01/675933901.db2.gz UVRRALDYJCCKEV-BZUAXINKSA-N 2 1 359.536 0.719 10 0 FCAEMP CCCCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903496592 675933903 /nfs/dbraw/zinc/93/39/03/675933903.db2.gz UVRRALDYJCCKEV-BZUAXINKSA-N 2 1 359.536 0.719 10 0 FCAEMP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H]1[NH3+] ZINC000903721402 675963760 /nfs/dbraw/zinc/96/37/60/675963760.db2.gz RWVCPUVCXYBTHE-OAHLLOKOSA-N 2 1 364.515 0.631 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000903724582 675964083 /nfs/dbraw/zinc/96/40/83/675964083.db2.gz VLFAJAHAGUBKPL-CHWSQXEVSA-N 2 1 362.396 0.279 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903724099 675964105 /nfs/dbraw/zinc/96/41/05/675964105.db2.gz LPVTZRWPJBGBSK-XQQFMLRXSA-N 2 1 364.412 0.525 10 0 FCAEMP 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FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883916 675980545 /nfs/dbraw/zinc/98/05/45/675980545.db2.gz MAUUGVFVVAHWJO-RDJZCZTQSA-N 2 1 371.551 0.640 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883917 675980624 /nfs/dbraw/zinc/98/06/24/675980624.db2.gz MAUUGVFVVAHWJO-WBVHZDCISA-N 2 1 371.551 0.640 10 0 FCAEMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707737 672289983 /nfs/dbraw/zinc/28/99/83/672289983.db2.gz JLTNBGPVSOWAEK-JONQDZQNSA-N 2 1 350.463 0.644 10 0 FCAEMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707737 672289986 /nfs/dbraw/zinc/28/99/86/672289986.db2.gz JLTNBGPVSOWAEK-JONQDZQNSA-N 2 1 350.463 0.644 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867707125 672357362 /nfs/dbraw/zinc/35/73/62/672357362.db2.gz GKOKPFLAMHCKAA-HOTGVXAUSA-N 2 1 350.507 0.872 10 0 FCAEMP 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CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H]1C ZINC000872189900 672598751 /nfs/dbraw/zinc/59/87/51/672598751.db2.gz PBGOBYWXMMVZLU-VOAKCMCISA-N 2 1 364.412 0.523 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000872194439 672602415 /nfs/dbraw/zinc/60/24/15/672602415.db2.gz IMUKUWRGESEEGM-USZNOCQGSA-N 2 1 350.385 0.133 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000872194439 672602419 /nfs/dbraw/zinc/60/24/19/672602419.db2.gz IMUKUWRGESEEGM-USZNOCQGSA-N 2 1 350.385 0.133 10 0 FCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCNC(=O)CC23CCOCC3)CC1 ZINC000872283998 672610158 /nfs/dbraw/zinc/61/01/58/672610158.db2.gz GCIAFZLYXSQGPS-UHFFFAOYSA-N 2 1 352.523 0.774 10 0 FCAEMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925342948 673788258 /nfs/dbraw/zinc/78/82/58/673788258.db2.gz KBFVLCDILCCYIJ-WBVHZDCISA-N 2 1 356.511 0.848 10 0 FCAEMP CCO[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C[NH+](C)C ZINC000926831871 673844092 /nfs/dbraw/zinc/84/40/92/673844092.db2.gz GOYRUFAZHLAHKY-KRWDZBQOSA-N 2 1 357.543 0.621 10 0 FCAEMP CCO[C@@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000926831871 673844094 /nfs/dbraw/zinc/84/40/94/673844094.db2.gz GOYRUFAZHLAHKY-KRWDZBQOSA-N 2 1 357.543 0.621 10 0 FCAEMP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(C)C ZINC000929143882 673939885 /nfs/dbraw/zinc/93/98/85/673939885.db2.gz NVUFZCIKAUWRAU-HOTGVXAUSA-N 2 1 370.563 0.917 10 0 FCAEMP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(C)C ZINC000929143882 673939886 /nfs/dbraw/zinc/93/98/86/673939886.db2.gz NVUFZCIKAUWRAU-HOTGVXAUSA-N 2 1 370.563 0.917 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929693693 673972208 /nfs/dbraw/zinc/97/22/08/673972208.db2.gz CUWIOQACBSFJOE-HZPDHXFCSA-N 2 1 350.507 0.920 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)CC1 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Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861736463 1209878147 /nfs/dbraw/zinc/87/81/47/1209878147.db2.gz YSQPMBDAAATJJK-SWLSCSKDSA-N 2 1 356.430 0.449 10 0 FCAEMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707187 1210001740 /nfs/dbraw/zinc/00/17/40/1210001740.db2.gz GZQVNOFFMCLTNF-VRXFMZDNSA-N 2 1 364.490 0.746 10 0 FCAEMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707187 1210001746 /nfs/dbraw/zinc/00/17/46/1210001746.db2.gz GZQVNOFFMCLTNF-VRXFMZDNSA-N 2 1 364.490 0.746 10 0 FCAEMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712108 1210003808 /nfs/dbraw/zinc/00/38/08/1210003808.db2.gz RBVXZTYIRCZJJW-IDCNUPLLSA-N 3 1 360.458 0.604 10 0 FCAEMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712108 1210003813 /nfs/dbraw/zinc/00/38/13/1210003813.db2.gz RBVXZTYIRCZJJW-IDCNUPLLSA-N 3 1 360.458 0.604 10 0 FCAEMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867508214 1210009879 /nfs/dbraw/zinc/00/98/79/1210009879.db2.gz ZGIJBRIJXVDMNX-WBVHZDCISA-N 2 1 362.474 0.722 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868370517 1210056233 /nfs/dbraw/zinc/05/62/33/1210056233.db2.gz JDQQNRNBHZXZNT-ZACQAIPSSA-N 2 1 365.522 0.665 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868370517 1210056237 /nfs/dbraw/zinc/05/62/37/1210056237.db2.gz JDQQNRNBHZXZNT-ZACQAIPSSA-N 2 1 365.522 0.665 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868370517 1210056243 /nfs/dbraw/zinc/05/62/43/1210056243.db2.gz JDQQNRNBHZXZNT-ZACQAIPSSA-N 2 1 365.522 0.665 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C[C@H](C)[N@H+]1CCO ZINC000868410657 1210063437 /nfs/dbraw/zinc/06/34/37/1210063437.db2.gz IKJPMNSMDCFZAP-KHYOSLBOSA-N 2 1 368.522 0.123 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C[C@H](C)[N@@H+]1CCO ZINC000868410657 1210063439 /nfs/dbraw/zinc/06/34/39/1210063439.db2.gz IKJPMNSMDCFZAP-KHYOSLBOSA-N 2 1 368.522 0.123 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)cn1 ZINC000869775390 1210094611 /nfs/dbraw/zinc/09/46/11/1210094611.db2.gz MORRRYNUCFFWDY-YESZJQIVSA-N 2 1 363.506 0.417 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cn1 ZINC000869775390 1210094615 /nfs/dbraw/zinc/09/46/15/1210094615.db2.gz MORRRYNUCFFWDY-YESZJQIVSA-N 2 1 363.506 0.417 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cn1 ZINC000869775390 1210094620 /nfs/dbraw/zinc/09/46/20/1210094620.db2.gz MORRRYNUCFFWDY-YESZJQIVSA-N 2 1 363.506 0.417 10 0 FCAEMP C[NH+]1CCN(c2ccc(-c3noc([C@@]4(C[NH3+])CCCOC4)n3)cn2)CC1 ZINC000872178378 1210174714 /nfs/dbraw/zinc/17/47/14/1210174714.db2.gz OIKWGVYCIGZBRQ-GOSISDBHSA-N 2 1 358.446 0.890 10 0 FCAEMP CC(C)(O)C[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000872201258 1210178770 /nfs/dbraw/zinc/17/87/70/1210178770.db2.gz YYZFXBBBSRCPNL-ROUUACIJSA-N 2 1 363.502 0.995 10 0 FCAEMP O=C1OC[C@@]2(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)COCCN12 ZINC000872230285 1210180825 /nfs/dbraw/zinc/18/08/25/1210180825.db2.gz XMYYZLMBYAXALW-RTBURBONSA-N 2 1 361.442 0.434 10 0 FCAEMP O=C1OC[C@@]2(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)COCCN12 ZINC000872230285 1210180834 /nfs/dbraw/zinc/18/08/34/1210180834.db2.gz XMYYZLMBYAXALW-RTBURBONSA-N 2 1 361.442 0.434 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000872254605 1210182018 /nfs/dbraw/zinc/18/20/18/1210182018.db2.gz IMZRUEWXDVBCDG-YESZJQIVSA-N 2 1 354.414 0.634 10 0 FCAEMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254504 1210182559 /nfs/dbraw/zinc/18/25/59/1210182559.db2.gz FZDFMRCFVWHPKA-QRQLOZEOSA-N 3 1 374.485 0.994 10 0 FCAEMP C[NH+](C)CCOc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254504 1210182569 /nfs/dbraw/zinc/18/25/69/1210182569.db2.gz FZDFMRCFVWHPKA-QRQLOZEOSA-N 2 1 374.485 0.994 10 0 FCAEMP CCOCCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275108586 1211176047 /nfs/dbraw/zinc/17/60/47/1211176047.db2.gz OCJGXOHCRLHSPI-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCOCCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275108586 1211176048 /nfs/dbraw/zinc/17/60/48/1211176048.db2.gz OCJGXOHCRLHSPI-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCOCCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275108586 1211176049 /nfs/dbraw/zinc/17/60/49/1211176049.db2.gz OCJGXOHCRLHSPI-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCOCCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275108586 1211176052 /nfs/dbraw/zinc/17/60/52/1211176052.db2.gz OCJGXOHCRLHSPI-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCOCCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275108586 1211176053 /nfs/dbraw/zinc/17/60/53/1211176053.db2.gz OCJGXOHCRLHSPI-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nnnn1Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275157909 1211184054 /nfs/dbraw/zinc/18/40/54/1211184054.db2.gz YAIOPESPHULUKD-ZMSDIMECSA-N 2 1 371.489 0.656 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nnnn1Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275157909 1211184055 /nfs/dbraw/zinc/18/40/55/1211184055.db2.gz YAIOPESPHULUKD-ZMSDIMECSA-N 2 1 371.489 0.656 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275561102 1211257536 /nfs/dbraw/zinc/25/75/36/1211257536.db2.gz WEXNETJRTPCTCO-RRFJBIMHSA-N 2 1 365.526 0.747 10 0 FCAEMP C[C@@H](C[NH+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275561102 1211257538 /nfs/dbraw/zinc/25/75/38/1211257538.db2.gz WEXNETJRTPCTCO-RRFJBIMHSA-N 2 1 365.526 0.747 10 0 FCAEMP C[C@@H](C[NH+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275561102 1211257540 /nfs/dbraw/zinc/25/75/40/1211257540.db2.gz WEXNETJRTPCTCO-RRFJBIMHSA-N 2 1 365.526 0.747 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000925841727 1211508941 /nfs/dbraw/zinc/50/89/41/1211508941.db2.gz SLJQFPOEWKVFKA-BHYGNILZSA-N 2 1 362.474 0.103 10 0 FCAEMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926294914 1211527226 /nfs/dbraw/zinc/52/72/26/1211527226.db2.gz LIZVEONPJVUCMG-FXAWDEMLSA-N 2 1 374.485 0.032 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@H](CC[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926296344 1211527709 /nfs/dbraw/zinc/52/77/09/1211527709.db2.gz XCMADGMYNOMETJ-ROUUACIJSA-N 2 1 358.486 0.917 10 0 FCAEMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926345857 1211536796 /nfs/dbraw/zinc/53/67/96/1211536796.db2.gz VECCCDLLEMLQKS-JKSUJKDBSA-N 2 1 366.506 0.141 10 0 FCAEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926345857 1211536801 /nfs/dbraw/zinc/53/68/01/1211536801.db2.gz VECCCDLLEMLQKS-JKSUJKDBSA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC[C@@H]1C[NH3+] ZINC000926348594 1211537470 /nfs/dbraw/zinc/53/74/70/1211537470.db2.gz SSXFISJLBBFVBE-ARFHVFGLSA-N 2 1 366.506 0.141 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000926351819 1211538293 /nfs/dbraw/zinc/53/82/93/1211538293.db2.gz KTONHFVFJHKMOY-PXNSSMCTSA-N 2 1 362.518 0.921 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC[N@@H+]1CC(C)(C)O ZINC000926354984 1211538463 /nfs/dbraw/zinc/53/84/63/1211538463.db2.gz MBVUROLPXIBISP-HNAYVOBHSA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC[N@H+]1CC(C)(C)O ZINC000926354984 1211538469 /nfs/dbraw/zinc/53/84/69/1211538469.db2.gz MBVUROLPXIBISP-HNAYVOBHSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926380108 1211542257 /nfs/dbraw/zinc/54/22/57/1211542257.db2.gz LIHGBRFEHVJSDE-HZPDHXFCSA-N 2 1 366.506 0.284 10 0 FCAEMP CCn1nc(C)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927832410 1211584046 /nfs/dbraw/zinc/58/40/46/1211584046.db2.gz JSWNKEUYZJKRID-IYBDPMFKSA-N 2 1 374.489 0.577 10 0 FCAEMP CCn1nc(C)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927832410 1211584048 /nfs/dbraw/zinc/58/40/48/1211584048.db2.gz JSWNKEUYZJKRID-IYBDPMFKSA-N 2 1 374.489 0.577 10 0 FCAEMP Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000927833410 1211584054 /nfs/dbraw/zinc/58/40/54/1211584054.db2.gz BEUHMQVHUMECNS-CALCHBBNSA-N 2 1 357.458 0.756 10 0 FCAEMP Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000927833410 1211584057 /nfs/dbraw/zinc/58/40/57/1211584057.db2.gz BEUHMQVHUMECNS-CALCHBBNSA-N 2 1 357.458 0.756 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000929169754 1211620579 /nfs/dbraw/zinc/62/05/79/1211620579.db2.gz ZEQZEABRRXRZDX-SJORKVTESA-N 2 1 366.506 0.033 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000929400425 1211635363 /nfs/dbraw/zinc/63/53/63/1211635363.db2.gz HYDVLMZQYXYEIQ-QGZVFWFLSA-N 2 1 372.473 0.902 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000929398928 1211635471 /nfs/dbraw/zinc/63/54/71/1211635471.db2.gz BZQHRZOLSBQKBG-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000929398928 1211635475 /nfs/dbraw/zinc/63/54/75/1211635475.db2.gz BZQHRZOLSBQKBG-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000929398928 1211635479 /nfs/dbraw/zinc/63/54/79/1211635479.db2.gz BZQHRZOLSBQKBG-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000929565582 1211647122 /nfs/dbraw/zinc/64/71/22/1211647122.db2.gz SJLVDSOAMOWGMP-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000929570091 1211647774 /nfs/dbraw/zinc/64/77/74/1211647774.db2.gz VQJAAQRZKINGPJ-OKZBNKHCSA-N 2 1 373.501 0.934 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)CC1 ZINC000929610934 1211650645 /nfs/dbraw/zinc/65/06/45/1211650645.db2.gz ZPJLEKDOMXUFIS-GOSISDBHSA-N 2 1 367.534 0.919 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929701743 1211656592 /nfs/dbraw/zinc/65/65/92/1211656592.db2.gz GTSWBFSGSMTXQL-HZPDHXFCSA-N 2 1 370.538 0.696 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000930491542 1211709860 /nfs/dbraw/zinc/70/98/60/1211709860.db2.gz RYPQGRKBQPRWMR-JLSDUUJJSA-N 2 1 373.501 0.790 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930818651 1211723190 /nfs/dbraw/zinc/72/31/90/1211723190.db2.gz KOPMLUCHYSMXLB-CVEARBPZSA-N 2 1 373.482 0.647 10 0 FCAEMP C[N@@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000931409103 1211754073 /nfs/dbraw/zinc/75/40/73/1211754073.db2.gz JSIRAVPXXBPMNO-LJQANCHMSA-N 2 1 360.502 0.507 10 0 FCAEMP C[N@H+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000931409103 1211754078 /nfs/dbraw/zinc/75/40/78/1211754078.db2.gz JSIRAVPXXBPMNO-LJQANCHMSA-N 2 1 360.502 0.507 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000931409067 1211754154 /nfs/dbraw/zinc/75/41/54/1211754154.db2.gz IWUBRUUZILLBHM-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)CN2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000931409067 1211754161 /nfs/dbraw/zinc/75/41/61/1211754161.db2.gz IWUBRUUZILLBHM-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH+](C)[C@@H](CO)C2)CC1 ZINC000931409067 1211754163 /nfs/dbraw/zinc/75/41/63/1211754163.db2.gz IWUBRUUZILLBHM-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH+](C)[C@@H](CO)C2)CC1 ZINC000931409067 1211754166 /nfs/dbraw/zinc/75/41/66/1211754166.db2.gz IWUBRUUZILLBHM-HXUWFJFHSA-N 2 1 374.529 0.638 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931507916 1211759452 /nfs/dbraw/zinc/75/94/52/1211759452.db2.gz BDUNGLQWUKCHJA-OAHLLOKOSA-N 2 1 361.490 0.495 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1)c1ccccc1 ZINC000933761386 1211847039 /nfs/dbraw/zinc/84/70/39/1211847039.db2.gz IASJTBJNAHHGAY-QKLQHJQFSA-N 2 1 358.486 0.993 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000900014480 1217954708 /nfs/dbraw/zinc/95/47/08/1217954708.db2.gz YDTNYEOHUZHWEB-NRFANRHFSA-N 2 1 374.529 0.767 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2cnc(C(=O)N[C@H]3CCC[N@H+](C)C3)cn2)C1 ZINC000900589398 1218009817 /nfs/dbraw/zinc/00/98/17/1218009817.db2.gz KDUOKLUCTJIOLU-KBPBESRZSA-N 2 1 360.462 0.125 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1cnc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000900695919 1218025899 /nfs/dbraw/zinc/02/58/99/1218025899.db2.gz SXWNVUQBZAOTIA-KBPBESRZSA-N 2 1 360.462 0.125 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc3ccccc3c(=O)n1C)C2 ZINC000903492949 1218426870 /nfs/dbraw/zinc/42/68/70/1218426870.db2.gz MPAGEOZNASVCCD-QUJCMNEKSA-N 2 1 356.426 0.646 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc3ccccc3c(=O)n1C)C2 ZINC000903492949 1218426874 /nfs/dbraw/zinc/42/68/74/1218426874.db2.gz MPAGEOZNASVCCD-QUJCMNEKSA-N 2 1 356.426 0.646 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903719457 1218506191 /nfs/dbraw/zinc/50/61/91/1218506191.db2.gz LNSWPFWJKBGEIP-SJORKVTESA-N 2 1 358.486 0.915 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903779292 1218524131 /nfs/dbraw/zinc/52/41/31/1218524131.db2.gz YCFJPXDWWZJQLW-QRQLOZEOSA-N 2 1 372.513 0.815 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903779292 1218524139 /nfs/dbraw/zinc/52/41/39/1218524139.db2.gz YCFJPXDWWZJQLW-QRQLOZEOSA-N 2 1 372.513 0.815 10 0 FCAEMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885893 1218560059 /nfs/dbraw/zinc/56/00/59/1218560059.db2.gz LQRGIHGVJGUCTM-XHSDSOJGSA-N 2 1 364.494 0.566 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn(Cc3cccnc3)nn1)C2 ZINC000903976869 1218579719 /nfs/dbraw/zinc/57/97/19/1218579719.db2.gz FZLNEEZANSJAHJ-DAYGRLMNSA-N 2 1 356.430 0.434 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn(Cc3cccnc3)nn1)C2 ZINC000903976869 1218579726 /nfs/dbraw/zinc/57/97/26/1218579726.db2.gz FZLNEEZANSJAHJ-DAYGRLMNSA-N 2 1 356.430 0.434 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001491153124 1220088721 /nfs/dbraw/zinc/08/87/21/1220088721.db2.gz UATVOKQYHUUWJF-BFYDXBDKSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C ZINC001491460841 1220141377 /nfs/dbraw/zinc/14/13/77/1220141377.db2.gz CWHCIEDOVDKOMW-QLFBSQMISA-N 2 1 364.494 0.492 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC(C[NH+]3CCOCC3)C2)cn1 ZINC001118443316 1221780433 /nfs/dbraw/zinc/78/04/33/1221780433.db2.gz JTHHLIIHYJWVSG-QZTJIDSGSA-N 2 1 361.490 0.246 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC(C[NH+]3CCOCC3)C2)cn1 ZINC001118443316 1221780435 /nfs/dbraw/zinc/78/04/35/1221780435.db2.gz JTHHLIIHYJWVSG-QZTJIDSGSA-N 2 1 361.490 0.246 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001118865791 1221837324 /nfs/dbraw/zinc/83/73/24/1221837324.db2.gz SBKZUBNTTWZNFC-VVLHAWIVSA-N 2 1 362.449 0.944 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001118865791 1221837326 /nfs/dbraw/zinc/83/73/26/1221837326.db2.gz SBKZUBNTTWZNFC-VVLHAWIVSA-N 2 1 362.449 0.944 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001119692088 1221951365 /nfs/dbraw/zinc/95/13/65/1221951365.db2.gz BZMOKKJIHJZAOA-IXDOHACOSA-N 2 1 366.506 0.345 10 0 FCAEMP O=C(NCc1ccn2ccnc2c1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001119726747 1221958683 /nfs/dbraw/zinc/95/86/83/1221958683.db2.gz YGNLMARZJXRZDX-HZPDHXFCSA-N 2 1 371.441 0.008 10 0 FCAEMP O=C(NCc1ccn2ccnc2c1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001119726747 1221958691 /nfs/dbraw/zinc/95/86/91/1221958691.db2.gz YGNLMARZJXRZDX-HZPDHXFCSA-N 2 1 371.441 0.008 10 0 FCAEMP C[N@H+]1C[C@H]2CC[C@@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC001123650433 1222346979 /nfs/dbraw/zinc/34/69/79/1222346979.db2.gz SMENBCRHRIMLQA-KZNAEPCWSA-N 2 1 372.517 0.973 10 0 FCAEMP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123793990 1222358132 /nfs/dbraw/zinc/35/81/32/1222358132.db2.gz HGXVLGMJKSSZHG-TVFCKZIOSA-N 3 1 368.570 0.002 10 0 FCAEMP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CN(C)CCN1C ZINC001123793990 1222358135 /nfs/dbraw/zinc/35/81/35/1222358135.db2.gz HGXVLGMJKSSZHG-TVFCKZIOSA-N 2 1 368.570 0.002 10 0 FCAEMP CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862516 1222361051 /nfs/dbraw/zinc/36/10/51/1222361051.db2.gz MVXQINQRMABVMT-OALUTQOASA-N 2 1 366.550 0.897 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475983 1222681664 /nfs/dbraw/zinc/68/16/64/1222681664.db2.gz KRTBYPYXEYYPED-ZWKOTPCHSA-N 2 1 368.522 0.776 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849518963 1245398284 /nfs/dbraw/zinc/39/82/84/1245398284.db2.gz UDBWTKJEWIIZED-QZTJIDSGSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849518963 1245398290 /nfs/dbraw/zinc/39/82/90/1245398290.db2.gz UDBWTKJEWIIZED-QZTJIDSGSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849518963 1245398296 /nfs/dbraw/zinc/39/82/96/1245398296.db2.gz UDBWTKJEWIIZED-QZTJIDSGSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849522851 1245399045 /nfs/dbraw/zinc/39/90/45/1245399045.db2.gz PDACUUCMSSLNHU-KURKYZTESA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522851 1245399047 /nfs/dbraw/zinc/39/90/47/1245399047.db2.gz PDACUUCMSSLNHU-KURKYZTESA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522851 1245399049 /nfs/dbraw/zinc/39/90/49/1245399049.db2.gz PDACUUCMSSLNHU-KURKYZTESA-N 2 1 363.506 0.682 10 0 FCAEMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849557192 1245400236 /nfs/dbraw/zinc/40/02/36/1245400236.db2.gz GNEHOICTHQVTSS-FGTMMUONSA-N 2 1 365.522 0.928 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000849561134 1245402208 /nfs/dbraw/zinc/40/22/08/1245402208.db2.gz DMAHHFRDLLEJHW-IRXDYDNUSA-N 2 1 371.489 0.538 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000849561134 1245402212 /nfs/dbraw/zinc/40/22/12/1245402212.db2.gz DMAHHFRDLLEJHW-IRXDYDNUSA-N 2 1 371.489 0.538 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](CCO)C(C)(C)C2)cn1 ZINC000849581948 1245403852 /nfs/dbraw/zinc/40/38/52/1245403852.db2.gz JSIXXFDORJDSLH-SJORKVTESA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](CCO)C(C)(C)C2)cn1 ZINC000849581948 1245403856 /nfs/dbraw/zinc/40/38/56/1245403856.db2.gz JSIXXFDORJDSLH-SJORKVTESA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@H]2C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cn1 ZINC000849581948 1245403861 /nfs/dbraw/zinc/40/38/61/1245403861.db2.gz JSIXXFDORJDSLH-SJORKVTESA-N 2 1 363.506 0.371 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[N@@H+](C)[C@H]2CCNC2=O)CC[NH+]1C ZINC001479677327 1263344130 /nfs/dbraw/zinc/34/41/30/1263344130.db2.gz JKSVOWOVKFFZDK-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001479716472 1263384310 /nfs/dbraw/zinc/38/43/10/1263384310.db2.gz GPCYMKQVRIGEPI-FSDCSDTHSA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001479716472 1263384319 /nfs/dbraw/zinc/38/43/19/1263384319.db2.gz GPCYMKQVRIGEPI-FSDCSDTHSA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001479716472 1263384331 /nfs/dbraw/zinc/38/43/31/1263384331.db2.gz GPCYMKQVRIGEPI-FSDCSDTHSA-N 2 1 350.507 0.822 10 0 FCAEMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C)[NH+]1CCCC1 ZINC001479730366 1263406445 /nfs/dbraw/zinc/40/64/45/1263406445.db2.gz ZWXMNILEOBOYIP-IKGGRYGDSA-N 2 1 365.522 0.711 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCOCCO)CC[N@H+]1C ZINC001480179265 1263426395 /nfs/dbraw/zinc/42/63/95/1263426395.db2.gz BVPIBAORCBNHCN-OOHRUWKFSA-N 2 1 353.507 0.837 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCCO)CC[NH+]1C ZINC001480179265 1263426399 /nfs/dbraw/zinc/42/63/99/1263426399.db2.gz BVPIBAORCBNHCN-OOHRUWKFSA-N 2 1 353.507 0.837 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOCCO)CC[NH+]1C ZINC001480179265 1263426402 /nfs/dbraw/zinc/42/64/02/1263426402.db2.gz BVPIBAORCBNHCN-OOHRUWKFSA-N 2 1 353.507 0.837 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001480765543 1263434576 /nfs/dbraw/zinc/43/45/76/1263434576.db2.gz NGIXNVNIICDWNU-IACUBPJLSA-N 2 1 351.451 0.746 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C[C@H](C)CS(C)(=O)=O)CC[N@@H+]1C ZINC001482597082 1263443382 /nfs/dbraw/zinc/44/33/82/1263443382.db2.gz MBFJIJNSKKUTBA-HRCADAONSA-N 2 1 361.552 0.788 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C[C@H](C)CS(C)(=O)=O)CC[N@H+]1C ZINC001482597082 1263443390 /nfs/dbraw/zinc/44/33/90/1263443390.db2.gz MBFJIJNSKKUTBA-HRCADAONSA-N 2 1 361.552 0.788 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)C[C@H](C)CS(C)(=O)=O)CC[NH+]1C ZINC001482597082 1263443393 /nfs/dbraw/zinc/44/33/93/1263443393.db2.gz MBFJIJNSKKUTBA-HRCADAONSA-N 2 1 361.552 0.788 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@H](C)CS(C)(=O)=O)CC[NH+]1C ZINC001482597082 1263443402 /nfs/dbraw/zinc/44/34/02/1263443402.db2.gz MBFJIJNSKKUTBA-HRCADAONSA-N 2 1 361.552 0.788 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCC1 ZINC001316739481 1263444954 /nfs/dbraw/zinc/44/49/54/1263444954.db2.gz AXXJJUVPDCJMJI-DLBZAZTESA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001483929999 1263449723 /nfs/dbraw/zinc/44/97/23/1263449723.db2.gz USOFVHDHZDNHFP-FRRDWIJNSA-N 2 1 366.491 0.397 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CCOCCO)CC2)CC[N@H+]1C ZINC001484136394 1263455782 /nfs/dbraw/zinc/45/57/82/1263455782.db2.gz FNULPFUFTAYESR-DLBZAZTESA-N 2 1 355.523 0.944 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758661 1263463876 /nfs/dbraw/zinc/46/38/76/1263463876.db2.gz KHWANTPEJUHKCG-OWCLPIDISA-N 2 1 364.490 0.304 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758661 1263463884 /nfs/dbraw/zinc/46/38/84/1263463884.db2.gz KHWANTPEJUHKCG-OWCLPIDISA-N 2 1 364.490 0.304 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758661 1263463890 /nfs/dbraw/zinc/46/38/90/1263463890.db2.gz KHWANTPEJUHKCG-OWCLPIDISA-N 2 1 364.490 0.304 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001484419599 1263469918 /nfs/dbraw/zinc/46/99/18/1263469918.db2.gz YOUZUYVXYXPVEL-CRAIPNDOSA-N 2 1 362.522 0.431 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(F)cn2)CC[N@H+]1C ZINC001484483570 1263475965 /nfs/dbraw/zinc/47/59/65/1263475965.db2.gz SLTZOPGOUIASKI-DLBZAZTESA-N 2 1 352.454 0.862 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCc3ccnn3C)C2)CC[N@H+]1C ZINC001484676832 1263481670 /nfs/dbraw/zinc/48/16/70/1263481670.db2.gz DOKLWPNRKYBZBV-FGTMMUONSA-N 2 1 363.506 0.510 10 0 FCAEMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001484715786 1263482711 /nfs/dbraw/zinc/48/27/11/1263482711.db2.gz WYFPJQNRENLXCT-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484715786 1263482718 /nfs/dbraw/zinc/48/27/18/1263482718.db2.gz WYFPJQNRENLXCT-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484715786 1263482725 /nfs/dbraw/zinc/48/27/25/1263482725.db2.gz WYFPJQNRENLXCT-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCn3cccn3)C2)CC[N@H+]1C ZINC001484840505 1263488437 /nfs/dbraw/zinc/48/84/37/1263488437.db2.gz AWOYFFJIIRISIF-YQVWRLOYSA-N 2 1 363.506 0.557 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)CC[N@H+]1C ZINC001485785402 1263515738 /nfs/dbraw/zinc/51/57/38/1263515738.db2.gz ANLOPNGECXDOEG-RRFJBIMHSA-N 2 1 369.510 0.293 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cn(C)nc2C)CC[N@H+]1C ZINC001486337958 1263532620 /nfs/dbraw/zinc/53/26/20/1263532620.db2.gz PPLYWJJEJXIZRV-FGTMMUONSA-N 2 1 365.522 0.710 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cn(C)nc2C)CC[NH+]1C ZINC001486337958 1263532628 /nfs/dbraw/zinc/53/26/28/1263532628.db2.gz PPLYWJJEJXIZRV-FGTMMUONSA-N 2 1 365.522 0.710 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cn(C)nc2C)CC[NH+]1C ZINC001486337958 1263532633 /nfs/dbraw/zinc/53/26/33/1263532633.db2.gz PPLYWJJEJXIZRV-FGTMMUONSA-N 2 1 365.522 0.710 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001318401905 1263570610 /nfs/dbraw/zinc/57/06/10/1263570610.db2.gz HTVIKDCJXQDSJV-OWCLPIDISA-N 2 1 367.538 0.957 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001318401905 1263570614 /nfs/dbraw/zinc/57/06/14/1263570614.db2.gz HTVIKDCJXQDSJV-OWCLPIDISA-N 2 1 367.538 0.957 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001318401905 1263570621 /nfs/dbraw/zinc/57/06/21/1263570621.db2.gz HTVIKDCJXQDSJV-OWCLPIDISA-N 2 1 367.538 0.957 10 0 FCAEMP CCOCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491705954 1263614185 /nfs/dbraw/zinc/61/41/85/1263614185.db2.gz QUMDEQYVNJHGTJ-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001494018510 1263748384 /nfs/dbraw/zinc/74/83/84/1263748384.db2.gz GWLHWAQFHXOBMU-IJEWVQPXSA-N 2 1 361.494 0.676 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001494018510 1263748391 /nfs/dbraw/zinc/74/83/91/1263748391.db2.gz GWLHWAQFHXOBMU-IJEWVQPXSA-N 2 1 361.494 0.676 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001494018510 1263748397 /nfs/dbraw/zinc/74/83/97/1263748397.db2.gz GWLHWAQFHXOBMU-IJEWVQPXSA-N 2 1 361.494 0.676 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001494018510 1263748410 /nfs/dbraw/zinc/74/84/10/1263748410.db2.gz GWLHWAQFHXOBMU-IJEWVQPXSA-N 2 1 361.494 0.676 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C ZINC001494490721 1263771026 /nfs/dbraw/zinc/77/10/26/1263771026.db2.gz XLIBKSAVRMDCNM-FIDHJVLJSA-N 2 1 362.518 0.632 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCNC(=O)C(F)(F)F)C2)CC[N@H+]1C ZINC001494550090 1263772384 /nfs/dbraw/zinc/77/23/84/1263772384.db2.gz DSTHJNWBRBPHNE-DGCLKSJQSA-N 2 1 364.412 0.443 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC(F)(F)F ZINC001494983981 1263793746 /nfs/dbraw/zinc/79/37/46/1263793746.db2.gz ZSKCMYYINGWWTC-RWMBFGLXSA-N 2 1 366.428 0.880 10 0 FCAEMP Cc1nnc(NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001496061716 1263853530 /nfs/dbraw/zinc/85/35/30/1263853530.db2.gz OSXOBAPBGHCCHC-DMDPSCGWSA-N 2 1 368.507 0.562 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001321062886 1263902885 /nfs/dbraw/zinc/90/28/85/1263902885.db2.gz DTYUHRDVZOUCHB-YKVKSRTPSA-N 2 1 362.449 0.954 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC001321062886 1263902889 /nfs/dbraw/zinc/90/28/89/1263902889.db2.gz DTYUHRDVZOUCHB-YKVKSRTPSA-N 2 1 362.449 0.954 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[N@H+]1C ZINC001321062886 1263902894 /nfs/dbraw/zinc/90/28/94/1263902894.db2.gz DTYUHRDVZOUCHB-YKVKSRTPSA-N 2 1 362.449 0.954 10 0 FCAEMP Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497817260 1263952747 /nfs/dbraw/zinc/95/27/47/1263952747.db2.gz BVKVIAACPIPINQ-UXIGCNINSA-N 2 1 364.494 0.410 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001500730469 1264086003 /nfs/dbraw/zinc/08/60/03/1264086003.db2.gz VJSUVJLLPQEGIR-HBFSDRIKSA-N 2 1 361.486 0.267 10 0 FCAEMP C[NH+]1C[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001500730469 1264086009 /nfs/dbraw/zinc/08/60/09/1264086009.db2.gz VJSUVJLLPQEGIR-HBFSDRIKSA-N 2 1 361.486 0.267 10 0 FCAEMP C[NH+]1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001500730469 1264086013 /nfs/dbraw/zinc/08/60/13/1264086013.db2.gz VJSUVJLLPQEGIR-HBFSDRIKSA-N 2 1 361.486 0.267 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CCC2)CC[N@H+]1C ZINC001501952884 1264156852 /nfs/dbraw/zinc/15/68/52/1264156852.db2.gz XSLRIVPBKBRHBA-HRCADAONSA-N 2 1 371.547 0.780 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](C[NH2+]CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001506884410 1264344501 /nfs/dbraw/zinc/34/45/01/1264344501.db2.gz XUWJFWRFVSKBIQ-BQJWPVKWSA-N 2 1 366.506 0.058 10 0 FCAEMP C[C@@H](CCC[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506921010 1264344620 /nfs/dbraw/zinc/34/46/20/1264344620.db2.gz DCSYHXWLAKNLIO-YNEHKIRRSA-N 2 1 368.507 0.691 10 0 FCAEMP C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nncn1C ZINC001508175295 1264398617 /nfs/dbraw/zinc/39/86/17/1264398617.db2.gz ZWLYAWTXRFKWPR-RBSFLKMASA-N 2 1 352.483 0.281 10 0 FCAEMP C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nncn1C ZINC001508175295 1264398625 /nfs/dbraw/zinc/39/86/25/1264398625.db2.gz ZWLYAWTXRFKWPR-RBSFLKMASA-N 2 1 352.483 0.281 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCc3ccnn3C)CCOCC2)CC[N@H+]1C ZINC001325001431 1264754110 /nfs/dbraw/zinc/75/41/10/1264754110.db2.gz DLUBVIUFKVOYTJ-NVXWUHKLSA-N 2 1 363.506 0.558 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001325340023 1264852774 /nfs/dbraw/zinc/85/27/74/1264852774.db2.gz SJLXTEFRCKTESH-YYQUZTFQSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001325340023 1264852794 /nfs/dbraw/zinc/85/27/94/1264852794.db2.gz SJLXTEFRCKTESH-YYQUZTFQSA-N 2 1 362.449 0.944 10 0 FCAEMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001325390261 1264870478 /nfs/dbraw/zinc/87/04/78/1264870478.db2.gz BNDSGRLQHSIUHN-IAOVAPTHSA-N 2 1 362.449 0.755 10 0 FCAEMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001325390261 1264870490 /nfs/dbraw/zinc/87/04/90/1264870490.db2.gz BNDSGRLQHSIUHN-IAOVAPTHSA-N 2 1 362.449 0.755 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC001325391900 1264872862 /nfs/dbraw/zinc/87/28/62/1264872862.db2.gz HBJXYKFSLHCQNB-IWCQGFGOSA-N 2 1 360.433 0.507 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC001325391900 1264872869 /nfs/dbraw/zinc/87/28/69/1264872869.db2.gz HBJXYKFSLHCQNB-IWCQGFGOSA-N 2 1 360.433 0.507 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC001326146613 1265068457 /nfs/dbraw/zinc/06/84/57/1265068457.db2.gz HDDCBSSVKLVSOD-BASLNEPJSA-N 2 1 362.449 0.883 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC001326146613 1265068469 /nfs/dbraw/zinc/06/84/69/1265068469.db2.gz HDDCBSSVKLVSOD-BASLNEPJSA-N 2 1 362.449 0.883 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)cc1 ZINC001326147053 1265068579 /nfs/dbraw/zinc/06/85/79/1265068579.db2.gz JIOKTTORJAJYPS-XOKHGSTOSA-N 2 1 362.449 0.803 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)cc1 ZINC001326147053 1265068585 /nfs/dbraw/zinc/06/85/85/1265068585.db2.gz JIOKTTORJAJYPS-XOKHGSTOSA-N 2 1 362.449 0.803 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001522252199 1266442581 /nfs/dbraw/zinc/44/25/81/1266442581.db2.gz FSCIQFQWAYLAMI-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001522252199 1266442584 /nfs/dbraw/zinc/44/25/84/1266442584.db2.gz FSCIQFQWAYLAMI-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001522252199 1266442591 /nfs/dbraw/zinc/44/25/91/1266442591.db2.gz FSCIQFQWAYLAMI-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001522252199 1266442595 /nfs/dbraw/zinc/44/25/95/1266442595.db2.gz FSCIQFQWAYLAMI-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001522276300 1266459021 /nfs/dbraw/zinc/45/90/21/1266459021.db2.gz ICQGFNWPQMJXKG-HHARLNAUSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC001522675558 1266573036 /nfs/dbraw/zinc/57/30/36/1266573036.db2.gz XTAJYGKETMXPSZ-OIISXLGYSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC001522675558 1266573038 /nfs/dbraw/zinc/57/30/38/1266573038.db2.gz XTAJYGKETMXPSZ-OIISXLGYSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC001522675558 1266573042 /nfs/dbraw/zinc/57/30/42/1266573042.db2.gz XTAJYGKETMXPSZ-OIISXLGYSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)c3cc[nH]c3)CC2)CC[N@@H+]1C ZINC001524046357 1266679907 /nfs/dbraw/zinc/67/99/07/1266679907.db2.gz DUQFQMNHLHTUJG-NVXWUHKLSA-N 2 1 361.490 0.619 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)c3cc[nH]c3)CC2)CC[N@H+]1C ZINC001524046357 1266679914 /nfs/dbraw/zinc/67/99/14/1266679914.db2.gz DUQFQMNHLHTUJG-NVXWUHKLSA-N 2 1 361.490 0.619 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C[N@H+]1C1CC1 ZINC001527518425 1266903451 /nfs/dbraw/zinc/90/34/51/1266903451.db2.gz VBTZAZGLQHHZBL-JSSFPYSZSA-N 2 1 352.479 0.137 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C[NH+]1C1CC1 ZINC001527518425 1266903457 /nfs/dbraw/zinc/90/34/57/1266903457.db2.gz VBTZAZGLQHHZBL-JSSFPYSZSA-N 2 1 352.479 0.137 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C[NH+]1C1CC1 ZINC001527518425 1266903479 /nfs/dbraw/zinc/90/34/79/1266903479.db2.gz VBTZAZGLQHHZBL-JSSFPYSZSA-N 2 1 352.479 0.137 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[NH+]3C)CC2)CC[N@H+]1C ZINC001535595389 1267302976 /nfs/dbraw/zinc/30/29/76/1267302976.db2.gz NHMMAOUHFUXTOG-XHSDSOJGSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC[NH+]1C ZINC001535595389 1267302981 /nfs/dbraw/zinc/30/29/81/1267302981.db2.gz NHMMAOUHFUXTOG-XHSDSOJGSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC[NH+]1C ZINC001535595389 1267302989 /nfs/dbraw/zinc/30/29/89/1267302989.db2.gz NHMMAOUHFUXTOG-XHSDSOJGSA-N 2 1 350.507 0.966 10 0 FCAEMP Cc1cn2nnc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2c(=O)[nH]1 ZINC001542527233 1267498178 /nfs/dbraw/zinc/49/81/78/1267498178.db2.gz UWHRXQRXLAOSAF-UHFFFAOYSA-N 2 1 373.461 0.427 10 0 FCAEMP C[N@@H+]1CC[C@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001340526682 1268576908 /nfs/dbraw/zinc/57/69/08/1268576908.db2.gz BVEHQGQADLKSMR-RRFJBIMHSA-N 2 1 359.474 0.868 10 0 FCAEMP C[N@H+]1CC[C@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001340526682 1268576912 /nfs/dbraw/zinc/57/69/12/1268576912.db2.gz BVEHQGQADLKSMR-RRFJBIMHSA-N 2 1 359.474 0.868 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001341169057 1268827781 /nfs/dbraw/zinc/82/77/81/1268827781.db2.gz UTRFTQSRYMTBHT-GVDBMIGSSA-N 2 1 350.507 0.870 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001341575405 1269090178 /nfs/dbraw/zinc/09/01/78/1269090178.db2.gz PFYJMPATHYVEQC-BRWVUGGUSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001342310377 1269427489 /nfs/dbraw/zinc/42/74/89/1269427489.db2.gz RVVRENWSVKUBCB-HYVNUMGLSA-N 2 1 350.507 0.632 10 0 FCAEMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001342419743 1269466203 /nfs/dbraw/zinc/46/62/03/1269466203.db2.gz MOZFOZRBLXIVFH-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001342419743 1269466205 /nfs/dbraw/zinc/46/62/05/1269466205.db2.gz MOZFOZRBLXIVFH-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001565647496 1269486625 /nfs/dbraw/zinc/48/66/25/1269486625.db2.gz ZWHABIHNYRKZAJ-NQIIRXRSSA-N 2 1 374.529 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NC3CC3)C2)CC[N@H+]1C ZINC001565865380 1269498678 /nfs/dbraw/zinc/49/86/78/1269498678.db2.gz GOCBJKFXAKYNRW-LYHPXFHOSA-N 2 1 350.507 0.868 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001342555227 1269513698 /nfs/dbraw/zinc/51/36/98/1269513698.db2.gz MTEXJOACXRCUQO-DJIMGWMZSA-N 2 1 366.506 0.155 10 0 FCAEMP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1)c1ncccn1 ZINC001565926371 1269522298 /nfs/dbraw/zinc/52/22/98/1269522298.db2.gz JQRRKEPSSOBRPN-HYVNUMGLSA-N 2 1 371.489 0.807 10 0 FCAEMP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001566012781 1269551442 /nfs/dbraw/zinc/55/14/42/1269551442.db2.gz RWKQVWMADISTMS-WCXIOVBPSA-N 2 1 368.522 0.448 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001566012781 1269551447 /nfs/dbraw/zinc/55/14/47/1269551447.db2.gz RWKQVWMADISTMS-WCXIOVBPSA-N 2 1 368.522 0.448 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001566012781 1269551450 /nfs/dbraw/zinc/55/14/50/1269551450.db2.gz RWKQVWMADISTMS-WCXIOVBPSA-N 2 1 368.522 0.448 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001566012781 1269551456 /nfs/dbraw/zinc/55/14/56/1269551456.db2.gz RWKQVWMADISTMS-WCXIOVBPSA-N 2 1 368.522 0.448 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001568056683 1269717816 /nfs/dbraw/zinc/71/78/16/1269717816.db2.gz IVSCCQIHSNJGBV-SOUVJXGZSA-N 2 1 367.494 0.130 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001343014868 1269732211 /nfs/dbraw/zinc/73/22/11/1269732211.db2.gz PRXHCKAVNJTBLS-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CCN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568744100 1269747450 /nfs/dbraw/zinc/74/74/50/1269747450.db2.gz ZWUJQGMJESZUFA-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP 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COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000425381330 247327311 /nfs/dbraw/zinc/32/73/11/247327311.db2.gz FXJJKXNUCURZOK-HOTGVXAUSA-N 2 1 368.522 0.497 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000425381330 247327314 /nfs/dbraw/zinc/32/73/14/247327314.db2.gz FXJJKXNUCURZOK-HOTGVXAUSA-N 2 1 368.522 0.497 10 0 FCAEMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)CC1 ZINC000425543815 247350497 /nfs/dbraw/zinc/35/04/97/247350497.db2.gz OUGDYCYCKKBZGY-GOSISDBHSA-N 2 1 353.507 0.698 10 0 FCAEMP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)n2)CC1 ZINC000452800870 249332626 /nfs/dbraw/zinc/33/26/26/249332626.db2.gz WZAZDSCDVOUGRW-MRXNPFEDSA-N 2 1 361.490 0.410 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000471381631 250098855 /nfs/dbraw/zinc/09/88/55/250098855.db2.gz XENMUZNSXILNNF-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP CC(C)OCC[NH+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000472462312 250151311 /nfs/dbraw/zinc/15/13/11/250151311.db2.gz GTPPEVCJOLUKAQ-UHFFFAOYSA-N 2 1 352.523 0.772 10 0 FCAEMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473747396 250248601 /nfs/dbraw/zinc/24/86/01/250248601.db2.gz SSXXPKOCNMWBNO-QGZVFWFLSA-N 2 1 367.538 0.770 10 0 FCAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473747396 250248604 /nfs/dbraw/zinc/24/86/04/250248604.db2.gz SSXXPKOCNMWBNO-QGZVFWFLSA-N 2 1 367.538 0.770 10 0 FCAEMP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473880253 250255170 /nfs/dbraw/zinc/25/51/70/250255170.db2.gz AFXIJLURBMQYIP-INIZCTEOSA-N 2 1 353.511 0.524 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473880253 250255174 /nfs/dbraw/zinc/25/51/74/250255174.db2.gz AFXIJLURBMQYIP-INIZCTEOSA-N 2 1 353.511 0.524 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000473873256 250255266 /nfs/dbraw/zinc/25/52/66/250255266.db2.gz 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10 0 FCAEMP CC(C)N1CC[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000177678030 209032885 /nfs/dbraw/zinc/03/28/85/209032885.db2.gz PLMHVSXDQYGVEC-KRWDZBQOSA-N 2 1 350.507 0.872 10 0 FCAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178286915 209047910 /nfs/dbraw/zinc/04/79/10/209047910.db2.gz IPAGPERPAOAYRD-KRWDZBQOSA-N 3 1 363.506 0.883 10 0 FCAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000178313346 209048768 /nfs/dbraw/zinc/04/87/68/209048768.db2.gz CGYDIMKVEQDAQO-CWRNSKLLSA-N 2 1 368.503 0.690 10 0 FCAEMP C[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)N(C)C ZINC000179116458 209071894 /nfs/dbraw/zinc/07/18/94/209071894.db2.gz ILSVIGWHBMTIMO-JZWPEALZSA-N 2 1 351.495 0.416 10 0 FCAEMP C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000179281985 209076442 /nfs/dbraw/zinc/07/64/42/209076442.db2.gz IZUUJZXGMKDZNZ-WMZOPIPTSA-N 2 1 367.538 0.375 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1(N2CCOCC2)CCC1 ZINC000363696521 488875733 /nfs/dbraw/zinc/87/57/33/488875733.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 2 1 352.523 0.726 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1(N2CCOCC2)CCC1 ZINC000363696521 488875736 /nfs/dbraw/zinc/87/57/36/488875736.db2.gz FYWLRCIMTQHLCF-UHFFFAOYSA-N 3 1 352.523 0.726 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000328675727 488929477 /nfs/dbraw/zinc/92/94/77/488929477.db2.gz QZMREXQETACSTF-YJBOKZPZSA-N 2 1 353.507 0.791 10 0 FCAEMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cn2)CC1 ZINC000072969809 488383395 /nfs/dbraw/zinc/38/33/95/488383395.db2.gz CLLHVMOWMDFIBF-KRWDZBQOSA-N 2 1 361.490 0.560 10 0 FCAEMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cn2)CC1 ZINC000072969809 488383396 /nfs/dbraw/zinc/38/33/96/488383396.db2.gz CLLHVMOWMDFIBF-KRWDZBQOSA-N 2 1 361.490 0.560 10 0 FCAEMP CC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C[C@H](C)O ZINC000245771467 488466025 /nfs/dbraw/zinc/46/60/25/488466025.db2.gz RVMYUJQSIZURHF-WMZOPIPTSA-N 2 1 362.522 0.505 10 0 FCAEMP CC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1C[C@H](C)O ZINC000245771467 488466026 /nfs/dbraw/zinc/46/60/26/488466026.db2.gz RVMYUJQSIZURHF-WMZOPIPTSA-N 2 1 362.522 0.505 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247084546 488482066 /nfs/dbraw/zinc/48/20/66/488482066.db2.gz PKTPLOIBMVUXMH-WCVJEAGWSA-N 2 1 354.495 0.175 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248577188 488498102 /nfs/dbraw/zinc/49/81/02/488498102.db2.gz QALRFGFZOBYLDZ-CZUORRHYSA-N 2 1 369.535 0.919 10 0 FCAEMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248926715 488504595 /nfs/dbraw/zinc/50/45/95/488504595.db2.gz FZPFFDCBBSBBBC-AEFFLSMTSA-N 2 1 363.506 0.905 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248926715 488504597 /nfs/dbraw/zinc/50/45/97/488504597.db2.gz FZPFFDCBBSBBBC-AEFFLSMTSA-N 2 1 363.506 0.905 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248926715 488504599 /nfs/dbraw/zinc/50/45/99/488504599.db2.gz FZPFFDCBBSBBBC-AEFFLSMTSA-N 2 1 363.506 0.905 10 0 FCAEMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000252801227 488519387 /nfs/dbraw/zinc/51/93/87/488519387.db2.gz ACFYTKFJWPOGNS-ZHALLVOQSA-N 2 1 358.486 0.958 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000111866613 488532716 /nfs/dbraw/zinc/53/27/16/488532716.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000111866613 488532717 /nfs/dbraw/zinc/53/27/17/488532717.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000111866613 488532719 /nfs/dbraw/zinc/53/27/19/488532719.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000111866613 488532721 /nfs/dbraw/zinc/53/27/21/488532721.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000111866613 488532723 /nfs/dbraw/zinc/53/27/23/488532723.db2.gz ZRKULYFROACDEW-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP C[NH+](C)CCn1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000112280521 488533513 /nfs/dbraw/zinc/53/35/13/488533513.db2.gz DCOLTJWBWIYQSQ-UHFFFAOYSA-N 2 1 357.462 0.844 10 0 FCAEMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1OCC(N)=O ZINC000261896773 488540721 /nfs/dbraw/zinc/54/07/21/488540721.db2.gz HFSSGJQUUDNTES-ARFHVFGLSA-N 2 1 363.458 0.806 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC[N@H+]1CCOC ZINC000117495230 488551525 /nfs/dbraw/zinc/55/15/25/488551525.db2.gz ZYJALENAAUZRKV-SJORKVTESA-N 2 1 356.511 0.849 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC[NH+]1CCOC ZINC000117495230 488551527 /nfs/dbraw/zinc/55/15/27/488551527.db2.gz ZYJALENAAUZRKV-SJORKVTESA-N 2 1 356.511 0.849 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC[NH+]1CCOC ZINC000117495230 488551529 /nfs/dbraw/zinc/55/15/29/488551529.db2.gz ZYJALENAAUZRKV-SJORKVTESA-N 2 1 356.511 0.849 10 0 FCAEMP CC[NH+]1CCN(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000119716607 488558584 /nfs/dbraw/zinc/55/85/84/488558584.db2.gz HKQWQLNLKIDROE-LJQANCHMSA-N 2 1 360.502 0.159 10 0 FCAEMP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000125198674 488598893 /nfs/dbraw/zinc/59/88/93/488598893.db2.gz VNOMPGXUXPNSPW-FQEVSTJZSA-N 2 1 374.529 0.897 10 0 FCAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000263135120 488605341 /nfs/dbraw/zinc/60/53/41/488605341.db2.gz BZNPHCTUWAKYGD-NUEKZKHPSA-N 2 1 365.474 0.611 10 0 FCAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1O[C@H](C)C(=O)N(C)C ZINC000263135105 488605370 /nfs/dbraw/zinc/60/53/70/488605370.db2.gz BZNPHCTUWAKYGD-FVQBIDKESA-N 2 1 365.474 0.611 10 0 FCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000263278716 488608788 /nfs/dbraw/zinc/60/87/88/488608788.db2.gz TWVUZBMTVKGHSM-GDBMZVCRSA-N 2 1 358.442 0.918 10 0 FCAEMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cn2)CC1 ZINC000128480375 488624964 /nfs/dbraw/zinc/62/49/64/488624964.db2.gz MTWCQHHWIQXBHD-INIZCTEOSA-N 2 1 356.478 0.732 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cn2)CC1 ZINC000128480375 488624967 /nfs/dbraw/zinc/62/49/67/488624967.db2.gz MTWCQHHWIQXBHD-INIZCTEOSA-N 2 1 356.478 0.732 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000154271412 488740452 /nfs/dbraw/zinc/74/04/52/488740452.db2.gz PLRUZMQSHYKLJD-AWEZNQCLSA-N 2 1 350.467 0.326 10 0 FCAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000154641267 488746058 /nfs/dbraw/zinc/74/60/58/488746058.db2.gz BMHOWTCCCWPJNO-OAHLLOKOSA-N 2 1 373.461 0.579 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563142342 491220588 /nfs/dbraw/zinc/22/05/88/491220588.db2.gz MVVJYRGBYOARHI-BVGQSLNGSA-N 2 1 356.470 0.670 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933307 488828635 /nfs/dbraw/zinc/82/86/35/488828635.db2.gz IORAXRKPIURUBO-MOPGFXCFSA-N 2 1 365.566 0.641 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933307 488828636 /nfs/dbraw/zinc/82/86/36/488828636.db2.gz IORAXRKPIURUBO-MOPGFXCFSA-N 2 1 365.566 0.641 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000172804758 488838244 /nfs/dbraw/zinc/83/82/44/488838244.db2.gz UBDFCDONXZPLLQ-QZTJIDSGSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000172804758 488838245 /nfs/dbraw/zinc/83/82/45/488838245.db2.gz UBDFCDONXZPLLQ-QZTJIDSGSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000172804758 488838246 /nfs/dbraw/zinc/83/82/46/488838246.db2.gz UBDFCDONXZPLLQ-QZTJIDSGSA-N 2 1 352.523 0.630 10 0 FCAEMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000173468056 488842918 /nfs/dbraw/zinc/84/29/18/488842918.db2.gz KAENKZOINCSFNW-RBUKOAKNSA-N 2 1 361.486 0.879 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)C1 ZINC000174862975 488851556 /nfs/dbraw/zinc/85/15/56/488851556.db2.gz RYQSYSFKCXZMRS-QGZVFWFLSA-N 2 1 361.490 0.513 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)C1 ZINC000174862975 488851557 /nfs/dbraw/zinc/85/15/57/488851557.db2.gz RYQSYSFKCXZMRS-QGZVFWFLSA-N 2 1 361.490 0.513 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000175808334 488856105 /nfs/dbraw/zinc/85/61/05/488856105.db2.gz LDMAMJRZTDKWFQ-ZWKOTPCHSA-N 2 1 369.554 0.406 10 0 FCAEMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+]2CCC1CC2 ZINC000329945351 489053346 /nfs/dbraw/zinc/05/33/46/489053346.db2.gz IZTALLNSPYQWFU-QGZVFWFLSA-N 2 1 364.490 0.006 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000570377710 491237020 /nfs/dbraw/zinc/23/70/20/491237020.db2.gz UIWHJZBMOPMMMT-ULQDDVLXSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000370535797 489371725 /nfs/dbraw/zinc/37/17/25/489371725.db2.gz MECPVFWJKDTYSP-KRWDZBQOSA-N 2 1 368.522 0.994 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000570688875 491258004 /nfs/dbraw/zinc/25/80/04/491258004.db2.gz DDRUPVVZVRUVOT-MRXNPFEDSA-N 2 1 356.511 0.897 10 0 FCAEMP CCN(C)C(=O)[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000451313248 489498202 /nfs/dbraw/zinc/49/82/02/489498202.db2.gz MHHBQQAQWJCIAH-AEFFLSMTSA-N 2 1 370.538 0.552 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000451820805 489525642 /nfs/dbraw/zinc/52/56/42/489525642.db2.gz FCPYVORQXPJZGE-ZWKOTPCHSA-N 2 1 354.539 0.876 10 0 FCAEMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000415793795 489553855 /nfs/dbraw/zinc/55/38/55/489553855.db2.gz WTQYFYAXBDOIIA-GOSISDBHSA-N 2 1 366.437 0.726 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000427142973 489596788 /nfs/dbraw/zinc/59/67/88/489596788.db2.gz LFDKKQTUUDTWOW-QZTJIDSGSA-N 2 1 352.523 0.726 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000416996067 489637969 /nfs/dbraw/zinc/63/79/69/489637969.db2.gz MGPVDVIBZDNCFI-UHFFFAOYSA-N 2 1 362.478 0.025 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000457514625 489648177 /nfs/dbraw/zinc/64/81/77/489648177.db2.gz MPXDUBGXQUCXTR-DLBZAZTESA-N 2 1 356.511 0.489 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000457514625 489648179 /nfs/dbraw/zinc/64/81/79/489648179.db2.gz MPXDUBGXQUCXTR-DLBZAZTESA-N 2 1 356.511 0.489 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000457514625 489648183 /nfs/dbraw/zinc/64/81/83/489648183.db2.gz MPXDUBGXQUCXTR-DLBZAZTESA-N 2 1 356.511 0.489 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417382273 489650271 /nfs/dbraw/zinc/65/02/71/489650271.db2.gz JJYMWWPQYSWEFJ-WMZOPIPTSA-N 2 1 360.506 0.891 10 0 FCAEMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCN(C)CC1 ZINC000457606864 489650683 /nfs/dbraw/zinc/65/06/83/489650683.db2.gz HORJTEHWDIXBRW-QZTJIDSGSA-N 2 1 369.554 0.404 10 0 FCAEMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)N1CC[NH+](C)CC1 ZINC000457606864 489650685 /nfs/dbraw/zinc/65/06/85/489650685.db2.gz HORJTEHWDIXBRW-QZTJIDSGSA-N 2 1 369.554 0.404 10 0 FCAEMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)N1CC[NH+](C)CC1 ZINC000457606864 489650686 /nfs/dbraw/zinc/65/06/86/489650686.db2.gz HORJTEHWDIXBRW-QZTJIDSGSA-N 2 1 369.554 0.404 10 0 FCAEMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCN(C)CC1 ZINC000457606869 489651552 /nfs/dbraw/zinc/65/15/52/489651552.db2.gz HORJTEHWDIXBRW-ROUUACIJSA-N 2 1 369.554 0.404 10 0 FCAEMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)N1CC[NH+](C)CC1 ZINC000457606869 489651556 /nfs/dbraw/zinc/65/15/56/489651556.db2.gz HORJTEHWDIXBRW-ROUUACIJSA-N 2 1 369.554 0.404 10 0 FCAEMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)N1CC[NH+](C)CC1 ZINC000457606869 489651559 /nfs/dbraw/zinc/65/15/59/489651559.db2.gz HORJTEHWDIXBRW-ROUUACIJSA-N 2 1 369.554 0.404 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000418020652 489675934 /nfs/dbraw/zinc/67/59/34/489675934.db2.gz GTPHGZVHUGIIDX-MRXNPFEDSA-N 2 1 351.495 0.668 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434421 489683549 /nfs/dbraw/zinc/68/35/49/489683549.db2.gz JMCPGHVJFCTAHV-SJORKVTESA-N 2 1 355.527 0.016 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)CN1CC[NH+](C)CC1 ZINC000458434421 489683550 /nfs/dbraw/zinc/68/35/50/489683550.db2.gz JMCPGHVJFCTAHV-SJORKVTESA-N 2 1 355.527 0.016 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)CN1CC[NH+](C)CC1 ZINC000458434421 489683552 /nfs/dbraw/zinc/68/35/52/489683552.db2.gz JMCPGHVJFCTAHV-SJORKVTESA-N 2 1 355.527 0.016 10 0 FCAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000458513755 489686799 /nfs/dbraw/zinc/68/67/99/489686799.db2.gz WSLSFKDHNQVGIQ-MRXNPFEDSA-N 2 1 356.511 0.584 10 0 FCAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000458513755 489686807 /nfs/dbraw/zinc/68/68/07/489686807.db2.gz WSLSFKDHNQVGIQ-MRXNPFEDSA-N 2 1 356.511 0.584 10 0 FCAEMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418753068 489721952 /nfs/dbraw/zinc/72/19/52/489721952.db2.gz UZQAVBUCPUQWBI-CVEARBPZSA-N 2 1 368.428 0.702 10 0 FCAEMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CCCC1 ZINC000418794963 489728478 /nfs/dbraw/zinc/72/84/78/489728478.db2.gz BYXGUJPHIBDWKB-KRWDZBQOSA-N 2 1 373.501 0.793 10 0 FCAEMP COC(=O)CC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000459398463 489730139 /nfs/dbraw/zinc/73/01/39/489730139.db2.gz KPFYZWQVYMYSQY-HNNXBMFYSA-N 2 1 355.479 0.535 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000418808416 489732886 /nfs/dbraw/zinc/73/28/86/489732886.db2.gz DYXODZNFIDKSLS-FXAWDEMLSA-N 2 1 374.485 0.343 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000418810995 489733927 /nfs/dbraw/zinc/73/39/27/489733927.db2.gz HRUOSUWIWRSUGW-XLIONFOSSA-N 2 1 358.486 0.965 10 0 FCAEMP O=C(C[N@H+]1CCC[C@](O)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000459648949 489744531 /nfs/dbraw/zinc/74/45/31/489744531.db2.gz QHXILSSYMFVYPV-HXUWFJFHSA-N 2 1 361.486 0.718 10 0 FCAEMP O=C(C[N@@H+]1CCC[C@](O)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000459648949 489744535 /nfs/dbraw/zinc/74/45/35/489744535.db2.gz QHXILSSYMFVYPV-HXUWFJFHSA-N 2 1 361.486 0.718 10 0 FCAEMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000418833092 489745610 /nfs/dbraw/zinc/74/56/10/489745610.db2.gz ZUVODVURIPGGTH-PXNSSMCTSA-N 2 1 358.486 0.978 10 0 FCAEMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418861750 489762848 /nfs/dbraw/zinc/76/28/48/489762848.db2.gz NLLVWOVPYVETLO-AEFFLSMTSA-N 2 1 358.486 0.883 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418882798 489773044 /nfs/dbraw/zinc/77/30/44/489773044.db2.gz UFMXFAJAYVZSRJ-DQYPLSBCSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418882798 489773048 /nfs/dbraw/zinc/77/30/48/489773048.db2.gz UFMXFAJAYVZSRJ-DQYPLSBCSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000418885508 489774866 /nfs/dbraw/zinc/77/48/66/489774866.db2.gz YRNCRTOHEJUCBQ-BMGDILEWSA-N 2 1 372.469 0.567 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000418885508 489774869 /nfs/dbraw/zinc/77/48/69/489774869.db2.gz YRNCRTOHEJUCBQ-BMGDILEWSA-N 2 1 372.469 0.567 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418886117 489775880 /nfs/dbraw/zinc/77/58/80/489775880.db2.gz ZWGXWJNHOWSPBM-MSOLQXFVSA-N 2 1 374.485 0.767 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000418886117 489775882 /nfs/dbraw/zinc/77/58/82/489775882.db2.gz ZWGXWJNHOWSPBM-MSOLQXFVSA-N 2 1 374.485 0.767 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987841 489791595 /nfs/dbraw/zinc/79/15/95/489791595.db2.gz NITDQDVEIJCFCL-SQNIBIBYSA-N 2 1 372.579 0.616 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459928082 489797765 /nfs/dbraw/zinc/79/77/65/489797765.db2.gz XGRCPZYBXLUXSR-GBESFXJTSA-N 2 1 370.497 0.882 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459928082 489797767 /nfs/dbraw/zinc/79/77/67/489797767.db2.gz XGRCPZYBXLUXSR-GBESFXJTSA-N 2 1 370.497 0.882 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459928082 489797770 /nfs/dbraw/zinc/79/77/70/489797770.db2.gz XGRCPZYBXLUXSR-GBESFXJTSA-N 2 1 370.497 0.882 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459956770 489803943 /nfs/dbraw/zinc/80/39/43/489803943.db2.gz QSZXDMZNAGCFGP-UHFFFAOYSA-N 2 1 350.507 0.873 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418960995 489805445 /nfs/dbraw/zinc/80/54/45/489805445.db2.gz JMXPAKIQQMNWGZ-UXLLHSPISA-N 2 1 374.485 0.767 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000418960995 489805446 /nfs/dbraw/zinc/80/54/46/489805446.db2.gz JMXPAKIQQMNWGZ-UXLLHSPISA-N 2 1 374.485 0.767 10 0 FCAEMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000418966769 489806382 /nfs/dbraw/zinc/80/63/82/489806382.db2.gz QUNKXWCBPBMXHF-CSNJMZFVSA-N 2 1 356.470 0.858 10 0 FCAEMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000419982134 489871937 /nfs/dbraw/zinc/87/19/37/489871937.db2.gz VAYPLSHESPFLPO-IAGOWNOFSA-N 2 1 367.538 0.105 10 0 FCAEMP CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419994648 489875411 /nfs/dbraw/zinc/87/54/11/489875411.db2.gz HMYVHCSEJOHMDS-QZTJIDSGSA-N 2 1 358.486 0.978 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420003978 489878792 /nfs/dbraw/zinc/87/87/92/489878792.db2.gz UPCGZFKPHLAIBL-HZPDHXFCSA-N 2 1 354.495 0.204 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420003978 489878797 /nfs/dbraw/zinc/87/87/97/489878797.db2.gz UPCGZFKPHLAIBL-HZPDHXFCSA-N 2 1 354.495 0.204 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420100758 489912150 /nfs/dbraw/zinc/91/21/50/489912150.db2.gz KVXZCBQNIDWIRO-FUHWJXTLSA-N 2 1 358.486 0.835 10 0 FCAEMP CCC[C@@]1(CO)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503156 489912577 /nfs/dbraw/zinc/91/25/77/489912577.db2.gz BCRJVEBHNXXSSE-PKOBYXMFSA-N 2 1 355.523 0.944 10 0 FCAEMP 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AKODMDRIXDFMSN-UHFFFAOYSA-N 2 1 374.485 0.345 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000572019928 491343262 /nfs/dbraw/zinc/34/32/62/491343262.db2.gz AKODMDRIXDFMSN-UHFFFAOYSA-N 2 1 374.485 0.345 10 0 FCAEMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987076 491344064 /nfs/dbraw/zinc/34/40/64/491344064.db2.gz NPCSIOZONPZFEX-YESZJQIVSA-N 2 1 374.485 0.884 10 0 FCAEMP CN1CCN(C[C@H](O)C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000572112710 491349251 /nfs/dbraw/zinc/34/92/51/491349251.db2.gz WQGXCHSDUZNFCR-GOSISDBHSA-N 2 1 350.507 0.325 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487685460 490725734 /nfs/dbraw/zinc/72/57/34/490725734.db2.gz CQZXNAIXYPGYIS-FGTMMUONSA-N 2 1 368.522 0.774 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528419003 490797170 /nfs/dbraw/zinc/79/71/70/490797170.db2.gz MZUAKBIKUHFMAX-KRWDZBQOSA-N 2 1 353.507 0.529 10 0 FCAEMP 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0.759 10 0 FCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000519727254 490987097 /nfs/dbraw/zinc/98/70/97/490987097.db2.gz DUSKZPODMAYLRB-MKXAEBJUSA-N 2 1 350.507 0.963 10 0 FCAEMP CC(C)[NH+]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000519727254 490987098 /nfs/dbraw/zinc/98/70/98/490987098.db2.gz DUSKZPODMAYLRB-MKXAEBJUSA-N 2 1 350.507 0.963 10 0 FCAEMP CC(C)[NH+]1C[C@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000519727254 490987101 /nfs/dbraw/zinc/98/71/01/490987101.db2.gz DUSKZPODMAYLRB-MKXAEBJUSA-N 2 1 350.507 0.963 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000557492688 491378377 /nfs/dbraw/zinc/37/83/77/491378377.db2.gz HLNUGCGWXHQISX-CGZBRXJRSA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000565962420 491409225 /nfs/dbraw/zinc/40/92/25/491409225.db2.gz IUAJZTPNSHJTIJ-KRWDZBQOSA-N 2 1 367.538 0.959 10 0 FCAEMP C[N@@H+](CC[C@@H]1CCNC1=O)[C@H]1CCC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000573101395 491413179 /nfs/dbraw/zinc/41/31/79/491413179.db2.gz KNVMVQLGLKOCFU-BBWFWOEESA-N 2 1 350.507 0.825 10 0 FCAEMP C[NH+](CC[C@@H]1CCNC1=O)[C@H]1CCC[N@H+](CC[C@H]2CCNC2=O)CC1 ZINC000573101395 491413181 /nfs/dbraw/zinc/41/31/81/491413181.db2.gz KNVMVQLGLKOCFU-BBWFWOEESA-N 2 1 350.507 0.825 10 0 FCAEMP C[NH+](CC[C@@H]1CCNC1=O)[C@H]1CCC[N@@H+](CC[C@H]2CCNC2=O)CC1 ZINC000573101395 491413183 /nfs/dbraw/zinc/41/31/83/491413183.db2.gz KNVMVQLGLKOCFU-BBWFWOEESA-N 2 1 350.507 0.825 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000558105826 491414149 /nfs/dbraw/zinc/41/41/49/491414149.db2.gz HEJLOKLXCRDZRO-UHFFFAOYSA-N 2 1 368.522 0.140 10 0 FCAEMP COC[C@@]1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000566204895 491425705 /nfs/dbraw/zinc/42/57/05/491425705.db2.gz NJGGWQWWDWVCSC-FQEVSTJZSA-N 2 1 360.502 0.689 10 0 FCAEMP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCS(=O)(=O)C1 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/nfs/dbraw/zinc/50/46/30/491504630.db2.gz BDZWPKMTXMQLNC-XDNAFOTISA-N 2 1 368.522 0.726 10 0 FCAEMP CN(C(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000574796724 491520662 /nfs/dbraw/zinc/52/06/62/491520662.db2.gz DPOWUHUOUVFUER-HOTGVXAUSA-N 2 1 350.507 0.918 10 0 FCAEMP CN(C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CC[NH+](C2CC2)C1 ZINC000574796724 491520663 /nfs/dbraw/zinc/52/06/63/491520663.db2.gz DPOWUHUOUVFUER-HOTGVXAUSA-N 2 1 350.507 0.918 10 0 FCAEMP CN(C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CC[NH+](C2CC2)C1 ZINC000574796724 491520664 /nfs/dbraw/zinc/52/06/64/491520664.db2.gz DPOWUHUOUVFUER-HOTGVXAUSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000574975774 491531189 /nfs/dbraw/zinc/53/11/89/491531189.db2.gz DSUNSONADZZFTL-QFBILLFUSA-N 2 1 366.506 0.062 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673586702 493348885 /nfs/dbraw/zinc/34/88/85/493348885.db2.gz 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CCC[C@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC[N@@H+]1CCOC ZINC000575319240 491548451 /nfs/dbraw/zinc/54/84/51/491548451.db2.gz NKSOUMCKGRMOMX-HMQMGEFJSA-N 2 1 351.491 0.760 10 0 FCAEMP CCC[C@H]1CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC[N@H+]1CCOC ZINC000575319240 491548453 /nfs/dbraw/zinc/54/84/53/491548453.db2.gz NKSOUMCKGRMOMX-HMQMGEFJSA-N 2 1 351.491 0.760 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000568287644 491566991 /nfs/dbraw/zinc/56/69/91/491566991.db2.gz FJAHEDXPCLASQS-INIZCTEOSA-N 2 1 367.538 0.960 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000668421897 493351501 /nfs/dbraw/zinc/35/15/01/493351501.db2.gz KBQGLOKYZTUUFZ-OAHLLOKOSA-N 2 1 357.458 0.982 10 0 FCAEMP CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000668421897 493351504 /nfs/dbraw/zinc/35/15/04/493351504.db2.gz KBQGLOKYZTUUFZ-OAHLLOKOSA-N 2 1 357.458 0.982 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)NCC(C)(C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000561222520 491585052 /nfs/dbraw/zinc/58/50/52/491585052.db2.gz NVSCTMSGZLNXAL-HOTGVXAUSA-N 2 1 352.523 0.929 10 0 FCAEMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577396412 491618921 /nfs/dbraw/zinc/61/89/21/491618921.db2.gz RWXZZQQZNPSXPJ-OKZBNKHCSA-N 2 1 356.470 0.814 10 0 FCAEMP COC(=O)[C@@](C)(O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000578517407 491678992 /nfs/dbraw/zinc/67/89/92/491678992.db2.gz CEKJAWLRACBJSW-QUCCMNQESA-N 2 1 361.486 0.803 10 0 FCAEMP COC(=O)[C@@](C)(O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000578517407 491678993 /nfs/dbraw/zinc/67/89/93/491678993.db2.gz CEKJAWLRACBJSW-QUCCMNQESA-N 2 1 361.486 0.803 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000578627027 491681164 /nfs/dbraw/zinc/68/11/64/491681164.db2.gz JSBVCGYBSQDHEJ-KRWDZBQOSA-N 2 1 362.474 0.156 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000578729614 491683054 /nfs/dbraw/zinc/68/30/54/491683054.db2.gz 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CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579838218 491706412 /nfs/dbraw/zinc/70/64/12/491706412.db2.gz MYGCMNUEQBVEOO-MBOZVWFJSA-N 2 1 362.518 0.921 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c(=O)n2C ZINC000584623047 491709049 /nfs/dbraw/zinc/70/90/49/491709049.db2.gz XLRNUKBYAFZHMF-CABCVRRESA-N 2 1 374.489 0.288 10 0 FCAEMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000580054973 491714981 /nfs/dbraw/zinc/71/49/81/491714981.db2.gz YEOVELZWSQJZHK-IKGGRYGDSA-N 2 1 357.458 0.298 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000580054973 491714982 /nfs/dbraw/zinc/71/49/82/491714982.db2.gz YEOVELZWSQJZHK-IKGGRYGDSA-N 2 1 357.458 0.298 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H](C)C1 ZINC000584865997 491717933 /nfs/dbraw/zinc/71/79/33/491717933.db2.gz LMRLGSUPVNTDRJ-ZOBUZTSGSA-N 2 1 350.507 0.942 10 0 FCAEMP 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ZINC000601327866 491904631 /nfs/dbraw/zinc/90/46/31/491904631.db2.gz KIGFPOBISNVXIB-MRXNPFEDSA-N 2 1 351.495 0.417 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000613981595 492007296 /nfs/dbraw/zinc/00/72/96/492007296.db2.gz HTHHUBCGMDJNBD-VQHPVUNQSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000613981595 492007298 /nfs/dbraw/zinc/00/72/98/492007298.db2.gz HTHHUBCGMDJNBD-VQHPVUNQSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000613981595 492007300 /nfs/dbraw/zinc/00/73/00/492007300.db2.gz HTHHUBCGMDJNBD-VQHPVUNQSA-N 2 1 350.507 0.824 10 0 FCAEMP Cn1ccnc1[C@@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)C(F)(F)F ZINC000614502921 492033657 /nfs/dbraw/zinc/03/36/57/492033657.db2.gz DUKDQRXFFSXITD-QWHCGFSZSA-N 2 1 359.396 0.962 10 0 FCAEMP Cn1ccnc1[C@@H](CC(=O)NC[C@H]1CN2CCN1CCC2)C(F)(F)F ZINC000614502921 492033658 /nfs/dbraw/zinc/03/36/58/492033658.db2.gz DUKDQRXFFSXITD-QWHCGFSZSA-N 2 1 359.396 0.962 10 0 FCAEMP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000615263788 492082404 /nfs/dbraw/zinc/08/24/04/492082404.db2.gz JFMIPAQXTZWTKH-ZWKOTPCHSA-N 2 1 373.501 0.769 10 0 FCAEMP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000615263788 492082406 /nfs/dbraw/zinc/08/24/06/492082406.db2.gz JFMIPAQXTZWTKH-ZWKOTPCHSA-N 2 1 373.501 0.769 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)C1 ZINC000599173833 492139050 /nfs/dbraw/zinc/13/90/50/492139050.db2.gz ZELAHUXEUUFQQT-QUCCMNQESA-N 2 1 363.502 0.957 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000607231631 492141673 /nfs/dbraw/zinc/14/16/73/492141673.db2.gz KPSXKQHRJZIAMY-UHFFFAOYSA-N 2 1 356.511 0.587 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000617507657 492172717 /nfs/dbraw/zinc/17/27/17/492172717.db2.gz DWPSORAUCOGABM-JXFKEZNVSA-N 2 1 360.502 0.833 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000617507657 492172720 /nfs/dbraw/zinc/17/27/20/492172720.db2.gz DWPSORAUCOGABM-JXFKEZNVSA-N 2 1 360.502 0.833 10 0 FCAEMP Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507274 492173372 /nfs/dbraw/zinc/17/33/72/492173372.db2.gz PDGWZALLDRJSDN-AWEZNQCLSA-N 2 1 361.494 0.916 10 0 FCAEMP Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507274 492173373 /nfs/dbraw/zinc/17/33/73/492173373.db2.gz PDGWZALLDRJSDN-AWEZNQCLSA-N 2 1 361.494 0.916 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000617504248 492173447 /nfs/dbraw/zinc/17/34/47/492173447.db2.gz MHWFHOXHPUSKAL-ZDUSSCGKSA-N 2 1 373.523 0.267 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000617504248 492173448 /nfs/dbraw/zinc/17/34/48/492173448.db2.gz MHWFHOXHPUSKAL-ZDUSSCGKSA-N 2 1 373.523 0.267 10 0 FCAEMP COC(=O)[C@]1(OC)CC[NH+](C/C=C/C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)C1 ZINC000599559417 492187145 /nfs/dbraw/zinc/18/71/45/492187145.db2.gz VCFJKYMTHKNUFD-ZBKUBXTQSA-N 2 1 370.446 0.070 10 0 FCAEMP CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600041185 492236217 /nfs/dbraw/zinc/23/62/17/492236217.db2.gz PKLCJNJNDLMTGM-SJORKVTESA-N 2 1 366.506 0.158 10 0 FCAEMP CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000600041185 492236219 /nfs/dbraw/zinc/23/62/19/492236219.db2.gz PKLCJNJNDLMTGM-SJORKVTESA-N 2 1 366.506 0.158 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N(C)CCOCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000619326226 492260932 /nfs/dbraw/zinc/26/09/32/492260932.db2.gz MTEUXXAKSZACFK-IAGOWNOFSA-N 2 1 368.522 0.261 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)NCCOCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000619326226 492260933 /nfs/dbraw/zinc/26/09/33/492260933.db2.gz MTEUXXAKSZACFK-IAGOWNOFSA-N 2 1 368.522 0.261 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)NCCOCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000619326226 492260935 /nfs/dbraw/zinc/26/09/35/492260935.db2.gz MTEUXXAKSZACFK-IAGOWNOFSA-N 2 1 368.522 0.261 10 0 FCAEMP CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000611027552 492276315 /nfs/dbraw/zinc/27/63/15/492276315.db2.gz AYBIQXUWEQDEKY-LSDHHAIUSA-N 2 1 353.463 0.731 10 0 FCAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627439712 492295777 /nfs/dbraw/zinc/29/57/77/492295777.db2.gz RVGMBFSZADDTFX-MRXNPFEDSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627458453 492304061 /nfs/dbraw/zinc/30/40/61/492304061.db2.gz GUCVCZAWCWQLPY-OKZBNKHCSA-N 2 1 358.486 0.976 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627480133 492315777 /nfs/dbraw/zinc/31/57/77/492315777.db2.gz LGOKLEZVKSVUAI-NJAFHUGGSA-N 2 1 358.486 0.976 10 0 FCAEMP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000627485291 492318606 /nfs/dbraw/zinc/31/86/06/492318606.db2.gz YBUXSWLFLCHZLA-UHFFFAOYSA-N 2 1 368.522 0.583 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000627498705 492324108 /nfs/dbraw/zinc/32/41/08/492324108.db2.gz JYQLKEPVEATYRI-DOTOQJQBSA-N 2 1 350.507 0.968 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000627503732 492325938 /nfs/dbraw/zinc/32/59/38/492325938.db2.gz YZFMOWQGWKUZGP-DZGCQCFKSA-N 2 1 350.488 0.301 10 0 FCAEMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000647597042 492331777 /nfs/dbraw/zinc/33/17/77/492331777.db2.gz FKXGFEGYGHWUHW-HZPDHXFCSA-N 2 1 367.538 0.295 10 0 FCAEMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000620910778 492343305 /nfs/dbraw/zinc/34/33/05/492343305.db2.gz YJPJXTWPPFERRN-DLBZAZTESA-N 2 1 350.507 0.478 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1)c1ccccc1 ZINC000647931821 492384855 /nfs/dbraw/zinc/38/48/55/492384855.db2.gz GEUOKNSXBVUSQB-MRXNPFEDSA-N 2 1 371.489 0.985 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@@H]3C2)C1 ZINC000655115965 492404999 /nfs/dbraw/zinc/40/49/99/492404999.db2.gz SRHLGFSZNOCAHA-USTZCAOPSA-N 2 1 362.518 0.587 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@H]3C2)C1 ZINC000655115965 492405002 /nfs/dbraw/zinc/40/50/02/492405002.db2.gz SRHLGFSZNOCAHA-USTZCAOPSA-N 2 1 362.518 0.587 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)CC2 ZINC000642959817 492407229 /nfs/dbraw/zinc/40/72/29/492407229.db2.gz BQCNAZNHHJXZDF-FZKCQIBNSA-N 2 1 366.506 0.689 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000642960213 492407255 /nfs/dbraw/zinc/40/72/55/492407255.db2.gz VXTGFIVSQUAHKD-QAPCUYQASA-N 2 1 358.486 0.963 10 0 FCAEMP C[NH+]1CCN([C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc2)CC1 ZINC000655299266 492430296 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AYPAGVPYOSRXSI-MRXNPFEDSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658803189 493061907 /nfs/dbraw/zinc/06/19/07/493061907.db2.gz NVKLHIFKELBXAC-HOTGVXAUSA-N 2 1 354.495 0.108 10 0 FCAEMP C[C@H](CNC(=O)NCCOCCC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000626937119 493067338 /nfs/dbraw/zinc/06/73/38/493067338.db2.gz QETBIEHRKMOHIS-QGZVFWFLSA-N 2 1 363.506 0.862 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658821119 493068708 /nfs/dbraw/zinc/06/87/08/493068708.db2.gz JGSFLAAVBUWSCX-MRXNPFEDSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658821119 493068713 /nfs/dbraw/zinc/06/87/13/493068713.db2.gz JGSFLAAVBUWSCX-MRXNPFEDSA-N 2 1 368.522 0.498 10 0 FCAEMP O=C(CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115134 493072542 /nfs/dbraw/zinc/07/25/42/493072542.db2.gz DUAFQKMDWXNCHD-OALUTQOASA-N 2 1 370.497 0.978 10 0 FCAEMP C[NH+](C)CC[C@H](N)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000653124167 493074926 /nfs/dbraw/zinc/07/49/26/493074926.db2.gz SDYBGLCJDYNCOS-KRWDZBQOSA-N 2 1 361.490 0.221 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)NCC3([NH3+])CCOCC3)CC2)nc(C)[nH+]1 ZINC000626994760 493077061 /nfs/dbraw/zinc/07/70/61/493077061.db2.gz IGIASGDDZWQGHB-UHFFFAOYSA-N 2 1 362.478 0.869 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000632723206 493077723 /nfs/dbraw/zinc/07/77/23/493077723.db2.gz MCHBTJCJDDJDLX-UHFFFAOYSA-N 2 1 368.522 0.234 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000632723206 493077727 /nfs/dbraw/zinc/07/77/27/493077727.db2.gz MCHBTJCJDDJDLX-UHFFFAOYSA-N 2 1 368.522 0.234 10 0 FCAEMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cc1 ZINC000653148203 493078034 /nfs/dbraw/zinc/07/80/34/493078034.db2.gz ROLFBJKVOIKSOK-PXNSSMCTSA-N 2 1 359.470 0.966 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117962 493090635 /nfs/dbraw/zinc/09/06/35/493090635.db2.gz MZZGIBSXTQTTKO-SFHVURJKSA-N 2 1 363.506 0.467 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000627117962 493090641 /nfs/dbraw/zinc/09/06/41/493090641.db2.gz MZZGIBSXTQTTKO-SFHVURJKSA-N 2 1 363.506 0.467 10 0 FCAEMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627117902 493091092 /nfs/dbraw/zinc/09/10/92/493091092.db2.gz LVFZMWBRRLDCMK-GOSISDBHSA-N 2 1 363.506 0.419 10 0 FCAEMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627117902 493091093 /nfs/dbraw/zinc/09/10/93/493091093.db2.gz LVFZMWBRRLDCMK-GOSISDBHSA-N 2 1 363.506 0.419 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000627175527 493100834 /nfs/dbraw/zinc/10/08/34/493100834.db2.gz UBJGVMQXBDOVKX-MSOLQXFVSA-N 2 1 364.490 0.405 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627197836 493106207 /nfs/dbraw/zinc/10/62/07/493106207.db2.gz FTOZEOYCGHQCAS-DOTOQJQBSA-N 2 1 365.522 0.713 10 0 FCAEMP [NH3+]CCCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000627215704 493109081 /nfs/dbraw/zinc/10/90/81/493109081.db2.gz MYVRRBMXERJPRN-ROUUACIJSA-N 2 1 364.490 0.534 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000658926873 493112007 /nfs/dbraw/zinc/11/20/07/493112007.db2.gz IADHHJJQGLDILQ-HOTGVXAUSA-N 2 1 368.522 0.545 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000658926595 493112237 /nfs/dbraw/zinc/11/22/37/493112237.db2.gz DKWSIUGYBCLKAP-APWZRJJASA-N 2 1 366.506 0.110 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633093663 493122744 /nfs/dbraw/zinc/12/27/44/493122744.db2.gz VSFISNDHZGUMDU-HNNXBMFYSA-N 2 1 354.495 0.022 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633099109 493124455 /nfs/dbraw/zinc/12/44/55/493124455.db2.gz IJRINNHHMORNNT-HUUCEWRRSA-N 2 1 354.495 0.020 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633099109 493124459 /nfs/dbraw/zinc/12/44/59/493124459.db2.gz IJRINNHHMORNNT-HUUCEWRRSA-N 2 1 354.495 0.020 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)CCCCC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646919854 493126041 /nfs/dbraw/zinc/12/60/41/493126041.db2.gz MDZJCLXDMZCGHI-USTZCAOPSA-N 2 1 362.518 0.872 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)CCCCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000646919854 493126044 /nfs/dbraw/zinc/12/60/44/493126044.db2.gz MDZJCLXDMZCGHI-USTZCAOPSA-N 2 1 362.518 0.872 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)CCCCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000646919854 493126049 /nfs/dbraw/zinc/12/60/49/493126049.db2.gz MDZJCLXDMZCGHI-USTZCAOPSA-N 2 1 362.518 0.872 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646917886 493126482 /nfs/dbraw/zinc/12/64/82/493126482.db2.gz JKSYSRWTCNUDMI-WEVKCVHISA-N 2 1 362.518 0.584 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646917886 493126485 /nfs/dbraw/zinc/12/64/85/493126485.db2.gz JKSYSRWTCNUDMI-WEVKCVHISA-N 2 1 362.518 0.584 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646917886 493126488 /nfs/dbraw/zinc/12/64/88/493126488.db2.gz JKSYSRWTCNUDMI-WEVKCVHISA-N 2 1 362.518 0.584 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633105700 493127700 /nfs/dbraw/zinc/12/77/00/493127700.db2.gz DYTRWUUYNHMBOQ-HNNXBMFYSA-N 2 1 354.495 0.286 10 0 FCAEMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627290774 493135440 /nfs/dbraw/zinc/13/54/40/493135440.db2.gz AYKZPKPFDKFBLU-ZBFHGGJFSA-N 2 1 360.458 0.934 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]1 ZINC000627290392 493135887 /nfs/dbraw/zinc/13/58/87/493135887.db2.gz OQLZPAIUNUDUDZ-HZPDHXFCSA-N 2 1 366.506 0.394 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297078 493139228 /nfs/dbraw/zinc/13/92/28/493139228.db2.gz BCDMYEIUCBSERC-HUUCEWRRSA-N 2 1 366.506 0.380 10 0 FCAEMP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659072196 493140117 /nfs/dbraw/zinc/14/01/17/493140117.db2.gz XAMDYMHZKZNPJY-KRWDZBQOSA-N 2 1 360.458 0.840 10 0 FCAEMP C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659077318 493141978 /nfs/dbraw/zinc/14/19/78/493141978.db2.gz OPMOXFZVLFMJHN-QGZVFWFLSA-N 2 1 358.442 0.664 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084452 493145896 /nfs/dbraw/zinc/14/58/96/493145896.db2.gz ZLBHLZOKYZVYCO-PXNSSMCTSA-N 2 1 372.469 0.840 10 0 FCAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312191 493146886 /nfs/dbraw/zinc/14/68/86/493146886.db2.gz RSUKQTDYXQNJQH-CQSZACIVSA-N 2 1 354.495 0.237 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000627325819 493154407 /nfs/dbraw/zinc/15/44/07/493154407.db2.gz VKDLAMMNSKPWJL-SQWLQELKSA-N 2 1 364.515 0.943 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000627333228 493157829 /nfs/dbraw/zinc/15/78/29/493157829.db2.gz YNPAMBMYPLGRBT-CEXWTWQISA-N 2 1 372.513 0.924 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000627339809 493162659 /nfs/dbraw/zinc/16/26/59/493162659.db2.gz RCEUPLAGDUVGNX-VNHYZAJKSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000627339809 493162662 /nfs/dbraw/zinc/16/26/62/493162662.db2.gz RCEUPLAGDUVGNX-VNHYZAJKSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[NH2+]1 ZINC000627345713 493164837 /nfs/dbraw/zinc/16/48/37/493164837.db2.gz SYKRDYKDHOPJIL-MAUKXSAKSA-N 2 1 374.485 0.392 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000627350856 493169067 /nfs/dbraw/zinc/16/90/67/493169067.db2.gz CYJITVBVCNJWDV-OYRHEFFESA-N 2 1 370.497 0.619 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000627350856 493169076 /nfs/dbraw/zinc/16/90/76/493169076.db2.gz CYJITVBVCNJWDV-OYRHEFFESA-N 2 1 370.497 0.619 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357496 493174649 /nfs/dbraw/zinc/17/46/49/493174649.db2.gz HTYVGBXJCQCFMB-MAUKXSAKSA-N 2 1 358.486 0.808 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@H]1F ZINC000659430435 493174823 /nfs/dbraw/zinc/17/48/23/493174823.db2.gz FGFWTJQMTKCXME-HUUCEWRRSA-N 2 1 365.457 0.069 10 0 FCAEMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659444690 493180420 /nfs/dbraw/zinc/18/04/20/493180420.db2.gz GZHVGQPHIKATIX-UHFFFAOYSA-N 2 1 358.490 0.645 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366872 493181197 /nfs/dbraw/zinc/18/11/97/493181197.db2.gz DQQUSMLKAYKOQH-CIRFHOKZSA-N 2 1 358.486 0.880 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627367148 493181943 /nfs/dbraw/zinc/18/19/43/493181943.db2.gz LPQGYFZFBASCEI-RDJZCZTQSA-N 2 1 362.474 0.105 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627367447 493182545 /nfs/dbraw/zinc/18/25/45/493182545.db2.gz UNTCXOOECPEQSH-SPUZQDLCSA-N 2 1 358.486 0.880 10 0 FCAEMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627394235 493201776 /nfs/dbraw/zinc/20/17/76/493201776.db2.gz AXXUZJBSNXBVHR-ZOCIIQOWSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659592738 493217434 /nfs/dbraw/zinc/21/74/34/493217434.db2.gz MNAPKOKVJQYXTA-BMGDILEWSA-N 2 1 364.465 0.979 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659592738 493217438 /nfs/dbraw/zinc/21/74/38/493217438.db2.gz MNAPKOKVJQYXTA-BMGDILEWSA-N 2 1 364.465 0.979 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639701 493222756 /nfs/dbraw/zinc/22/27/56/493222756.db2.gz FDJXIWUFDKJWIS-CVEARBPZSA-N 2 1 367.538 0.118 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639701 493222759 /nfs/dbraw/zinc/22/27/59/493222759.db2.gz FDJXIWUFDKJWIS-CVEARBPZSA-N 2 1 367.538 0.118 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000667014786 493249067 /nfs/dbraw/zinc/24/90/67/493249067.db2.gz ZOEZMIFLKQABCA-UHFFFAOYSA-N 2 1 362.474 0.650 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000667014786 493249069 /nfs/dbraw/zinc/24/90/69/493249069.db2.gz ZOEZMIFLKQABCA-UHFFFAOYSA-N 2 1 362.474 0.650 10 0 FCAEMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659691526 493255986 /nfs/dbraw/zinc/25/59/86/493255986.db2.gz YJYMFIHUPYYLHY-GNZRSQJKSA-N 2 1 356.470 0.635 10 0 FCAEMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659692874 493256892 /nfs/dbraw/zinc/25/68/92/493256892.db2.gz VXGGJYJVHALAAD-UHFFFAOYSA-N 2 1 372.469 0.003 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659703523 493263545 /nfs/dbraw/zinc/26/35/45/493263545.db2.gz CBUDDPAIQIFYSH-DOTOQJQBSA-N 2 1 362.518 0.825 10 0 FCAEMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659707067 493265474 /nfs/dbraw/zinc/26/54/74/493265474.db2.gz UVYLCTKSNCWVRT-QGZVFWFLSA-N 2 1 366.506 0.063 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659711134 493266835 /nfs/dbraw/zinc/26/68/35/493266835.db2.gz XABWWWUNWDNYGY-RCCFBDPRSA-N 2 1 362.518 0.968 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000673326088 493317044 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/nfs/dbraw/zinc/94/52/97/675945297.db2.gz QBUWVSCJCMFGNL-BBWFWOEESA-N 2 1 357.520 0.786 10 0 FCAEMP O=S(=O)(CC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562598 675945299 /nfs/dbraw/zinc/94/52/99/675945299.db2.gz QBUWVSCJCMFGNL-BBWFWOEESA-N 2 1 357.520 0.786 10 0 FCAEMP [NH3+][C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000903724583 675964021 /nfs/dbraw/zinc/96/40/21/675964021.db2.gz VLFAJAHAGUBKPL-OLZOCXBDSA-N 2 1 362.396 0.279 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[C@H]1C(F)(F)F ZINC000903741045 675965971 /nfs/dbraw/zinc/96/59/71/675965971.db2.gz BMKWANIVJHEOAY-CHWSQXEVSA-N 2 1 362.396 0.421 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1C ZINC000903747121 675966936 /nfs/dbraw/zinc/96/69/36/675966936.db2.gz JOVCAZFLQFDFIG-WUHRBBMRSA-N 2 1 364.412 0.666 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000903750152 675967689 /nfs/dbraw/zinc/96/76/89/675967689.db2.gz HHAFYFSORIJDNE-NDBYEHHHSA-N 2 1 364.412 0.666 10 0 FCAEMP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C(C)C ZINC000903808111 675975218 /nfs/dbraw/zinc/97/52/18/675975218.db2.gz DTPPVTVVQLKJLI-UHFFFAOYSA-N 2 1 366.531 0.891 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903759244 675969140 /nfs/dbraw/zinc/96/91/40/675969140.db2.gz NGSNVMPGTZAREL-NEPJUHHUSA-N 2 1 350.385 0.277 10 0 FCAEMP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884192 675980591 /nfs/dbraw/zinc/98/05/91/675980591.db2.gz UMWRPAODOJVWKE-GJZGRUSLSA-N 2 1 370.523 0.496 10 0 FCAEMP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884192 675980593 /nfs/dbraw/zinc/98/05/93/675980593.db2.gz UMWRPAODOJVWKE-GJZGRUSLSA-N 2 1 370.523 0.496 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cnn1C ZINC000903892097 675980844 /nfs/dbraw/zinc/98/08/44/675980844.db2.gz GQXITXZSXDLBOM-JSGCOSHPSA-N 2 1 361.412 0.941 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cnn1C ZINC000903892097 675980846 /nfs/dbraw/zinc/98/08/46/675980846.db2.gz GQXITXZSXDLBOM-JSGCOSHPSA-N 2 1 361.412 0.941 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cnn1C ZINC000903892099 675980881 /nfs/dbraw/zinc/98/08/81/675980881.db2.gz GQXITXZSXDLBOM-OCCSQVGLSA-N 2 1 361.412 0.941 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cnn1C ZINC000903892099 675980882 /nfs/dbraw/zinc/98/08/82/675980882.db2.gz GQXITXZSXDLBOM-OCCSQVGLSA-N 2 1 361.412 0.941 10 0 FCAEMP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)(C)CN1CCOCC1 ZINC000903898234 675981294 /nfs/dbraw/zinc/98/12/94/675981294.db2.gz MQYFXHJBDOIOQP-INIZCTEOSA-N 2 1 350.511 0.993 10 0 FCAEMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)(C)CN1CCOCC1 ZINC000903898234 675981295 /nfs/dbraw/zinc/98/12/95/675981295.db2.gz MQYFXHJBDOIOQP-INIZCTEOSA-N 2 1 350.511 0.993 10 0 FCAEMP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550051 672136420 /nfs/dbraw/zinc/13/64/20/672136420.db2.gz MWXSTSQWPRMKMJ-MAZHCROVSA-N 2 1 352.479 0.937 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912307 675982022 /nfs/dbraw/zinc/98/20/22/675982022.db2.gz CUDIJIDCTMDQLJ-WBVHZDCISA-N 2 1 369.535 0.346 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912307 675982025 /nfs/dbraw/zinc/98/20/25/675982025.db2.gz CUDIJIDCTMDQLJ-WBVHZDCISA-N 2 1 369.535 0.346 10 0 FCAEMP C[NH+]1CCN(c2ncc(CN3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cn2)CC1 ZINC000903983016 675985771 /nfs/dbraw/zinc/98/57/71/675985771.db2.gz ASNPVADPRRYPKX-KBPBESRZSA-N 2 1 358.412 0.940 10 0 FCAEMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707773 672290404 /nfs/dbraw/zinc/29/04/04/672290404.db2.gz JTJLUDGZRFKZJO-NPJQDHAYSA-N 2 1 350.463 0.358 10 0 FCAEMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707773 672290406 /nfs/dbraw/zinc/29/04/06/672290406.db2.gz JTJLUDGZRFKZJO-NPJQDHAYSA-N 2 1 350.463 0.358 10 0 FCAEMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000866708495 672290412 /nfs/dbraw/zinc/29/04/12/672290412.db2.gz NXTKFEGVFXPBCT-QXSJWSMHSA-N 2 1 352.479 0.887 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C[C@H]1C ZINC000867514845 672329481 /nfs/dbraw/zinc/32/94/81/672329481.db2.gz QSSQNRCFHARQMM-LTIDMASMSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H]1C ZINC000867514845 672329504 /nfs/dbraw/zinc/32/95/04/672329504.db2.gz QSSQNRCFHARQMM-LTIDMASMSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C[C@H]1C ZINC000867514845 672329509 /nfs/dbraw/zinc/32/95/09/672329509.db2.gz QSSQNRCFHARQMM-LTIDMASMSA-N 2 1 350.507 0.870 10 0 FCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000867542019 672334283 /nfs/dbraw/zinc/33/42/83/672334283.db2.gz ZLWVTWZMUZCGDJ-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000867542019 672334285 /nfs/dbraw/zinc/33/42/85/672334285.db2.gz ZLWVTWZMUZCGDJ-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000867542019 672334289 /nfs/dbraw/zinc/33/42/89/672334289.db2.gz ZLWVTWZMUZCGDJ-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867707124 672357422 /nfs/dbraw/zinc/35/74/22/672357422.db2.gz GKOKPFLAMHCKAA-CVEARBPZSA-N 2 1 350.507 0.872 10 0 FCAEMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C)C(C)(C)CC3)C2)C1 ZINC000867742887 672361152 /nfs/dbraw/zinc/36/11/52/672361152.db2.gz ZKQUNZWMBJASQC-LJQANCHMSA-N 2 1 350.507 0.873 10 0 FCAEMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[N@H+](C)C(C)(C)CC3)C2)C1 ZINC000867742887 672361154 /nfs/dbraw/zinc/36/11/54/672361154.db2.gz ZKQUNZWMBJASQC-LJQANCHMSA-N 2 1 350.507 0.873 10 0 FCAEMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[N@@H+](C)C(C)(C)CC3)C2)C1 ZINC000867742887 672361155 /nfs/dbraw/zinc/36/11/55/672361155.db2.gz ZKQUNZWMBJASQC-LJQANCHMSA-N 2 1 350.507 0.873 10 0 FCAEMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000868362725 672395596 /nfs/dbraw/zinc/39/55/96/672395596.db2.gz FKSLPJKGIUSAFT-LJQANCHMSA-N 2 1 350.507 0.764 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868358230 672395613 /nfs/dbraw/zinc/39/56/13/672395613.db2.gz FAUYYWAULQSBSV-FGTMMUONSA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868358230 672395615 /nfs/dbraw/zinc/39/56/15/672395615.db2.gz FAUYYWAULQSBSV-FGTMMUONSA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868358230 672395616 /nfs/dbraw/zinc/39/56/16/672395616.db2.gz FAUYYWAULQSBSV-FGTMMUONSA-N 2 1 351.539 0.996 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872188739 672598060 /nfs/dbraw/zinc/59/80/60/672598060.db2.gz BPQDMJWRWHLUIW-VOAKCMCISA-N 2 1 364.412 0.381 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872190717 672599391 /nfs/dbraw/zinc/59/93/91/672599391.db2.gz FBILOXUJMCQEQH-YNEHKIRRSA-N 2 1 364.412 0.382 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000872194804 672602818 /nfs/dbraw/zinc/60/28/18/672602818.db2.gz FNVBASUMPBHQAL-YVECIDJPSA-N 2 1 362.396 0.135 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872196646 672604259 /nfs/dbraw/zinc/60/42/59/672604259.db2.gz WKBJMFMTIMJUGF-XQQFMLRXSA-N 2 1 364.412 0.525 10 0 FCAEMP CC1(C)[C@@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925569301 673793795 /nfs/dbraw/zinc/79/37/95/673793795.db2.gz FRNMGJZLNXCXOY-MVJTYMMSSA-N 2 1 350.507 0.286 10 0 FCAEMP CC1(C)[C@@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925569300 673793921 /nfs/dbraw/zinc/79/39/21/673793921.db2.gz FRNMGJZLNXCXOY-LMSBXDPUSA-N 2 1 350.507 0.286 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)NCCCCC[NH+]2CCNCC2)cn1 ZINC000926049992 673809920 /nfs/dbraw/zinc/80/99/20/673809920.db2.gz KJMHYTAUTWEJHB-UHFFFAOYSA-N 2 1 351.499 0.642 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[C@H]1C[NH3+] ZINC000926351161 673825828 /nfs/dbraw/zinc/82/58/28/673825828.db2.gz GNKMLXQMWZOPJE-PVAVHDDUSA-N 2 1 350.507 0.620 10 0 FCAEMP C[C@H](O)C1CC[NH+](CC(=O)NC[C@H](C)[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000929621718 673968018 /nfs/dbraw/zinc/96/80/18/673968018.db2.gz QLDJNBSOGBKEFW-JYJNAYRXSA-N 2 1 355.523 0.677 10 0 FCAEMP 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YYWGTRNLFHFFNQ-LUKYLMHMSA-N 2 1 350.507 0.727 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001488939993 1208578800 /nfs/dbraw/zinc/57/88/00/1208578800.db2.gz OCPQYNSGBZWKKD-ARFHVFGLSA-N 2 1 368.503 0.501 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001488968677 1208590803 /nfs/dbraw/zinc/59/08/03/1208590803.db2.gz RKXYGLLTIBMONP-LSDHHAIUSA-N 2 1 371.445 0.495 10 0 FCAEMP Cn1cc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2[NH2+]CCCF)cn1 ZINC001488982635 1208599001 /nfs/dbraw/zinc/59/90/01/1208599001.db2.gz ZSYGPXAGUJJDNL-DLBZAZTESA-N 2 1 367.469 0.386 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001489015953 1208607702 /nfs/dbraw/zinc/60/77/02/1208607702.db2.gz BARCXAPNQVAVIJ-GVDBMIGSSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)N2CCC2)C1 ZINC001489056219 1208615964 /nfs/dbraw/zinc/61/59/64/1208615964.db2.gz MUCGZKDPQUHBIH-IKGGRYGDSA-N 2 1 366.506 0.156 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NCCCOC ZINC001489145250 1208643880 /nfs/dbraw/zinc/64/38/80/1208643880.db2.gz QGDPIKVPXIRNDD-HRCADAONSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NCCCOC ZINC001489145250 1208643887 /nfs/dbraw/zinc/64/38/87/1208643887.db2.gz QGDPIKVPXIRNDD-HRCADAONSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NCCCOC ZINC001489145250 1208643897 /nfs/dbraw/zinc/64/38/97/1208643897.db2.gz QGDPIKVPXIRNDD-HRCADAONSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NCCCOC ZINC001489145250 1208643902 /nfs/dbraw/zinc/64/39/02/1208643902.db2.gz QGDPIKVPXIRNDD-HRCADAONSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001489264329 1208704281 /nfs/dbraw/zinc/70/42/81/1208704281.db2.gz WZXVHAIYUWTLAP-OIISXLGYSA-N 2 1 365.522 0.615 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001489529251 1208884245 /nfs/dbraw/zinc/88/42/45/1208884245.db2.gz ADRZHPDGXNTMRS-OWCLPIDISA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001489529251 1208884247 /nfs/dbraw/zinc/88/42/47/1208884247.db2.gz ADRZHPDGXNTMRS-OWCLPIDISA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001489529251 1208884248 /nfs/dbraw/zinc/88/42/48/1208884248.db2.gz ADRZHPDGXNTMRS-OWCLPIDISA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001489529250 1208884415 /nfs/dbraw/zinc/88/44/15/1208884415.db2.gz ADRZHPDGXNTMRS-BZUAXINKSA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001489529250 1208884418 /nfs/dbraw/zinc/88/44/18/1208884418.db2.gz ADRZHPDGXNTMRS-BZUAXINKSA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001489529250 1208884420 /nfs/dbraw/zinc/88/44/20/1208884420.db2.gz ADRZHPDGXNTMRS-BZUAXINKSA-N 2 1 354.495 0.153 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001489746219 1209094489 /nfs/dbraw/zinc/09/44/89/1209094489.db2.gz SYWQRQKEOLLDDW-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001489879490 1209099038 /nfs/dbraw/zinc/09/90/38/1209099038.db2.gz YFZBUGYKQWLKBW-YESZJQIVSA-N 2 1 350.507 0.825 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001489879099 1209138399 /nfs/dbraw/zinc/13/83/99/1209138399.db2.gz IHKAAMSYVUGQPQ-JKSUJKDBSA-N 2 1 361.490 0.934 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001489926480 1209158269 /nfs/dbraw/zinc/15/82/69/1209158269.db2.gz SYIBHRMNACAWGZ-RBSFLKMASA-N 2 1 363.462 0.026 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001490033791 1209217727 /nfs/dbraw/zinc/21/77/27/1209217727.db2.gz DNOLTTTWIAGJOD-IKGGRYGDSA-N 2 1 350.507 0.729 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001490042125 1209223131 /nfs/dbraw/zinc/22/31/31/1209223131.db2.gz WBDSPJBSCYYZPT-ZACQAIPSSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001490042125 1209223134 /nfs/dbraw/zinc/22/31/34/1209223134.db2.gz WBDSPJBSCYYZPT-ZACQAIPSSA-N 2 1 350.507 0.585 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001490042125 1209223136 /nfs/dbraw/zinc/22/31/36/1209223136.db2.gz WBDSPJBSCYYZPT-ZACQAIPSSA-N 2 1 350.507 0.585 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001490045518 1209225889 /nfs/dbraw/zinc/22/58/89/1209225889.db2.gz WFLQYPLCECZZRT-SJORKVTESA-N 2 1 362.518 0.731 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)CC[C@@H]2C1 ZINC001490051309 1209228728 /nfs/dbraw/zinc/22/87/28/1209228728.db2.gz QGTBGTFXRHPFAW-SJORKVTESA-N 2 1 368.522 0.213 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001490102409 1209230263 /nfs/dbraw/zinc/23/02/63/1209230263.db2.gz JTOKSZJMVFPUAK-CVEARBPZSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001490103996 1209231468 /nfs/dbraw/zinc/23/14/68/1209231468.db2.gz QHEPNJMYKCZWNM-VYDXJSESSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490103996 1209231472 /nfs/dbraw/zinc/23/14/72/1209231472.db2.gz QHEPNJMYKCZWNM-VYDXJSESSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490103996 1209231475 /nfs/dbraw/zinc/23/14/75/1209231475.db2.gz QHEPNJMYKCZWNM-VYDXJSESSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001490103995 1209231594 /nfs/dbraw/zinc/23/15/94/1209231594.db2.gz QHEPNJMYKCZWNM-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001490103995 1209231597 /nfs/dbraw/zinc/23/15/97/1209231597.db2.gz QHEPNJMYKCZWNM-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001490103995 1209231598 /nfs/dbraw/zinc/23/15/98/1209231598.db2.gz QHEPNJMYKCZWNM-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001490340512 1209325190 /nfs/dbraw/zinc/32/51/90/1209325190.db2.gz GCGREYKTYWBUGW-NXHRZFHOSA-N 2 1 364.534 0.881 10 0 FCAEMP COCCOC[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001490407360 1209345236 /nfs/dbraw/zinc/34/52/36/1209345236.db2.gz LMWLGYDCAYIAHP-BPQIPLTHSA-N 2 1 371.522 0.273 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001490482986 1209357724 /nfs/dbraw/zinc/35/77/24/1209357724.db2.gz DFLCZRKLYDVGCH-GPMSIDNRSA-N 2 1 350.507 0.920 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001490613780 1209388753 /nfs/dbraw/zinc/38/87/53/1209388753.db2.gz RVPNQYRODHRXDM-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001490613780 1209388755 /nfs/dbraw/zinc/38/87/55/1209388755.db2.gz RVPNQYRODHRXDM-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001490613780 1209388759 /nfs/dbraw/zinc/38/87/59/1209388759.db2.gz RVPNQYRODHRXDM-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001490714860 1209411707 /nfs/dbraw/zinc/41/17/07/1209411707.db2.gz DAYJHICUAJMZOO-YVSFHVDLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001490714860 1209411712 /nfs/dbraw/zinc/41/17/12/1209411712.db2.gz DAYJHICUAJMZOO-YVSFHVDLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001490714860 1209411715 /nfs/dbraw/zinc/41/17/15/1209411715.db2.gz DAYJHICUAJMZOO-YVSFHVDLSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001490695248 1209416743 /nfs/dbraw/zinc/41/67/43/1209416743.db2.gz YUANBNVVKMIIAZ-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001490770517 1209427296 /nfs/dbraw/zinc/42/72/96/1209427296.db2.gz LMQXESGLPDMCLJ-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001490770517 1209427299 /nfs/dbraw/zinc/42/72/99/1209427299.db2.gz LMQXESGLPDMCLJ-WCXIOVBPSA-N 2 1 366.506 0.297 10 0 FCAEMP CC[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852871849 1209570454 /nfs/dbraw/zinc/57/04/54/1209570454.db2.gz CSJNBNCZLVVDJR-RYRKJORJSA-N 2 1 360.458 0.886 10 0 FCAEMP CC[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852871849 1209570459 /nfs/dbraw/zinc/57/04/59/1209570459.db2.gz CSJNBNCZLVVDJR-RYRKJORJSA-N 2 1 360.458 0.886 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000852872109 1209570796 /nfs/dbraw/zinc/57/07/96/1209570796.db2.gz IEDQOSRAOIEFBD-XJKSGUPXSA-N 2 1 362.430 0.498 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000852872109 1209570804 /nfs/dbraw/zinc/57/08/04/1209570804.db2.gz IEDQOSRAOIEFBD-XJKSGUPXSA-N 2 1 362.430 0.498 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593357 1209716592 /nfs/dbraw/zinc/71/65/92/1209716592.db2.gz RNSCQUFPEBMWRK-CZUORRHYSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593357 1209716594 /nfs/dbraw/zinc/71/65/94/1209716594.db2.gz RNSCQUFPEBMWRK-CZUORRHYSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593357 1209716599 /nfs/dbraw/zinc/71/65/99/1209716599.db2.gz RNSCQUFPEBMWRK-CZUORRHYSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593357 1209716604 /nfs/dbraw/zinc/71/66/04/1209716604.db2.gz RNSCQUFPEBMWRK-CZUORRHYSA-N 2 1 363.462 0.831 10 0 FCAEMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)NC(N)=O)C2)ccn1 ZINC000856599017 1209717958 /nfs/dbraw/zinc/71/79/58/1209717958.db2.gz LTJHWORNXMHHFZ-MRXNPFEDSA-N 2 1 363.462 0.960 10 0 FCAEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)NC(N)=O)C2)ccn1 ZINC000856599017 1209717960 /nfs/dbraw/zinc/71/79/60/1209717960.db2.gz LTJHWORNXMHHFZ-MRXNPFEDSA-N 2 1 363.462 0.960 10 0 FCAEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)NC(N)=O)C2)ccn1 ZINC000856599017 1209717966 /nfs/dbraw/zinc/71/79/66/1209717966.db2.gz LTJHWORNXMHHFZ-MRXNPFEDSA-N 2 1 363.462 0.960 10 0 FCAEMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707627 1210001762 /nfs/dbraw/zinc/00/17/62/1210001762.db2.gz IVPBYFKXWYFHIF-XBVQOTNRSA-N 2 1 358.442 0.905 10 0 FCAEMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707627 1210001769 /nfs/dbraw/zinc/00/17/69/1210001769.db2.gz IVPBYFKXWYFHIF-XBVQOTNRSA-N 2 1 358.442 0.905 10 0 FCAEMP O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706944 1210002490 /nfs/dbraw/zinc/00/24/90/1210002490.db2.gz DISBDXZSVMFRJG-BDXSIMOUSA-N 2 1 370.453 0.873 10 0 FCAEMP O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706944 1210002493 /nfs/dbraw/zinc/00/24/93/1210002493.db2.gz DISBDXZSVMFRJG-BDXSIMOUSA-N 2 1 370.453 0.873 10 0 FCAEMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707569 1210002519 /nfs/dbraw/zinc/00/25/19/1210002519.db2.gz ILWLSJVLWXEAEM-DDBAPUKQSA-N 2 1 372.469 0.900 10 0 FCAEMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707569 1210002521 /nfs/dbraw/zinc/00/25/21/1210002521.db2.gz ILWLSJVLWXEAEM-DDBAPUKQSA-N 2 1 372.469 0.900 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710375 1210003525 /nfs/dbraw/zinc/00/35/25/1210003525.db2.gz PTNHZWSMZDEXRK-WCXIOVBPSA-N 2 1 356.426 0.659 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710375 1210003532 /nfs/dbraw/zinc/00/35/32/1210003532.db2.gz PTNHZWSMZDEXRK-WCXIOVBPSA-N 2 1 356.426 0.659 10 0 FCAEMP Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2=O)cc1 ZINC000866714841 1210004726 /nfs/dbraw/zinc/00/47/26/1210004726.db2.gz YQQFNVBAUPVJCO-XDNAFOTISA-N 2 1 370.453 0.967 10 0 FCAEMP Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2=O)cc1 ZINC000866714841 1210004730 /nfs/dbraw/zinc/00/47/30/1210004730.db2.gz YQQFNVBAUPVJCO-XDNAFOTISA-N 2 1 370.453 0.967 10 0 FCAEMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000868231402 1210045298 /nfs/dbraw/zinc/04/52/98/1210045298.db2.gz FPLHRFVCXYIZOW-ZWKOTPCHSA-N 2 1 372.469 0.763 10 0 FCAEMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868234657 1210045477 /nfs/dbraw/zinc/04/54/77/1210045477.db2.gz XGVGAQSDTKTQKF-FHLIZLRMSA-N 2 1 373.501 0.582 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCC1(C)C ZINC000868299041 1210050377 /nfs/dbraw/zinc/05/03/77/1210050377.db2.gz YSCKHZKUZQNEBM-AWEZNQCLSA-N 2 1 359.474 0.779 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC[C@H]21 ZINC000868309861 1210051280 /nfs/dbraw/zinc/05/12/80/1210051280.db2.gz NOAWYLYDPUWDOX-KBAYOESNSA-N 2 1 372.469 0.839 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)CC[C@H]21 ZINC000868387045 1210059002 /nfs/dbraw/zinc/05/90/02/1210059002.db2.gz OBJCTYBHJVJDNM-ZWKOTPCHSA-N 2 1 358.486 0.917 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000868392062 1210061486 /nfs/dbraw/zinc/06/14/86/1210061486.db2.gz QVZRKIMHDYXEOE-PLYYQAHHSA-N 2 1 374.460 0.631 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)CC[C@H]21 ZINC000868410508 1210063462 /nfs/dbraw/zinc/06/34/62/1210063462.db2.gz NCGMYKSRJILHDN-XMTFNYHQSA-N 2 1 362.518 0.777 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)CC1 ZINC000870884370 1210121153 /nfs/dbraw/zinc/12/11/53/1210121153.db2.gz WPAUEPUTPJUDRR-UWVAXJGDSA-N 2 1 362.518 0.907 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872188638 1210176188 /nfs/dbraw/zinc/17/61/88/1210176188.db2.gz BGHPWLSHEPVGKL-MGPUTAFESA-N 2 1 372.469 0.828 10 0 FCAEMP 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C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC000926291969 1211527309 /nfs/dbraw/zinc/52/73/09/1211527309.db2.gz QQHOZFLHRVZOBE-PKOBYXMFSA-N 2 1 372.513 0.817 10 0 FCAEMP CN(C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000926332641 1211532865 /nfs/dbraw/zinc/53/28/65/1211532865.db2.gz LVHAKTWYXMDZTK-JKSUJKDBSA-N 2 1 364.490 0.038 10 0 FCAEMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926343151 1211535928 /nfs/dbraw/zinc/53/59/28/1211535928.db2.gz DGSYYEPFGRCEAA-IBGZPJMESA-N 2 1 364.490 0.054 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926365031 1211539675 /nfs/dbraw/zinc/53/96/75/1211539675.db2.gz RTOFEJOEUMFQMS-BEFAXECRSA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926365031 1211539681 /nfs/dbraw/zinc/53/96/81/1211539681.db2.gz RTOFEJOEUMFQMS-BEFAXECRSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927641853 1211578711 /nfs/dbraw/zinc/57/87/11/1211578711.db2.gz MCZRWQQWPFSYHM-KRWDZBQOSA-N 2 1 368.522 0.992 10 0 FCAEMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000927813258 1211582821 /nfs/dbraw/zinc/58/28/21/1211582821.db2.gz USUWLVJHDOMWRV-ATNYBXOESA-N 2 1 374.485 0.958 10 0 FCAEMP C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000927816982 1211583291 /nfs/dbraw/zinc/58/32/91/1211583291.db2.gz XVKLVPPHOYHGKO-INMHGKMJSA-N 2 1 374.485 0.990 10 0 FCAEMP O=C(Nc1ccc(F)cn1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927832967 1211584183 /nfs/dbraw/zinc/58/41/83/1211584183.db2.gz PEPDMHVQLPYELY-GASCZTMLSA-N 2 1 361.421 0.586 10 0 FCAEMP O=C(Nc1ccc(F)cn1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927832967 1211584186 /nfs/dbraw/zinc/58/41/86/1211584186.db2.gz PEPDMHVQLPYELY-GASCZTMLSA-N 2 1 361.421 0.586 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCCCC1 ZINC000929604574 1211649777 /nfs/dbraw/zinc/64/97/77/1211649777.db2.gz DVYZPCWTQLKXHX-IKGGRYGDSA-N 2 1 366.506 0.035 10 0 FCAEMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930818528 1211723141 /nfs/dbraw/zinc/72/31/41/1211723141.db2.gz IMSYJFYONHYYHP-SJORKVTESA-N 2 1 371.441 0.008 10 0 FCAEMP Cn1[nH]c(=O)c2c1C[NH+](C/C=C/C[N@H+]1CCc3c(=O)[nH]n(C)c3C1)CC2 ZINC000931192692 1211744968 /nfs/dbraw/zinc/74/49/68/1211744968.db2.gz JHOJHRAKIYZHBM-ONEGZZNKSA-N 2 1 358.446 0.537 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931403238 1211752739 /nfs/dbraw/zinc/75/27/39/1211752739.db2.gz LXJFJEWVCDQHTM-NEWSRXKRSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931403238 1211752740 /nfs/dbraw/zinc/75/27/40/1211752740.db2.gz LXJFJEWVCDQHTM-NEWSRXKRSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)[C@H](CO)C1 ZINC000931403238 1211752741 /nfs/dbraw/zinc/75/27/41/1211752741.db2.gz LXJFJEWVCDQHTM-NEWSRXKRSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C)[C@H](CO)C1 ZINC000931403238 1211752742 /nfs/dbraw/zinc/75/27/42/1211752742.db2.gz LXJFJEWVCDQHTM-NEWSRXKRSA-N 2 1 360.502 0.374 10 0 FCAEMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931406480 1211753848 /nfs/dbraw/zinc/75/38/48/1211753848.db2.gz QAKNJBSEAROFJL-FXAWDEMLSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931406480 1211753854 /nfs/dbraw/zinc/75/38/54/1211753854.db2.gz QAKNJBSEAROFJL-FXAWDEMLSA-N 2 1 374.529 0.764 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000575138426 1211934228 /nfs/dbraw/zinc/93/42/28/1211934228.db2.gz BEBAMKAZMNUSIR-DLBZAZTESA-N 2 1 365.522 0.903 10 0 FCAEMP COC(=O)CCCc1nc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000779649185 1212804203 /nfs/dbraw/zinc/80/42/03/1212804203.db2.gz IVQORDYMEBTXQC-LBPRGKRZSA-N 2 1 369.422 0.673 10 0 FCAEMP COC(=O)CCCc1nc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000779649185 1212804206 /nfs/dbraw/zinc/80/42/06/1212804206.db2.gz IVQORDYMEBTXQC-LBPRGKRZSA-N 2 1 369.422 0.673 10 0 FCAEMP COC(=O)CCCc1nc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000779649183 1212804469 /nfs/dbraw/zinc/80/44/69/1212804469.db2.gz IVQORDYMEBTXQC-GFCCVEGCSA-N 2 1 369.422 0.673 10 0 FCAEMP COC(=O)CCCc1nc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000779649183 1212804470 /nfs/dbraw/zinc/80/44/70/1212804470.db2.gz IVQORDYMEBTXQC-GFCCVEGCSA-N 2 1 369.422 0.673 10 0 FCAEMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000900176704 1217967739 /nfs/dbraw/zinc/96/77/39/1217967739.db2.gz CYKXMJVISBSFRD-LJQANCHMSA-N 2 1 362.474 0.763 10 0 FCAEMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900675501 1218022520 /nfs/dbraw/zinc/02/25/20/1218022520.db2.gz SCHTZCIEPWUSRZ-FXAWDEMLSA-N 2 1 374.485 0.906 10 0 FCAEMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900675501 1218022523 /nfs/dbraw/zinc/02/25/23/1218022523.db2.gz SCHTZCIEPWUSRZ-FXAWDEMLSA-N 2 1 374.485 0.906 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900703732 1218028252 /nfs/dbraw/zinc/02/82/52/1218028252.db2.gz OJUVGUJYDWQWCO-QUCCMNQESA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cn1 ZINC000900832540 1218044226 /nfs/dbraw/zinc/04/42/26/1218044226.db2.gz VWDHAQVIBAMUJQ-CVEARBPZSA-N 2 1 362.478 0.516 10 0 FCAEMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900903391 1218051633 /nfs/dbraw/zinc/05/16/33/1218051633.db2.gz HHGHJBTWMMBYGW-AZUAARDMSA-N 2 1 361.486 0.715 10 0 FCAEMP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495913 1218426456 /nfs/dbraw/zinc/42/64/56/1218426456.db2.gz BUFRODOEJCTNST-HUUCEWRRSA-N 2 1 362.474 0.975 10 0 FCAEMP Cn1cc(N2CCC[C@H](N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)C2=O)cn1 ZINC000903508322 1218430467 /nfs/dbraw/zinc/43/04/67/1218430467.db2.gz CCXCJMICELIITH-SCTDSRPQSA-N 2 1 372.517 0.816 10 0 FCAEMP CN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903716307 1218505146 /nfs/dbraw/zinc/50/51/46/1218505146.db2.gz VRPDUTAQJAJCJW-IYBDPMFKSA-N 2 1 360.458 0.665 10 0 FCAEMP CN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903716307 1218505149 /nfs/dbraw/zinc/50/51/49/1218505149.db2.gz VRPDUTAQJAJCJW-IYBDPMFKSA-N 2 1 360.458 0.665 10 0 FCAEMP Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903778094 1218523130 /nfs/dbraw/zinc/52/31/30/1218523130.db2.gz HMFOHZOWSKTSCX-CALCHBBNSA-N 2 1 374.485 0.974 10 0 FCAEMP Cc1ccoc1CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903778094 1218523135 /nfs/dbraw/zinc/52/31/35/1218523135.db2.gz HMFOHZOWSKTSCX-CALCHBBNSA-N 2 1 374.485 0.974 10 0 FCAEMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903886821 1218560020 /nfs/dbraw/zinc/56/00/20/1218560020.db2.gz TWAXTYUUOJQPMW-DJIMGWMZSA-N 2 1 365.522 0.709 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804050599 1219102694 /nfs/dbraw/zinc/10/26/94/1219102694.db2.gz JWXHOFJONSNGCE-SJJHQCBESA-N 2 1 366.506 0.202 10 0 FCAEMP C[C@H](CCC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277194130 1225868176 /nfs/dbraw/zinc/86/81/76/1225868176.db2.gz VBXBHMIQLKXXIT-RBSFLKMASA-N 2 1 362.478 0.630 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001491464144 1220140973 /nfs/dbraw/zinc/14/09/73/1220140973.db2.gz WPLIJRIJLDOAIJ-BHYGNILZSA-N 2 1 361.490 0.522 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001118122024 1221715508 /nfs/dbraw/zinc/71/55/08/1221715508.db2.gz MWDRHTJNDHMHSJ-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130234 1221716666 /nfs/dbraw/zinc/71/66/66/1221716666.db2.gz SSCKKUYTOFSKTG-MRXNPFEDSA-N 2 1 366.506 0.204 10 0 FCAEMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCC3CCC3)C2)CC1 ZINC001118130234 1221716670 /nfs/dbraw/zinc/71/66/70/1221716670.db2.gz SSCKKUYTOFSKTG-MRXNPFEDSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+]1CCC(N2CCC([NH2+]Cc3cn(C[C@H]4CCOC4)nn3)CC2)CC1 ZINC001118926838 1221845644 /nfs/dbraw/zinc/84/56/44/1221845644.db2.gz BVMMCCYMADAQBQ-MRXNPFEDSA-N 2 1 362.522 0.963 10 0 FCAEMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC001118931253 1221845997 /nfs/dbraw/zinc/84/59/97/1221845997.db2.gz BSHHWOYORFCPNW-FUHWJXTLSA-N 2 1 358.486 0.896 10 0 FCAEMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H]1C[NH+](C)CCN1C ZINC001119454751 1221918947 /nfs/dbraw/zinc/91/89/47/1221918947.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 1 362.522 0.206 10 0 FCAEMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001119454751 1221918951 /nfs/dbraw/zinc/91/89/51/1221918951.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 1 362.522 0.206 10 0 FCAEMP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001119454751 1221918953 /nfs/dbraw/zinc/91/89/53/1221918953.db2.gz MQXZQHIRRUIPQY-DZOHQFGASA-N 2 1 362.522 0.206 10 0 FCAEMP Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001119544337 1221931010 /nfs/dbraw/zinc/93/10/10/1221931010.db2.gz LVEXTMFNXIKHMR-YJBOKZPZSA-N 2 1 359.478 0.882 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)C3)[C@@H]2C1 ZINC000839776412 1222756900 /nfs/dbraw/zinc/75/69/00/1222756900.db2.gz KUSGNAVLOOELED-JWXAEQQXSA-N 2 1 374.529 0.728 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N4CC[C@@H]5C[N@H+](C)C[C@H]54)C3)[C@@H]2C1 ZINC000839776412 1222756904 /nfs/dbraw/zinc/75/69/04/1222756904.db2.gz KUSGNAVLOOELED-JWXAEQQXSA-N 2 1 374.529 0.728 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@H]54)C3)[C@@H]2C1 ZINC000839776412 1222756908 /nfs/dbraw/zinc/75/69/08/1222756908.db2.gz KUSGNAVLOOELED-JWXAEQQXSA-N 2 1 374.529 0.728 10 0 FCAEMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841244234 1222816193 /nfs/dbraw/zinc/81/61/93/1222816193.db2.gz PFSSQUCUSCHPRI-YOEHRIQHSA-N 2 1 359.474 0.715 10 0 FCAEMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000843258489 1222867262 /nfs/dbraw/zinc/86/72/62/1222867262.db2.gz GHCWFURWCXDVDZ-SOLBZPMBSA-N 2 1 372.469 0.051 10 0 FCAEMP CC(=O)NCCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586850 1223578023 /nfs/dbraw/zinc/57/80/23/1223578023.db2.gz QOFVUPOWZOMROG-OIISXLGYSA-N 2 1 368.522 0.306 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586850 1223578024 /nfs/dbraw/zinc/57/80/24/1223578024.db2.gz QOFVUPOWZOMROG-OIISXLGYSA-N 2 1 368.522 0.306 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586850 1223578025 /nfs/dbraw/zinc/57/80/25/1223578025.db2.gz QOFVUPOWZOMROG-OIISXLGYSA-N 2 1 368.522 0.306 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000849561133 1245401397 /nfs/dbraw/zinc/40/13/97/1245401397.db2.gz DMAHHFRDLLEJHW-IAGOWNOFSA-N 2 1 371.489 0.538 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000849561133 1245401403 /nfs/dbraw/zinc/40/14/03/1245401403.db2.gz DMAHHFRDLLEJHW-IAGOWNOFSA-N 2 1 371.489 0.538 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849563556 1245401586 /nfs/dbraw/zinc/40/15/86/1245401586.db2.gz KYRSNMWAFYVZDV-FGTMMUONSA-N 2 1 363.506 0.371 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849563556 1245401592 /nfs/dbraw/zinc/40/15/92/1245401592.db2.gz KYRSNMWAFYVZDV-FGTMMUONSA-N 2 1 363.506 0.371 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849568020 1245401630 /nfs/dbraw/zinc/40/16/30/1245401630.db2.gz LRUATJWLIQPCEJ-SCTDSRPQSA-N 2 1 365.522 0.663 10 0 FCAEMP CC[NH+](CC)CCOCCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849571573 1245402317 /nfs/dbraw/zinc/40/23/17/1245402317.db2.gz HHWALSVIQYGKNE-ZWKOTPCHSA-N 2 1 365.522 0.930 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000919643201 1245610676 /nfs/dbraw/zinc/61/06/76/1245610676.db2.gz RCXYSPKUIAVXTH-DLBZAZTESA-N 2 1 368.522 0.992 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C4(O)CCOCC4)CC3)cn2)CC1 ZINC000922596637 1245683553 /nfs/dbraw/zinc/68/35/53/1245683553.db2.gz OSWARDHIBGOGFG-UHFFFAOYSA-N 2 1 361.490 0.640 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC000923199414 1245700501 /nfs/dbraw/zinc/70/05/01/1245700501.db2.gz RGRBKVHNCDDTLX-GOEBONIOSA-N 2 1 369.510 0.788 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC000923199414 1245700507 /nfs/dbraw/zinc/70/05/07/1245700507.db2.gz RGRBKVHNCDDTLX-GOEBONIOSA-N 2 1 369.510 0.788 10 0 FCAEMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000923199767 1245700992 /nfs/dbraw/zinc/70/09/92/1245700992.db2.gz WKFXVAFENNBXIS-FUHWJXTLSA-N 2 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000923199767 1245700997 /nfs/dbraw/zinc/70/09/97/1245700997.db2.gz WKFXVAFENNBXIS-FUHWJXTLSA-N 3 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000923199767 1245701002 /nfs/dbraw/zinc/70/10/02/1245701002.db2.gz WKFXVAFENNBXIS-FUHWJXTLSA-N 3 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923199767 1245701008 /nfs/dbraw/zinc/70/10/08/1245701008.db2.gz WKFXVAFENNBXIS-FUHWJXTLSA-N 3 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000923199767 1245701017 /nfs/dbraw/zinc/70/10/17/1245701017.db2.gz WKFXVAFENNBXIS-FUHWJXTLSA-N 3 1 369.554 0.811 10 0 FCAEMP CNC(=O)[C@H](NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923451171 1245719900 /nfs/dbraw/zinc/71/99/00/1245719900.db2.gz ZLUHHBAHYAEHJX-FUHWJXTLSA-N 2 1 374.485 0.420 10 0 FCAEMP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465374 1245722457 /nfs/dbraw/zinc/72/24/57/1245722457.db2.gz YZPSLRIBIQGNTH-CYBMUJFWSA-N 2 1 363.462 0.475 10 0 FCAEMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@@]([NH3+])(CO)C3)CC2)c1 ZINC000923479002 1245723324 /nfs/dbraw/zinc/72/33/24/1245723324.db2.gz VISATUBSHTXCNY-FQEVSTJZSA-N 2 1 360.502 0.425 10 0 FCAEMP O[C@@H]1CC[NH+](C2CCN(CCN3CCC([N@H+]4CC[C@H](O)C4)CC3)CC2)C1 ZINC001327914147 1265452042 /nfs/dbraw/zinc/45/20/42/1265452042.db2.gz VBFAYRQTMFMUFY-BGYRXZFFSA-N 2 1 366.550 0.048 10 0 FCAEMP O[C@@H]1CC[N@@H+](C2CCN(CCN3CCC([NH+]4CC[C@H](O)C4)CC3)CC2)C1 ZINC001327914147 1265452047 /nfs/dbraw/zinc/45/20/47/1265452047.db2.gz VBFAYRQTMFMUFY-BGYRXZFFSA-N 2 1 366.550 0.048 10 0 FCAEMP O[C@@H]1CC[N@H+](C2CCN(CCN3CCC([NH+]4CC[C@H](O)C4)CC3)CC2)C1 ZINC001327914147 1265452053 /nfs/dbraw/zinc/45/20/53/1265452053.db2.gz VBFAYRQTMFMUFY-BGYRXZFFSA-N 2 1 366.550 0.048 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C)CC1 ZINC001519686035 1265750617 /nfs/dbraw/zinc/75/06/17/1265750617.db2.gz CTFSVWHMCVMWKB-WBVHZDCISA-N 2 1 353.511 0.175 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2CC([NH+]3CCOCC3)C2)cn1 ZINC001329507990 1265771362 /nfs/dbraw/zinc/77/13/62/1265771362.db2.gz OAWHMRFBJGMHLT-FOIPXRHGSA-N 2 1 361.490 0.435 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2CC([NH+]3CCOCC3)C2)cn1 ZINC001329507990 1265771372 /nfs/dbraw/zinc/77/13/72/1265771372.db2.gz OAWHMRFBJGMHLT-FOIPXRHGSA-N 2 1 361.490 0.435 10 0 FCAEMP 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CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316824924 1263492456 /nfs/dbraw/zinc/49/24/56/1263492456.db2.gz YUZWFTOMFVQLAJ-RBSFLKMASA-N 2 1 369.510 0.387 10 0 FCAEMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001316824924 1263492459 /nfs/dbraw/zinc/49/24/59/1263492459.db2.gz YUZWFTOMFVQLAJ-RBSFLKMASA-N 2 1 369.510 0.387 10 0 FCAEMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001316824924 1263492463 /nfs/dbraw/zinc/49/24/63/1263492463.db2.gz YUZWFTOMFVQLAJ-RBSFLKMASA-N 2 1 369.510 0.387 10 0 FCAEMP COCCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001484946679 1263493873 /nfs/dbraw/zinc/49/38/73/1263493873.db2.gz YFKIEGUOONZJOB-SJLPKXTDSA-N 2 1 352.523 0.582 10 0 FCAEMP Cc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001317240535 1263504886 /nfs/dbraw/zinc/50/48/86/1263504886.db2.gz GTFFDPSYIMRZDJ-YSVLISHTSA-N 2 1 364.490 0.981 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001317445996 1263510905 /nfs/dbraw/zinc/51/09/05/1263510905.db2.gz QFNWHXVBMRHZOD-LSDHHAIUSA-N 2 1 369.510 0.247 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001317445996 1263510908 /nfs/dbraw/zinc/51/09/08/1263510908.db2.gz QFNWHXVBMRHZOD-LSDHHAIUSA-N 2 1 369.510 0.247 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(=O)NCC(C)C)CC[NH+]1C ZINC001317445996 1263510916 /nfs/dbraw/zinc/51/09/16/1263510916.db2.gz QFNWHXVBMRHZOD-LSDHHAIUSA-N 2 1 369.510 0.247 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NCC(C)C)CC[NH+]1C ZINC001317445996 1263510924 /nfs/dbraw/zinc/51/09/24/1263510924.db2.gz QFNWHXVBMRHZOD-LSDHHAIUSA-N 2 1 369.510 0.247 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccn(-c3ccccc3)n2)CC[N@@H+]1C ZINC001485995644 1263520545 /nfs/dbraw/zinc/52/05/45/1263520545.db2.gz JHBIHYAGNIKNBW-SZVBFZGTSA-N 2 1 371.485 0.779 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccn(-c3ccccc3)n2)CC[N@H+]1C ZINC001485995644 1263520550 /nfs/dbraw/zinc/52/05/50/1263520550.db2.gz JHBIHYAGNIKNBW-SZVBFZGTSA-N 2 1 371.485 0.779 10 0 FCAEMP CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001486143878 1263527177 /nfs/dbraw/zinc/52/71/77/1263527177.db2.gz FLKNQHMIYJRITF-RCJHGTSTSA-N 2 1 350.507 0.966 10 0 FCAEMP CCNC(=O)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001486143878 1263527182 /nfs/dbraw/zinc/52/71/82/1263527182.db2.gz FLKNQHMIYJRITF-RCJHGTSTSA-N 2 1 350.507 0.966 10 0 FCAEMP CCNC(=O)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001486143878 1263527186 /nfs/dbraw/zinc/52/71/86/1263527186.db2.gz FLKNQHMIYJRITF-RCJHGTSTSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cnc(C)cn2)CC[N@@H+]1C ZINC001486336614 1263533276 /nfs/dbraw/zinc/53/32/76/1263533276.db2.gz AKTGHRXSHVTGME-FGTMMUONSA-N 2 1 363.506 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cnc(C)cn2)CC[N@H+]1C ZINC001486336614 1263533284 /nfs/dbraw/zinc/53/32/84/1263533284.db2.gz AKTGHRXSHVTGME-FGTMMUONSA-N 2 1 363.506 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cnc(C)cn2)CC[NH+]1C ZINC001486336614 1263533288 /nfs/dbraw/zinc/53/32/88/1263533288.db2.gz AKTGHRXSHVTGME-FGTMMUONSA-N 2 1 363.506 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cnc(C)cn2)CC[NH+]1C ZINC001486336614 1263533293 /nfs/dbraw/zinc/53/32/93/1263533293.db2.gz AKTGHRXSHVTGME-FGTMMUONSA-N 2 1 363.506 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2ccnn2C)CC[N@@H+]1C ZINC001486337169 1263533479 /nfs/dbraw/zinc/53/34/79/1263533479.db2.gz HSPGKSYFUXRKEA-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2ccnn2C)CC[N@H+]1C ZINC001486337169 1263533482 /nfs/dbraw/zinc/53/34/82/1263533482.db2.gz HSPGKSYFUXRKEA-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001486337169 1263533490 /nfs/dbraw/zinc/53/34/90/1263533490.db2.gz HSPGKSYFUXRKEA-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001486337169 1263533498 /nfs/dbraw/zinc/53/34/98/1263533498.db2.gz HSPGKSYFUXRKEA-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001318401904 1263570210 /nfs/dbraw/zinc/57/02/10/1263570210.db2.gz HTVIKDCJXQDSJV-BZUAXINKSA-N 2 1 367.538 0.957 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001318401904 1263570213 /nfs/dbraw/zinc/57/02/13/1263570213.db2.gz HTVIKDCJXQDSJV-BZUAXINKSA-N 2 1 367.538 0.957 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001318401904 1263570215 /nfs/dbraw/zinc/57/02/15/1263570215.db2.gz HTVIKDCJXQDSJV-BZUAXINKSA-N 2 1 367.538 0.957 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001493782924 1263741678 /nfs/dbraw/zinc/74/16/78/1263741678.db2.gz FSRLSEIRWBNWNZ-WCXIOVBPSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001494225492 1263759057 /nfs/dbraw/zinc/75/90/57/1263759057.db2.gz KDQXRABENCUKOP-XUWVNRHRSA-N 2 1 350.507 0.964 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001494980776 1263793436 /nfs/dbraw/zinc/79/34/36/1263793436.db2.gz HILJLTDXKQPOKZ-JHJVBQTASA-N 2 1 366.428 0.880 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001496064454 1263852094 /nfs/dbraw/zinc/85/20/94/1263852094.db2.gz RUTQQNKSHRMMEP-HZSPNIEDSA-N 2 1 351.451 0.780 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001496396508 1263878318 /nfs/dbraw/zinc/87/83/18/1263878318.db2.gz QGPWEIIAUFAJPR-BRWVUGGUSA-N 2 1 365.522 0.713 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N2CCCC[C@H]2C)CC[N@H+]1C ZINC001497586164 1263940801 /nfs/dbraw/zinc/94/08/01/1263940801.db2.gz TUAOULVHDZZSNR-VMIJOWMCSA-N 2 1 350.507 0.990 10 0 FCAEMP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001498119540 1263963417 /nfs/dbraw/zinc/96/34/17/1263963417.db2.gz OLGMWJMYMWVILE-JQHSSLGASA-N 2 1 358.486 0.658 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001499117173 1264005175 /nfs/dbraw/zinc/00/51/75/1264005175.db2.gz JYVNOBKSVPKFAZ-VNHYZAJKSA-N 2 1 365.478 0.701 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001499117173 1264005188 /nfs/dbraw/zinc/00/51/88/1264005188.db2.gz JYVNOBKSVPKFAZ-VNHYZAJKSA-N 2 1 365.478 0.701 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499986343 1264051928 /nfs/dbraw/zinc/05/19/28/1264051928.db2.gz KBCASLAOAIOYKK-NVXWUHKLSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001322051701 1264138888 /nfs/dbraw/zinc/13/88/88/1264138888.db2.gz CCHJSWYCCZBLEH-RDJZCZTQSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1C ZINC001322051701 1264138890 /nfs/dbraw/zinc/13/88/90/1264138890.db2.gz CCHJSWYCCZBLEH-RDJZCZTQSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1C ZINC001322051701 1264138896 /nfs/dbraw/zinc/13/88/96/1264138896.db2.gz CCHJSWYCCZBLEH-RDJZCZTQSA-N 2 1 367.538 0.070 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001502415553 1264171011 /nfs/dbraw/zinc/17/10/11/1264171011.db2.gz ZOYTZBJUFGCVAB-IVMMDQJWSA-N 2 1 365.478 0.701 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001502415553 1264171015 /nfs/dbraw/zinc/17/10/15/1264171015.db2.gz ZOYTZBJUFGCVAB-IVMMDQJWSA-N 2 1 365.478 0.701 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001502571144 1264176749 /nfs/dbraw/zinc/17/67/49/1264176749.db2.gz ZCDMNHANBMBVPI-YQVWRLOYSA-N 2 1 363.506 0.594 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001502571144 1264176752 /nfs/dbraw/zinc/17/67/52/1264176752.db2.gz ZCDMNHANBMBVPI-YQVWRLOYSA-N 2 1 363.506 0.594 10 0 FCAEMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001322780128 1264263140 /nfs/dbraw/zinc/26/31/40/1264263140.db2.gz JHBDJBWMWHRIEO-NZSAHSFTSA-N 2 1 370.497 0.943 10 0 FCAEMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC001322780128 1264263146 /nfs/dbraw/zinc/26/31/46/1264263146.db2.gz JHBDJBWMWHRIEO-NZSAHSFTSA-N 2 1 370.497 0.943 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC1CCOCC1 ZINC001505921982 1264283747 /nfs/dbraw/zinc/28/37/47/1264283747.db2.gz DJONFXRXRKZWIQ-SQWLQELKSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NC1CCOCC1 ZINC001505921982 1264283752 /nfs/dbraw/zinc/28/37/52/1264283752.db2.gz DJONFXRXRKZWIQ-SQWLQELKSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NC1CCOCC1 ZINC001505921982 1264283756 /nfs/dbraw/zinc/28/37/56/1264283756.db2.gz DJONFXRXRKZWIQ-SQWLQELKSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NC1CCOCC1 ZINC001505921982 1264283761 /nfs/dbraw/zinc/28/37/61/1264283761.db2.gz DJONFXRXRKZWIQ-SQWLQELKSA-N 2 1 354.495 0.058 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001506085547 1264290922 /nfs/dbraw/zinc/29/09/22/1264290922.db2.gz QYLLXSNTPTVFKW-OWCLPIDISA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001506085547 1264290930 /nfs/dbraw/zinc/29/09/30/1264290930.db2.gz QYLLXSNTPTVFKW-OWCLPIDISA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001506085547 1264290938 /nfs/dbraw/zinc/29/09/38/1264290938.db2.gz QYLLXSNTPTVFKW-OWCLPIDISA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](C[C@H]3CCCOC3)C2)CC[N@H+]1C ZINC001506096513 1264291918 /nfs/dbraw/zinc/29/19/18/1264291918.db2.gz PMIQDFZANNDRPN-IXDOHACOSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1)C(=O)NC(N)=O ZINC001506504258 1264324753 /nfs/dbraw/zinc/32/47/53/1264324753.db2.gz CEKQGFIWQLVDBQ-MGPQQGTHSA-N 2 1 367.494 0.319 10 0 FCAEMP C[C@@H](CCC[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506924482 1264347450 /nfs/dbraw/zinc/34/74/50/1264347450.db2.gz WIJVJUVZCOXVLO-RRFJBIMHSA-N 2 1 364.494 0.523 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCNC(=O)NC(C)C)CC[N@H+]1C ZINC001507080368 1264349161 /nfs/dbraw/zinc/34/91/61/1264349161.db2.gz XXRKXBZXJVDBPV-OWCLPIDISA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH2+]CCCO)CC[N@H+]1C ZINC001508155758 1264398440 /nfs/dbraw/zinc/39/84/40/1264398440.db2.gz XXBJAZHWAAWUKN-IXDOHACOSA-N 2 1 368.522 0.186 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C ZINC001508885915 1264425076 /nfs/dbraw/zinc/42/50/76/1264425076.db2.gz RYGMUCYJCJOKNO-HRCADAONSA-N 2 1 350.507 0.776 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001325341310 1264852333 /nfs/dbraw/zinc/85/23/33/1264852333.db2.gz YMWLTWYVTWERMS-IRXDYDNUSA-N 2 1 362.449 0.803 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001325341310 1264852351 /nfs/dbraw/zinc/85/23/51/1264852351.db2.gz YMWLTWYVTWERMS-IRXDYDNUSA-N 2 1 362.449 0.803 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)cc1 ZINC001325700821 1264973689 /nfs/dbraw/zinc/97/36/89/1264973689.db2.gz ABHHOXOEUXAOBR-RRQGHBQHSA-N 2 1 362.449 0.803 10 0 FCAEMP 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CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000246547852 209390027 /nfs/dbraw/zinc/39/00/27/209390027.db2.gz TVRHZHSOXJSWQS-FUHWJXTLSA-N 2 1 352.523 0.628 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@H](C[NH3+])C3)cc2F)CC1 ZINC000368378393 216239248 /nfs/dbraw/zinc/23/92/48/216239248.db2.gz ZHLDZRYORAYKBG-OAHLLOKOSA-N 2 1 350.438 0.767 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000415254565 245367633 /nfs/dbraw/zinc/36/76/33/245367633.db2.gz KUNNYZJDZGRNPA-INIZCTEOSA-N 2 1 362.474 0.698 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415255132 245368679 /nfs/dbraw/zinc/36/86/79/245368679.db2.gz LXGKDXLGFMXIDQ-QGZVFWFLSA-N 2 1 360.458 0.234 10 0 FCAEMP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000415257778 245371941 /nfs/dbraw/zinc/37/19/41/245371941.db2.gz QTCGPKKTTHRIJA-KRWDZBQOSA-N 2 1 362.474 0.698 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418907623 245902857 /nfs/dbraw/zinc/90/28/57/245902857.db2.gz GXSGBNHHOBYAQX-YJBOKZPZSA-N 2 1 374.485 0.249 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136682 246011246 /nfs/dbraw/zinc/01/12/46/246011246.db2.gz PLGANQZYMODHEZ-BPQIPLTHSA-N 2 1 358.486 0.881 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CCC(F)(F)F ZINC000419212645 246057158 /nfs/dbraw/zinc/05/71/58/246057158.db2.gz VCZRTWMBRHEJRO-NWDGAFQWSA-N 2 1 352.401 0.491 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CCC(F)(F)F ZINC000419212645 246057160 /nfs/dbraw/zinc/05/71/60/246057160.db2.gz VCZRTWMBRHEJRO-NWDGAFQWSA-N 2 1 352.401 0.491 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419204384 246050957 /nfs/dbraw/zinc/05/09/57/246050957.db2.gz HVHKRRDNNTXMMQ-NJAFHUGGSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419234041 246070498 /nfs/dbraw/zinc/07/04/98/246070498.db2.gz LQPVYTNPCHQCFB-RKVPGOIHSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419234041 246070504 /nfs/dbraw/zinc/07/05/04/246070504.db2.gz LQPVYTNPCHQCFB-RKVPGOIHSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419234043 246071013 /nfs/dbraw/zinc/07/10/13/246071013.db2.gz LQPVYTNPCHQCFB-VKJFTORMSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419234043 246071019 /nfs/dbraw/zinc/07/10/19/246071019.db2.gz LQPVYTNPCHQCFB-VKJFTORMSA-N 2 1 358.486 0.664 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[N@H+]1C1CC1 ZINC000419313887 246094860 /nfs/dbraw/zinc/09/48/60/246094860.db2.gz GYGMLTICFNREKX-GOEBONIOSA-N 2 1 359.474 0.419 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000419440859 246165666 /nfs/dbraw/zinc/16/56/66/246165666.db2.gz LNEYKTXWGHYBND-CVEARBPZSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419531501 246192762 /nfs/dbraw/zinc/19/27/62/246192762.db2.gz KXVUWYZQEZBPMM-LMSBXDPUSA-N 2 1 358.486 0.737 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419473304 246175932 /nfs/dbraw/zinc/17/59/32/246175932.db2.gz AEFWOWVQAVAUGW-VVLHAWIVSA-N 2 1 352.523 0.975 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419529572 246193730 /nfs/dbraw/zinc/19/37/30/246193730.db2.gz CYQQHTHKWJPQKJ-QGZVFWFLSA-N 2 1 362.474 0.201 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419552156 246200466 /nfs/dbraw/zinc/20/04/66/246200466.db2.gz YGZNIWMBTWIXIF-QGZVFWFLSA-N 2 1 368.522 0.642 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419719315 246268518 /nfs/dbraw/zinc/26/85/18/246268518.db2.gz CEWKFYBRWDXJAA-ZWKOTPCHSA-N 2 1 371.485 0.688 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419719315 246268525 /nfs/dbraw/zinc/26/85/25/246268525.db2.gz CEWKFYBRWDXJAA-ZWKOTPCHSA-N 2 1 371.485 0.688 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419705206 246260953 /nfs/dbraw/zinc/26/09/53/246260953.db2.gz IPWHBYPTLSCERD-YJBOKZPZSA-N 2 1 358.486 0.976 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419758268 246286388 /nfs/dbraw/zinc/28/63/88/246286388.db2.gz JVEVZOIFVGJATE-BBRMVZONSA-N 2 1 350.438 0.488 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000419765434 246291255 /nfs/dbraw/zinc/29/12/55/246291255.db2.gz XKOJHKZNUJYQHO-CALCHBBNSA-N 2 1 362.449 0.727 10 0 FCAEMP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000419733679 246276024 /nfs/dbraw/zinc/27/60/24/246276024.db2.gz OLLXFINFAXWTFI-INIZCTEOSA-N 2 1 362.474 0.626 10 0 FCAEMP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419831358 246309301 /nfs/dbraw/zinc/30/93/01/246309301.db2.gz LPXIZFOFEFRKLK-IAGOWNOFSA-N 2 1 367.538 0.247 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000419829743 246309455 /nfs/dbraw/zinc/30/94/55/246309455.db2.gz FHKLNUHRDODDPO-UHFFFAOYSA-N 2 1 354.454 0.949 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419850793 246322614 /nfs/dbraw/zinc/32/26/14/246322614.db2.gz MQDAHGPBHYINCC-UHFFFAOYSA-N 2 1 359.474 0.232 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000419932710 246376410 /nfs/dbraw/zinc/37/64/10/246376410.db2.gz QDVDSOLZGREOSR-KRWDZBQOSA-N 2 1 367.453 0.855 10 0 FCAEMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000423636259 247085263 /nfs/dbraw/zinc/08/52/63/247085263.db2.gz FYXPFFYYYTXTQJ-QGZVFWFLSA-N 2 1 359.474 0.499 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424538835 247255873 /nfs/dbraw/zinc/25/58/73/247255873.db2.gz DRRNXZJZLCXOCS-DSLXNQLJSA-N 2 1 370.497 0.834 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452387993 249316894 /nfs/dbraw/zinc/31/68/94/249316894.db2.gz ISWQYWRFTQYBBY-RBUKOAKNSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452387993 249316896 /nfs/dbraw/zinc/31/68/96/249316896.db2.gz ISWQYWRFTQYBBY-RBUKOAKNSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452387993 249316898 /nfs/dbraw/zinc/31/68/98/249316898.db2.gz ISWQYWRFTQYBBY-RBUKOAKNSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452387993 249316901 /nfs/dbraw/zinc/31/69/01/249316901.db2.gz ISWQYWRFTQYBBY-RBUKOAKNSA-N 2 1 361.486 0.850 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931817055 674136012 /nfs/dbraw/zinc/13/60/12/674136012.db2.gz QNOUJKRVPYQVKP-HOTGVXAUSA-N 2 1 370.563 0.729 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931817055 674136013 /nfs/dbraw/zinc/13/60/13/674136013.db2.gz QNOUJKRVPYQVKP-HOTGVXAUSA-N 2 1 370.563 0.729 10 0 FCAEMP C[C@@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000473741828 250248966 /nfs/dbraw/zinc/24/89/66/250248966.db2.gz SEXIKKPGNLJVKB-OAHLLOKOSA-N 2 1 355.527 0.768 10 0 FCAEMP CCC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000474026314 250264987 /nfs/dbraw/zinc/26/49/87/250264987.db2.gz DCHREDOQCNIAPC-UHFFFAOYSA-N 2 1 353.511 0.666 10 0 FCAEMP C[C@@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000473881552 250253880 /nfs/dbraw/zinc/25/38/80/250253880.db2.gz XSSUCGSJMNHGDL-SJORKVTESA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000473881552 250253884 /nfs/dbraw/zinc/25/38/84/250253884.db2.gz XSSUCGSJMNHGDL-SJORKVTESA-N 2 1 367.538 0.912 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000073650936 208050155 /nfs/dbraw/zinc/05/01/55/208050155.db2.gz LIHCBUFWCLXDDH-MQVJKMGUSA-N 2 1 351.495 0.465 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000073650936 208050161 /nfs/dbraw/zinc/05/01/61/208050161.db2.gz LIHCBUFWCLXDDH-MQVJKMGUSA-N 2 1 351.495 0.465 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000106126496 208210320 /nfs/dbraw/zinc/21/03/20/208210320.db2.gz PDXXSJRWHVEDJB-OAHLLOKOSA-N 2 1 374.485 0.996 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000106126496 208210326 /nfs/dbraw/zinc/21/03/26/208210326.db2.gz PDXXSJRWHVEDJB-OAHLLOKOSA-N 2 1 374.485 0.996 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000116792795 208334416 /nfs/dbraw/zinc/33/44/16/208334416.db2.gz IBPKQHKYVMWYJU-RTBURBONSA-N 2 1 360.502 0.764 10 0 FCAEMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180092228 209091370 /nfs/dbraw/zinc/09/13/70/209091370.db2.gz QZMDCDNQDDDGBY-ZDUSSCGKSA-N 2 1 354.476 0.149 10 0 FCAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000178286931 209048341 /nfs/dbraw/zinc/04/83/41/209048341.db2.gz IPAGPERPAOAYRD-QGZVFWFLSA-N 3 1 363.506 0.883 10 0 FCAEMP COCC[NH+]1CCC(C[NH+]2CCN(c3cc(=O)nc(N)[nH]3)CC2)CC1 ZINC000065433510 221219320 /nfs/dbraw/zinc/21/93/20/221219320.db2.gz RSDRKEBQJMLYQV-UHFFFAOYSA-N 2 1 350.467 0.245 10 0 FCAEMP CCOc1ccc([C@H]2[NH2+][C@](CO)(CCO)[C@H]3C[N@H+](C)C[C@H]32)cc1CO ZINC000065488904 221224160 /nfs/dbraw/zinc/22/41/60/221224160.db2.gz XKTJWXOXZCDTTB-JFRXWTBNSA-N 2 1 350.459 0.513 10 0 FCAEMP CCOc1ccc([C@H]2[NH2+][C@](CO)(CCO)[C@H]3C[N@@H+](C)C[C@H]32)cc1CO ZINC000065488904 221224164 /nfs/dbraw/zinc/22/41/64/221224164.db2.gz XKTJWXOXZCDTTB-JFRXWTBNSA-N 2 1 350.459 0.513 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000193270295 229267084 /nfs/dbraw/zinc/26/70/84/229267084.db2.gz IHBQCFAGIPMJKS-QGZVFWFLSA-N 2 1 355.527 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ZVWLOLUGJCZEKC-UHFFFAOYSA-N 2 1 362.474 0.155 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000501679307 490633837 /nfs/dbraw/zinc/63/38/37/490633837.db2.gz ZJAHNJIYPRWGER-UHFFFAOYSA-N 2 1 373.545 0.510 10 0 FCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000525853170 490641965 /nfs/dbraw/zinc/64/19/65/490641965.db2.gz OAVJNQDEXCNTMK-UHFFFAOYSA-N 2 1 363.462 0.535 10 0 FCAEMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC1=O ZINC000556928394 491343716 /nfs/dbraw/zinc/34/37/16/491343716.db2.gz AMHNKCCLXUSKLY-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC000556928394 491343718 /nfs/dbraw/zinc/34/37/18/491343718.db2.gz AMHNKCCLXUSKLY-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC000556928394 491343720 /nfs/dbraw/zinc/34/37/20/491343720.db2.gz AMHNKCCLXUSKLY-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP 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ZINC000557493616 491378491 /nfs/dbraw/zinc/37/84/91/491378491.db2.gz PYRHESPOORCDQL-CVEARBPZSA-N 2 1 354.495 0.014 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000557493616 491378494 /nfs/dbraw/zinc/37/84/94/491378494.db2.gz PYRHESPOORCDQL-CVEARBPZSA-N 2 1 354.495 0.014 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000557493616 491378497 /nfs/dbraw/zinc/37/84/97/491378497.db2.gz PYRHESPOORCDQL-CVEARBPZSA-N 2 1 354.495 0.014 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000565907022 491406845 /nfs/dbraw/zinc/40/68/45/491406845.db2.gz PRSBDARUBKVSQJ-HWOWSKLDSA-N 2 1 350.507 0.824 10 0 FCAEMP C[N@@H+](CC[C@@H]1CCNC1=O)[C@@H]1CCC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000573101397 491413194 /nfs/dbraw/zinc/41/31/94/491413194.db2.gz KNVMVQLGLKOCFU-GVDBMIGSSA-N 2 1 350.507 0.825 10 0 FCAEMP C[NH+](CC[C@@H]1CCNC1=O)[C@@H]1CCC[N@H+](CC[C@H]2CCNC2=O)CC1 ZINC000573101397 491413195 /nfs/dbraw/zinc/41/31/95/491413195.db2.gz KNVMVQLGLKOCFU-GVDBMIGSSA-N 2 1 350.507 0.825 10 0 FCAEMP C[NH+](CC[C@@H]1CCNC1=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCNC2=O)CC1 ZINC000573101397 491413196 /nfs/dbraw/zinc/41/31/96/491413196.db2.gz KNVMVQLGLKOCFU-GVDBMIGSSA-N 2 1 350.507 0.825 10 0 FCAEMP CCN(C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000668372534 493342549 /nfs/dbraw/zinc/34/25/49/493342549.db2.gz KNJOOCBDXJYFCD-ZWKOTPCHSA-N 2 1 358.486 0.930 10 0 FCAEMP CCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000668372534 493342550 /nfs/dbraw/zinc/34/25/50/493342550.db2.gz KNJOOCBDXJYFCD-ZWKOTPCHSA-N 2 1 358.486 0.930 10 0 FCAEMP CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000668372534 493342551 /nfs/dbraw/zinc/34/25/51/493342551.db2.gz KNJOOCBDXJYFCD-ZWKOTPCHSA-N 2 1 358.486 0.930 10 0 FCAEMP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573495588 491436855 /nfs/dbraw/zinc/43/68/55/491436855.db2.gz WROSSDHKOUJGBC-MRXNPFEDSA-N 2 1 360.506 0.883 10 0 FCAEMP 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FCAEMP C[NH+]1CCN(C(=O)CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000649749492 492580295 /nfs/dbraw/zinc/58/02/95/492580295.db2.gz SNZCEZJHKCKLBS-WOJBJXKFSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH+]1CCN(C(=O)CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000649749492 492580298 /nfs/dbraw/zinc/58/02/98/492580298.db2.gz SNZCEZJHKCKLBS-WOJBJXKFSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000629571231 492649703 /nfs/dbraw/zinc/64/97/03/492649703.db2.gz JUFKYRASMHSBGF-UHFFFAOYSA-N 2 1 352.454 0.642 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000629571231 492649705 /nfs/dbraw/zinc/64/97/05/492649705.db2.gz JUFKYRASMHSBGF-UHFFFAOYSA-N 2 1 352.454 0.642 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC000651068196 492703268 /nfs/dbraw/zinc/70/32/68/492703268.db2.gz MVHNJFOHZNQHBO-HNNXBMFYSA-N 2 1 353.511 0.522 10 0 FCAEMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657574527 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VHWYDSISMCXJFV-SJORKVTESA-N 2 1 366.506 0.251 10 0 FCAEMP C[NH+](C)CCCS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000632146194 492940057 /nfs/dbraw/zinc/94/00/57/492940057.db2.gz XJDUPCICZYLCGQ-SJPCQFCGSA-N 2 1 358.552 0.511 10 0 FCAEMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000645622604 492945781 /nfs/dbraw/zinc/94/57/81/492945781.db2.gz LMVCEJWQXJXKSV-HOCLYGCPSA-N 2 1 374.489 0.641 10 0 FCAEMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000645623989 492947037 /nfs/dbraw/zinc/94/70/37/492947037.db2.gz SAKCVVABUGVNRS-ZBFHGGJFSA-N 2 1 360.458 0.858 10 0 FCAEMP CN1CCOC[C@@H]1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638610243 492965439 /nfs/dbraw/zinc/96/54/39/492965439.db2.gz JNZOQBPBWSUGAM-SFHVURJKSA-N 2 1 360.502 0.817 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652676958 492986408 /nfs/dbraw/zinc/98/64/08/492986408.db2.gz LNRWNDZCKLFGKT-GVDBMIGSSA-N 2 1 368.522 0.293 10 0 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0.832 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000646915801 493125412 /nfs/dbraw/zinc/12/54/12/493125412.db2.gz VHUYCLMIOFMHOL-SYMSYNOKSA-N 2 1 372.469 0.832 10 0 FCAEMP [NH3+]C[C@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000659025261 493127549 /nfs/dbraw/zinc/12/75/49/493127549.db2.gz PMKFYYQOQHUAHA-KGLIPLIRSA-N 2 1 360.380 0.942 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633105701 493128046 /nfs/dbraw/zinc/12/80/46/493128046.db2.gz DYTRWUUYNHMBOQ-OAHLLOKOSA-N 2 1 354.495 0.286 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000633113630 493131536 /nfs/dbraw/zinc/13/15/36/493131536.db2.gz PLNQEHWAHRHMDM-HUUCEWRRSA-N 2 1 350.463 0.613 10 0 FCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659071091 493138387 /nfs/dbraw/zinc/13/83/87/493138387.db2.gz FMSQPYCKCYLXQR-KDOFPFPSSA-N 2 1 372.469 0.887 10 0 FCAEMP 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[NH3+][C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC[C@H]1F ZINC000659697468 493259568 /nfs/dbraw/zinc/25/95/68/493259568.db2.gz HTHPPPIJLZBNSK-IAGOWNOFSA-N 2 1 362.449 0.449 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659700549 493260822 /nfs/dbraw/zinc/26/08/22/493260822.db2.gz NNLNOCKRYJZKCM-UVYBKSOCSA-N 2 1 356.470 0.573 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000659709631 493267096 /nfs/dbraw/zinc/26/70/96/493267096.db2.gz GMYLZNYUDXJBJV-MRXNPFEDSA-N 2 1 361.490 0.667 10 0 FCAEMP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659713250 493267670 /nfs/dbraw/zinc/26/76/70/493267670.db2.gz NHZDTGIWXPDUNQ-QGZVFWFLSA-N 2 1 358.486 0.741 10 0 FCAEMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659713206 493268013 /nfs/dbraw/zinc/26/80/13/493268013.db2.gz FIVULLMEWHJWJF-BZUAXINKSA-N 2 1 364.490 0.004 10 0 FCAEMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659716916 493269751 /nfs/dbraw/zinc/26/97/51/493269751.db2.gz YRRQNVJGPDGFGT-ZJIFWQFVSA-N 2 1 364.490 0.132 10 0 FCAEMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(=O)N1CC[NH2+]CC1 ZINC000659740894 493281205 /nfs/dbraw/zinc/28/12/05/493281205.db2.gz QKZQWXXJOXMQGI-SFHVURJKSA-N 2 1 370.497 0.837 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741699 493281796 /nfs/dbraw/zinc/28/17/96/493281796.db2.gz MUDUVVFVRMNNHL-SRWJYRBRSA-N 2 1 370.497 0.978 10 0 FCAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742939 493282022 /nfs/dbraw/zinc/28/20/22/493282022.db2.gz WNXNCKPEIUNRJF-XPQZIERPSA-N 2 1 370.497 0.835 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743233 493282077 /nfs/dbraw/zinc/28/20/77/493282077.db2.gz LNWQREUNOLBAMO-SRWJYRBRSA-N 2 1 370.497 0.978 10 0 FCAEMP 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ZINC000668787039 493410176 /nfs/dbraw/zinc/41/01/76/493410176.db2.gz MPHXJMWRAAYLJD-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@H]1CCN(C)C1 ZINC000668891943 493429621 /nfs/dbraw/zinc/42/96/21/493429621.db2.gz VPAQPROPSZRRBX-GVDBMIGSSA-N 2 1 366.506 0.299 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@@H]2CCO)C1 ZINC000661490147 493442555 /nfs/dbraw/zinc/44/25/55/493442555.db2.gz QLGAJUDKJVQDFX-KURKYZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)C1 ZINC000661490147 493442557 /nfs/dbraw/zinc/44/25/57/493442557.db2.gz QLGAJUDKJVQDFX-KURKYZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)C1 ZINC000661490147 493442558 /nfs/dbraw/zinc/44/25/58/493442558.db2.gz QLGAJUDKJVQDFX-KURKYZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000661605948 493450640 /nfs/dbraw/zinc/45/06/40/493450640.db2.gz SRWXVXRCBVYXFX-ZACQAIPSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000661605948 493450644 /nfs/dbraw/zinc/45/06/44/493450644.db2.gz SRWXVXRCBVYXFX-ZACQAIPSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000661605948 493450647 /nfs/dbraw/zinc/45/06/47/493450647.db2.gz SRWXVXRCBVYXFX-ZACQAIPSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661636513 493454386 /nfs/dbraw/zinc/45/43/86/493454386.db2.gz UICSNBYLNQFAII-PKOBYXMFSA-N 2 1 353.507 0.696 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000669250356 493482457 /nfs/dbraw/zinc/48/24/57/493482457.db2.gz JKIMVYJTXMYHAQ-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000669250356 493482460 /nfs/dbraw/zinc/48/24/60/493482460.db2.gz JKIMVYJTXMYHAQ-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000669250356 493482463 /nfs/dbraw/zinc/48/24/63/493482463.db2.gz JKIMVYJTXMYHAQ-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(CCNC(=O)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1)CCC(F)(F)F ZINC000669332898 493496630 /nfs/dbraw/zinc/49/66/30/493496630.db2.gz DSNPVPVPSURUAB-ZDUSSCGKSA-N 2 1 366.428 0.930 10 0 FCAEMP CCN(C(=O)C(=O)NCC[NH+](CC)CCC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000669332898 493496632 /nfs/dbraw/zinc/49/66/32/493496632.db2.gz DSNPVPVPSURUAB-ZDUSSCGKSA-N 2 1 366.428 0.930 10 0 FCAEMP CCN(C(=O)C(=O)NCC[NH+](CC)CCC(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000669332898 493496633 /nfs/dbraw/zinc/49/66/33/493496633.db2.gz DSNPVPVPSURUAB-ZDUSSCGKSA-N 2 1 366.428 0.930 10 0 FCAEMP CCN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)[C@H]1CC[NH+](C)C1 ZINC000669332898 493496635 /nfs/dbraw/zinc/49/66/35/493496635.db2.gz DSNPVPVPSURUAB-ZDUSSCGKSA-N 2 1 366.428 0.930 10 0 FCAEMP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662261983 493500495 /nfs/dbraw/zinc/50/04/95/493500495.db2.gz CQCIRBZRRGCTDL-CABCVRRESA-N 2 1 365.478 0.806 10 0 FCAEMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662704907 493533208 /nfs/dbraw/zinc/53/32/08/493533208.db2.gz JMLGNTZIKAPFER-BZUAXINKSA-N 2 1 364.490 0.004 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662963837 493561929 /nfs/dbraw/zinc/56/19/29/493561929.db2.gz YQNYCCRWPSGUTD-IRXDYDNUSA-N 2 1 350.507 0.777 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670533290 493577172 /nfs/dbraw/zinc/57/71/72/493577172.db2.gz BRBNBHZPIOKNFW-MSOLQXFVSA-N 2 1 374.485 0.214 10 0 FCAEMP CN1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000670533290 493577174 /nfs/dbraw/zinc/57/71/74/493577174.db2.gz BRBNBHZPIOKNFW-MSOLQXFVSA-N 2 1 374.485 0.214 10 0 FCAEMP CN1CC[NH+](C(C)(C)CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663558804 493597938 /nfs/dbraw/zinc/59/79/38/493597938.db2.gz XRCSSSPTMYAYDP-QGZVFWFLSA-N 2 1 369.554 0.765 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578986 493609253 /nfs/dbraw/zinc/60/92/53/493609253.db2.gz OAEGXQVTKMFJBP-JYJNAYRXSA-N 2 1 371.526 0.097 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578986 493609255 /nfs/dbraw/zinc/60/92/55/493609255.db2.gz OAEGXQVTKMFJBP-JYJNAYRXSA-N 2 1 371.526 0.097 10 0 FCAEMP CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000664051033 493632329 /nfs/dbraw/zinc/63/23/29/493632329.db2.gz ICECDGVHLNJQAW-MRXNPFEDSA-N 2 1 353.511 0.665 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664065207 493634150 /nfs/dbraw/zinc/63/41/50/493634150.db2.gz IQYGOJCJXHBXBW-IRXDYDNUSA-N 2 1 356.511 0.849 10 0 FCAEMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000664142801 493639473 /nfs/dbraw/zinc/63/94/73/493639473.db2.gz LDAKNNNRSKSVDI-QGZVFWFLSA-N 2 1 369.554 0.813 10 0 FCAEMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000664142801 493639475 /nfs/dbraw/zinc/63/94/75/493639475.db2.gz LDAKNNNRSKSVDI-QGZVFWFLSA-N 2 1 369.554 0.813 10 0 FCAEMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000664142801 493639477 /nfs/dbraw/zinc/63/94/77/493639477.db2.gz LDAKNNNRSKSVDI-QGZVFWFLSA-N 2 1 369.554 0.813 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671147176 493643846 /nfs/dbraw/zinc/64/38/46/493643846.db2.gz OYHGUWDSGQCMIW-ZWKOTPCHSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000671147176 493643848 /nfs/dbraw/zinc/64/38/48/493643848.db2.gz OYHGUWDSGQCMIW-ZWKOTPCHSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671147176 493643850 /nfs/dbraw/zinc/64/38/50/493643850.db2.gz 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2 1 374.894 0.177 10 0 FCAEMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1C[NH3+] ZINC000923507845 667842224 /nfs/dbraw/zinc/84/22/24/667842224.db2.gz KVTFJXKGMIRLJQ-KBPBESRZSA-N 2 1 368.503 0.792 10 0 FCAEMP CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000923516337 667842775 /nfs/dbraw/zinc/84/27/75/667842775.db2.gz ZKYRHJPWYHVMMD-ZNMIVQPWSA-N 2 1 359.536 0.529 10 0 FCAEMP COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]([C@H]2CCCO2)C1 ZINC000923555768 667848299 /nfs/dbraw/zinc/84/82/99/667848299.db2.gz VNVIMOJLFLOYDS-OWCLPIDISA-N 2 1 353.463 0.241 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838476013 667937616 /nfs/dbraw/zinc/93/76/16/667937616.db2.gz LEUDBRMZFRLHGH-WBVHZDCISA-N 2 1 354.495 0.338 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838476013 667937617 /nfs/dbraw/zinc/93/76/17/667937617.db2.gz LEUDBRMZFRLHGH-WBVHZDCISA-N 2 1 354.495 0.338 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000779654868 668434405 /nfs/dbraw/zinc/43/44/05/668434405.db2.gz RRNHWFHMKLPKIB-CYBMUJFWSA-N 2 1 374.463 0.638 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000779654868 668434407 /nfs/dbraw/zinc/43/44/07/668434407.db2.gz RRNHWFHMKLPKIB-CYBMUJFWSA-N 2 1 374.463 0.638 10 0 FCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000787765014 668809109 /nfs/dbraw/zinc/80/91/09/668809109.db2.gz QOIWKIJXLDJXFD-OWCLPIDISA-N 2 1 357.495 0.913 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000820080877 669056118 /nfs/dbraw/zinc/05/61/18/669056118.db2.gz NZYPXAYTIQGWJR-ZNMIVQPWSA-N 2 1 355.483 0.398 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000820080877 669056121 /nfs/dbraw/zinc/05/61/21/669056121.db2.gz NZYPXAYTIQGWJR-ZNMIVQPWSA-N 2 1 355.483 0.398 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000849532807 671351800 /nfs/dbraw/zinc/35/18/00/671351800.db2.gz OMNCDQRGGXRZHY-HZPDHXFCSA-N 2 1 351.520 0.620 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000849532807 671351803 /nfs/dbraw/zinc/35/18/03/671351803.db2.gz OMNCDQRGGXRZHY-HZPDHXFCSA-N 2 1 351.520 0.620 10 0 FCAEMP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000852212005 671495706 /nfs/dbraw/zinc/49/57/06/671495706.db2.gz ZBTMIELYBPKDSZ-CQSZACIVSA-N 2 1 351.384 0.277 10 0 FCAEMP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000852212005 671495710 /nfs/dbraw/zinc/49/57/10/671495710.db2.gz ZBTMIELYBPKDSZ-CQSZACIVSA-N 2 1 351.384 0.277 10 0 FCAEMP COC(=O)N1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000853480741 671548309 /nfs/dbraw/zinc/54/83/09/671548309.db2.gz IHIATXWMNNLHEK-AWEZNQCLSA-N 2 1 357.499 0.788 10 0 FCAEMP COC(=O)N1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000853480741 671548311 /nfs/dbraw/zinc/54/83/11/671548311.db2.gz IHIATXWMNNLHEK-AWEZNQCLSA-N 2 1 357.499 0.788 10 0 FCAEMP CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000854001640 671563338 /nfs/dbraw/zinc/56/33/38/671563338.db2.gz OYUPNEISGSZCNT-GJZGRUSLSA-N 2 1 357.499 0.788 10 0 FCAEMP CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000854001640 671563339 /nfs/dbraw/zinc/56/33/39/671563339.db2.gz OYUPNEISGSZCNT-GJZGRUSLSA-N 2 1 357.499 0.788 10 0 FCAEMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903732189 675965100 /nfs/dbraw/zinc/96/51/00/675965100.db2.gz QIWRAPQPGRDVQK-STQMWFEESA-N 2 1 364.412 0.667 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000903746716 675966864 /nfs/dbraw/zinc/96/68/64/675966864.db2.gz FNHNIVNZWJBIRF-LPWJVIDDSA-N 2 1 364.412 0.523 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903766773 675970637 /nfs/dbraw/zinc/97/06/37/675970637.db2.gz HHHVDEIXRFCEKD-QJPTWQEYSA-N 2 1 350.385 0.277 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000903787223 675973246 /nfs/dbraw/zinc/97/32/46/675973246.db2.gz KNGNCKYHKSMLJG-WRWGMCAJSA-N 2 1 350.385 0.276 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000903787223 675973248 /nfs/dbraw/zinc/97/32/48/675973248.db2.gz KNGNCKYHKSMLJG-WRWGMCAJSA-N 2 1 350.385 0.276 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1C ZINC000903787222 675973356 /nfs/dbraw/zinc/97/33/56/675973356.db2.gz KNGNCKYHKSMLJG-WHOHXGKFSA-N 2 1 350.385 0.276 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000903787222 675973357 /nfs/dbraw/zinc/97/33/57/675973357.db2.gz KNGNCKYHKSMLJG-WHOHXGKFSA-N 2 1 350.385 0.276 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903762472 675969766 /nfs/dbraw/zinc/96/97/66/675969766.db2.gz CMGUPXJSCVMXJO-XQQFMLRXSA-N 2 1 364.412 0.666 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cnc(N3CCOCC3)s1)C2 ZINC000903978218 675985476 /nfs/dbraw/zinc/98/54/76/675985476.db2.gz AMUNDBOBWOKFPD-AHIWAGSCSA-N 2 1 366.487 0.692 10 0 FCAEMP COC(=O)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000903897936 675981241 /nfs/dbraw/zinc/98/12/41/675981241.db2.gz KRNMVCGOKIKKCW-HNNXBMFYSA-N 2 1 351.451 0.747 10 0 FCAEMP FC(F)(F)[C@@H](CNCc1cnnn1[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000903918546 675982438 /nfs/dbraw/zinc/98/24/38/675982438.db2.gz BDPMGOLQZOCFKL-GXTWGEPZSA-N 2 1 361.416 0.128 10 0 FCAEMP C[NH+](C)Cc1cnc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000863643723 672144502 /nfs/dbraw/zinc/14/45/02/672144502.db2.gz UHDQMCCQOXAJPA-CABCVRRESA-N 2 1 365.503 0.962 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)nn1 ZINC000866688517 672288104 /nfs/dbraw/zinc/28/81/04/672288104.db2.gz RRBOERQXUOQSGY-HNNXBMFYSA-N 2 1 355.508 0.822 10 0 FCAEMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707907 672290217 /nfs/dbraw/zinc/29/02/17/672290217.db2.gz JZDXGTSSYQZJSL-XZDPQHSOSA-N 2 1 350.463 0.691 10 0 FCAEMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707907 672290220 /nfs/dbraw/zinc/29/02/20/672290220.db2.gz JZDXGTSSYQZJSL-XZDPQHSOSA-N 2 1 350.463 0.691 10 0 FCAEMP C[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000866800012 672307843 /nfs/dbraw/zinc/30/78/43/672307843.db2.gz KWSJUECJIWDXKT-MELADBBJSA-N 2 1 358.483 0.277 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)[C@H](C)C1 ZINC000867516508 672329585 /nfs/dbraw/zinc/32/95/85/672329585.db2.gz GILDXFHUKHPVEG-WCXIOVBPSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[C@H](C)C1 ZINC000867516508 672329587 /nfs/dbraw/zinc/32/95/87/672329587.db2.gz GILDXFHUKHPVEG-WCXIOVBPSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[C@H](C)C1 ZINC000867516508 672329589 /nfs/dbraw/zinc/32/95/89/672329589.db2.gz GILDXFHUKHPVEG-WCXIOVBPSA-N 2 1 350.507 0.728 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867808758 672370024 /nfs/dbraw/zinc/37/00/24/672370024.db2.gz OOUOJXYIKXXYMM-CVEARBPZSA-N 2 1 369.535 0.776 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868358233 672395571 /nfs/dbraw/zinc/39/55/71/672395571.db2.gz FAUYYWAULQSBSV-SQNIBIBYSA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868358233 672395573 /nfs/dbraw/zinc/39/55/73/672395573.db2.gz FAUYYWAULQSBSV-SQNIBIBYSA-N 2 1 351.539 0.996 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868358233 672395575 /nfs/dbraw/zinc/39/55/75/672395575.db2.gz FAUYYWAULQSBSV-SQNIBIBYSA-N 2 1 351.539 0.996 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000868403890 672398840 /nfs/dbraw/zinc/39/88/40/672398840.db2.gz AUEZGVDPVFGURU-UHFFFAOYSA-N 2 1 354.495 0.156 10 0 FCAEMP COC(=O)CCN1CC[C@@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1=O ZINC000871784734 672571085 /nfs/dbraw/zinc/57/10/85/672571085.db2.gz JLBRUMDXPXNZBH-WTUNAVPPSA-N 2 1 352.435 0.522 10 0 FCAEMP COC(=O)CCN1CC[C@@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000871784734 672571090 /nfs/dbraw/zinc/57/10/90/672571090.db2.gz JLBRUMDXPXNZBH-WTUNAVPPSA-N 2 1 352.435 0.522 10 0 FCAEMP COc1cccc([C@H]2[C@H](NS(=O)(=O)C3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000923634904 672593883 /nfs/dbraw/zinc/59/38/83/672593883.db2.gz KFMIVDZADJHGGE-SJORKVTESA-N 2 1 351.472 0.864 10 0 FCAEMP COc1cccc([C@H]2[C@H](NS(=O)(=O)C3C[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000923634904 672593890 /nfs/dbraw/zinc/59/38/90/672593890.db2.gz KFMIVDZADJHGGE-SJORKVTESA-N 2 1 351.472 0.864 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872187621 672597090 /nfs/dbraw/zinc/59/70/90/672597090.db2.gz XPCFKSXIFVENOE-NWDGAFQWSA-N 2 1 350.385 0.136 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872187619 672597117 /nfs/dbraw/zinc/59/71/17/672597117.db2.gz XPCFKSXIFVENOE-NEPJUHHUSA-N 2 1 350.385 0.136 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000872189361 672598356 /nfs/dbraw/zinc/59/83/56/672598356.db2.gz GFIYFFBCUZFOLP-WCFLWFBJSA-N 2 1 362.396 0.277 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000872190782 672599510 /nfs/dbraw/zinc/59/95/10/672599510.db2.gz VXZWTUVVTPBGEV-FDYHWXHSSA-N 2 1 364.412 0.523 10 0 FCAEMP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000872191642 672599898 /nfs/dbraw/zinc/59/98/98/672599898.db2.gz LOXFRUWLHKIIOE-MRXNPFEDSA-N 2 1 354.495 0.145 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCC1(C)C ZINC000872196002 672603664 /nfs/dbraw/zinc/60/36/64/672603664.db2.gz OBTNOWMJTRZTBY-NWDGAFQWSA-N 2 1 364.412 0.525 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925165574 673780533 /nfs/dbraw/zinc/78/05/33/673780533.db2.gz TXAPGHIYBLYWBM-OAGGEKHMSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925165574 673780535 /nfs/dbraw/zinc/78/05/35/673780535.db2.gz TXAPGHIYBLYWBM-OAGGEKHMSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925165574 673780537 /nfs/dbraw/zinc/78/05/37/673780537.db2.gz TXAPGHIYBLYWBM-OAGGEKHMSA-N 2 1 356.536 0.712 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925179090 673782526 /nfs/dbraw/zinc/78/25/26/673782526.db2.gz RSPIGQNHPXVNCY-HOTGVXAUSA-N 2 1 357.568 0.749 10 0 FCAEMP 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ZINC000849557194 1245400257 /nfs/dbraw/zinc/40/02/57/1245400257.db2.gz GNEHOICTHQVTSS-KZNAEPCWSA-N 2 1 365.522 0.928 10 0 FCAEMP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)cn1 ZINC000849567257 1245402171 /nfs/dbraw/zinc/40/21/71/1245402171.db2.gz HASWGXIBHTTWAN-SJORKVTESA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)cn1 ZINC000849567257 1245402175 /nfs/dbraw/zinc/40/21/75/1245402175.db2.gz HASWGXIBHTTWAN-SJORKVTESA-N 2 1 363.506 0.371 10 0 FCAEMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578248 1245403358 /nfs/dbraw/zinc/40/33/58/1245403358.db2.gz LCGZBGXJMNKAAP-MSOLQXFVSA-N 2 1 365.522 0.664 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578248 1245403363 /nfs/dbraw/zinc/40/33/63/1245403363.db2.gz LCGZBGXJMNKAAP-MSOLQXFVSA-N 2 1 365.522 0.664 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578248 1245403366 /nfs/dbraw/zinc/40/33/66/1245403366.db2.gz LCGZBGXJMNKAAP-MSOLQXFVSA-N 2 1 365.522 0.664 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000903491985 1245477499 /nfs/dbraw/zinc/47/74/99/1245477499.db2.gz HQMJHRJCMFJBIO-PNPHSEOMSA-N 2 1 367.396 0.793 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC000923199375 1245700663 /nfs/dbraw/zinc/70/06/63/1245700663.db2.gz QOPJTIOXQJEZRJ-HNNXBMFYSA-N 2 1 369.510 0.933 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC000923199375 1245700669 /nfs/dbraw/zinc/70/06/69/1245700669.db2.gz QOPJTIOXQJEZRJ-HNNXBMFYSA-N 2 1 369.510 0.933 10 0 FCAEMP CCO[C@@H](CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C[NH+](C)C ZINC000923321550 1245708887 /nfs/dbraw/zinc/70/88/87/1245708887.db2.gz DVARWVBDYUZUDB-GVDBMIGSSA-N 2 1 368.522 0.896 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC1(c2ccccc2)CCOCC1 ZINC000923461900 1245720844 /nfs/dbraw/zinc/72/08/44/1245720844.db2.gz YJCBPJLMTWOOCL-UHFFFAOYSA-N 2 1 360.502 0.346 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1c1ccc(F)cc1 ZINC001328971261 1265667066 /nfs/dbraw/zinc/66/70/66/1265667066.db2.gz FLAYAEYBVQQGSW-JKSUJKDBSA-N 2 1 366.437 0.169 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1c1ccc(F)cc1 ZINC001328971261 1265667073 /nfs/dbraw/zinc/66/70/73/1265667073.db2.gz FLAYAEYBVQQGSW-JKSUJKDBSA-N 2 1 366.437 0.169 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059582 1265683437 /nfs/dbraw/zinc/68/34/37/1265683437.db2.gz GTSDCLRQUXGMCZ-ISWURRPUSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059582 1265683444 /nfs/dbraw/zinc/68/34/44/1265683444.db2.gz GTSDCLRQUXGMCZ-ISWURRPUSA-N 2 1 362.449 0.944 10 0 FCAEMP C[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC001329551602 1265780208 /nfs/dbraw/zinc/78/02/08/1265780208.db2.gz JIMUHDCWKGKDMZ-ZWKOTPCHSA-N 2 1 373.501 0.584 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)COCC[NH+](C)C ZINC001519936226 1265807262 /nfs/dbraw/zinc/80/72/62/1265807262.db2.gz WMPLZOLGRZHGHH-JKSUJKDBSA-N 2 1 365.478 0.265 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC001520423472 1265915945 /nfs/dbraw/zinc/91/59/45/1265915945.db2.gz NZZJOBSNPMSULA-ICSRJNTNSA-N 2 1 360.502 0.500 10 0 FCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330024504 1265927994 /nfs/dbraw/zinc/92/79/94/1265927994.db2.gz QZSFWBYSFYQTIJ-NVXWUHKLSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)C1 ZINC001520804812 1266005096 /nfs/dbraw/zinc/00/50/96/1266005096.db2.gz UAMYMQWIANNNKY-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)C1 ZINC001520804812 1266005103 /nfs/dbraw/zinc/00/51/03/1266005103.db2.gz UAMYMQWIANNNKY-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H]2C)C1 ZINC001520804812 1266005115 /nfs/dbraw/zinc/00/51/15/1266005115.db2.gz UAMYMQWIANNNKY-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC001335713264 1259799996 /nfs/dbraw/zinc/79/99/96/1259799996.db2.gz VKHYYUSVUSKOAO-QGZVFWFLSA-N 2 1 366.506 0.204 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC2(C1)CCCC2 ZINC001331999934 1266313108 /nfs/dbraw/zinc/31/31/08/1266313108.db2.gz HGFOLGOWCDRMBO-CALCHBBNSA-N 2 1 360.502 0.816 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC2(C1)CCCC2 ZINC001331999934 1266313119 /nfs/dbraw/zinc/31/31/19/1266313119.db2.gz HGFOLGOWCDRMBO-CALCHBBNSA-N 2 1 360.502 0.816 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001264491271 1260374831 /nfs/dbraw/zinc/37/48/31/1260374831.db2.gz VBZQPUAXHOLZBA-LSDHHAIUSA-N 2 1 361.446 0.215 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N1CCC1 ZINC001265827575 1260419249 /nfs/dbraw/zinc/41/92/49/1260419249.db2.gz RVTBSNWGTILACB-NXHRZFHOSA-N 2 1 358.486 0.658 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cc(OC)no3)C2)CC[N@@H+]1C ZINC001278782237 1260730713 /nfs/dbraw/zinc/73/07/13/1260730713.db2.gz UEUGRZHZZKPJQC-DAYGRLMNSA-N 2 1 366.462 0.467 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3cc(OC)no3)C2)CC[N@H+]1C ZINC001278782237 1260730721 /nfs/dbraw/zinc/73/07/21/1260730721.db2.gz UEUGRZHZZKPJQC-DAYGRLMNSA-N 2 1 366.462 0.467 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3cc(OC)no3)C2)CC[NH+]1C ZINC001278782237 1260730724 /nfs/dbraw/zinc/73/07/24/1260730724.db2.gz UEUGRZHZZKPJQC-DAYGRLMNSA-N 2 1 366.462 0.467 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cc(OC)no3)C2)CC[NH+]1C ZINC001278782237 1260730731 /nfs/dbraw/zinc/73/07/31/1260730731.db2.gz UEUGRZHZZKPJQC-DAYGRLMNSA-N 2 1 366.462 0.467 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001278854322 1260743307 /nfs/dbraw/zinc/74/33/07/1260743307.db2.gz AODXMPLBFYXTSM-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001278854322 1260743311 /nfs/dbraw/zinc/74/33/11/1260743311.db2.gz AODXMPLBFYXTSM-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001278854322 1260743314 /nfs/dbraw/zinc/74/33/14/1260743314.db2.gz AODXMPLBFYXTSM-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001278854322 1260743320 /nfs/dbraw/zinc/74/33/20/1260743320.db2.gz AODXMPLBFYXTSM-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001278854322 1260743327 /nfs/dbraw/zinc/74/33/27/1260743327.db2.gz AODXMPLBFYXTSM-OWCLPIDISA-N 2 1 370.538 0.383 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CCCC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001280698181 1261071151 /nfs/dbraw/zinc/07/11/51/1261071151.db2.gz PWEMSSXOILKMAF-ZKXLYKBJSA-N 2 1 364.534 0.879 10 0 FCAEMP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1O ZINC001281698016 1261159107 /nfs/dbraw/zinc/15/91/07/1261159107.db2.gz CHLUDCKRNQGGAH-HZPDHXFCSA-N 2 1 370.538 0.384 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001281862982 1261241358 /nfs/dbraw/zinc/24/13/58/1261241358.db2.gz UXBRSTQWVPDVCX-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282178147 1261369351 /nfs/dbraw/zinc/36/93/51/1261369351.db2.gz CLYRTEYOPNNGGK-IXDOHACOSA-N 2 1 368.522 0.401 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282178147 1261369355 /nfs/dbraw/zinc/36/93/55/1261369355.db2.gz CLYRTEYOPNNGGK-IXDOHACOSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)COCC[NH+](C)C ZINC001282256495 1261391879 /nfs/dbraw/zinc/39/18/79/1261391879.db2.gz GLSYJXUOSYKIFE-JKSUJKDBSA-N 2 1 365.478 0.265 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282276265 1261400412 /nfs/dbraw/zinc/40/04/12/1261400412.db2.gz IKSGKRKVBLWTPR-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(OCCC[NH2+][C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001282582262 1261540134 /nfs/dbraw/zinc/54/01/34/1261540134.db2.gz TXQFXGCSVGSMOI-HYVNUMGLSA-N 2 1 368.522 0.578 10 0 FCAEMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001282651785 1261569297 /nfs/dbraw/zinc/56/92/97/1261569297.db2.gz HNTYMRWPWOVAGF-QZWWFDLISA-N 2 1 366.506 0.297 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)CC[N@H+]1C ZINC001282676085 1261580353 /nfs/dbraw/zinc/58/03/53/1261580353.db2.gz BIZIXFTYPYVRQO-MTSZKFMLSA-N 2 1 362.518 0.917 10 0 FCAEMP 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CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001316663349 1263405738 /nfs/dbraw/zinc/40/57/38/1263405738.db2.gz GTTNFMNPIMHYPQ-GOEBONIOSA-N 2 1 370.457 0.892 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001316666330 1263409008 /nfs/dbraw/zinc/40/90/08/1263409008.db2.gz DABKBVRAQJDQCA-ZNMIVQPWSA-N 2 1 367.494 0.191 10 0 FCAEMP COCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001316671301 1263415035 /nfs/dbraw/zinc/41/50/35/1263415035.db2.gz YPOSKPHTYMLQIK-FGTMMUONSA-N 2 1 363.506 0.825 10 0 FCAEMP Cc1nonc1CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479919441 1263416424 /nfs/dbraw/zinc/41/64/24/1263416424.db2.gz HURIKVUNPBLERA-HZPDHXFCSA-N 2 1 364.494 0.342 10 0 FCAEMP Cc1nonc1CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479919441 1263416429 /nfs/dbraw/zinc/41/64/29/1263416429.db2.gz HURIKVUNPBLERA-HZPDHXFCSA-N 2 1 364.494 0.342 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001480461717 1263429460 /nfs/dbraw/zinc/42/94/60/1263429460.db2.gz BFWPYEVLXAESEL-XJKCOSOUSA-N 2 1 350.507 0.726 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001480464146 1263429707 /nfs/dbraw/zinc/42/97/07/1263429707.db2.gz OLKBWXFXYMWWQU-RWMBFGLXSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N[C@H](C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001480391787 1263429906 /nfs/dbraw/zinc/42/99/06/1263429906.db2.gz PPAHKDQCBRKQAB-RFDWOIRHSA-N 2 1 362.518 0.678 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N[C@H](C)C4CC4)C[C@H]32)CC[N@H+]1C ZINC001480391787 1263429910 /nfs/dbraw/zinc/42/99/10/1263429910.db2.gz PPAHKDQCBRKQAB-RFDWOIRHSA-N 2 1 362.518 0.678 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N[C@H](C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001480391787 1263429915 /nfs/dbraw/zinc/42/99/15/1263429915.db2.gz PPAHKDQCBRKQAB-RFDWOIRHSA-N 2 1 362.518 0.678 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N[C@H](C)C4CC4)C[C@H]32)CC[NH+]1C ZINC001480391787 1263429917 /nfs/dbraw/zinc/42/99/17/1263429917.db2.gz PPAHKDQCBRKQAB-RFDWOIRHSA-N 2 1 362.518 0.678 10 0 FCAEMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1ncnn1C ZINC001480539817 1263432935 /nfs/dbraw/zinc/43/29/35/1263432935.db2.gz DULZQQSQBVZYFK-UAGQMJEPSA-N 2 1 356.474 0.755 10 0 FCAEMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1ncnn1C ZINC001480539817 1263432940 /nfs/dbraw/zinc/43/29/40/1263432940.db2.gz DULZQQSQBVZYFK-UAGQMJEPSA-N 2 1 356.474 0.755 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCOCC2)CC[N@H+]1C ZINC001484181684 1263458020 /nfs/dbraw/zinc/45/80/20/1263458020.db2.gz HQFCXJACVZYVBS-JKSUJKDBSA-N 2 1 366.506 0.204 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCn3cccn3)C2)CC[N@H+]1C ZINC001484436458 1263472081 /nfs/dbraw/zinc/47/20/81/1263472081.db2.gz FPTCIAUZOCDXIZ-YQVWRLOYSA-N 2 1 363.506 0.557 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001484436458 1263472085 /nfs/dbraw/zinc/47/20/85/1263472085.db2.gz FPTCIAUZOCDXIZ-YQVWRLOYSA-N 2 1 363.506 0.557 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCn3cccn3)C2)CC[NH+]1C ZINC001484436458 1263472090 /nfs/dbraw/zinc/47/20/90/1263472090.db2.gz FPTCIAUZOCDXIZ-YQVWRLOYSA-N 2 1 363.506 0.557 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]Cc3cnns3)CC2)CC[N@H+]1C ZINC001484954819 1263493766 /nfs/dbraw/zinc/49/37/66/1263493766.db2.gz MOUXQTDDNSQDLY-LSDHHAIUSA-N 2 1 367.519 0.712 10 0 FCAEMP Cc1ccc(CN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001317240533 1263504747 /nfs/dbraw/zinc/50/47/47/1263504747.db2.gz GTFFDPSYIMRZDJ-FRFSOERESA-N 2 1 364.490 0.981 10 0 FCAEMP CC(C)N1CC[C@H]([N@@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001485772317 1263515524 /nfs/dbraw/zinc/51/55/24/1263515524.db2.gz JBDMCFRJUFQQNW-ZACQAIPSSA-N 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C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCOCC(F)(F)F)CC[N@H+]1C ZINC001486338256 1263532570 /nfs/dbraw/zinc/53/25/70/1263532570.db2.gz WASXVRZRDVZNPO-HZSPNIEDSA-N 2 1 369.428 0.657 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCOCC(F)(F)F)CC[NH+]1C ZINC001486338256 1263532572 /nfs/dbraw/zinc/53/25/72/1263532572.db2.gz WASXVRZRDVZNPO-HZSPNIEDSA-N 2 1 369.428 0.657 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCOCC(F)(F)F)CC[NH+]1C ZINC001486338256 1263532577 /nfs/dbraw/zinc/53/25/77/1263532577.db2.gz WASXVRZRDVZNPO-HZSPNIEDSA-N 2 1 369.428 0.657 10 0 FCAEMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001318576554 1263588887 /nfs/dbraw/zinc/58/88/87/1263588887.db2.gz MOGFMKQXHFUAGI-KURKYZTESA-N 2 1 360.502 0.904 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2nnnn2C)CC[N@@H+]1C ZINC001492154554 1263641118 /nfs/dbraw/zinc/64/11/18/1263641118.db2.gz OWCYBPLLYFHMSE-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2nnnn2C)CC[N@H+]1C ZINC001492154554 1263641122 /nfs/dbraw/zinc/64/11/22/1263641122.db2.gz OWCYBPLLYFHMSE-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2nnnn2C)CC[NH+]1C ZINC001492154554 1263641125 /nfs/dbraw/zinc/64/11/25/1263641125.db2.gz OWCYBPLLYFHMSE-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[N@H+]2Cc2nnnn2C)CC[NH+]1C ZINC001492154554 1263641131 /nfs/dbraw/zinc/64/11/31/1263641131.db2.gz OWCYBPLLYFHMSE-HRCADAONSA-N 2 1 363.510 0.801 10 0 FCAEMP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001493107768 1263698099 /nfs/dbraw/zinc/69/80/99/1263698099.db2.gz ZLFNLACNUHXHJZ-SOUVJXGZSA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001493107768 1263698112 /nfs/dbraw/zinc/69/81/12/1263698112.db2.gz ZLFNLACNUHXHJZ-SOUVJXGZSA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001493107768 1263698124 /nfs/dbraw/zinc/69/81/24/1263698124.db2.gz ZLFNLACNUHXHJZ-SOUVJXGZSA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001493107768 1263698130 /nfs/dbraw/zinc/69/81/30/1263698130.db2.gz ZLFNLACNUHXHJZ-SOUVJXGZSA-N 2 1 367.494 0.143 10 0 FCAEMP CC(C)=CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493123874 1263700388 /nfs/dbraw/zinc/70/03/88/1263700388.db2.gz SMAATSWDQAIBFT-IAGOWNOFSA-N 2 1 350.507 0.943 10 0 FCAEMP CC(C)=CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001493123874 1263700401 /nfs/dbraw/zinc/70/04/01/1263700401.db2.gz SMAATSWDQAIBFT-IAGOWNOFSA-N 2 1 350.507 0.943 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001493132584 1263702177 /nfs/dbraw/zinc/70/21/77/1263702177.db2.gz ZMUWMEITEIPQFK-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP 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CCS(=O)(=O)CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001493207215 1263713675 /nfs/dbraw/zinc/71/36/75/1263713675.db2.gz OQWBRPGZVZMQIR-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)CC[N@H+]1C ZINC001493582844 1263728389 /nfs/dbraw/zinc/72/83/89/1263728389.db2.gz WJGXPBQZVKLPCI-KBRIMQKVSA-N 2 1 350.507 0.679 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001494983282 1263794108 /nfs/dbraw/zinc/79/41/08/1263794108.db2.gz KPILHKDEHSLVSF-GRYCIOLGSA-N 2 1 352.401 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001495669448 1263831362 /nfs/dbraw/zinc/83/13/62/1263831362.db2.gz QTEWDVPPICKGGG-QLFBSQMISA-N 2 1 364.494 0.381 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)C(=O)NC(N)=O)CCCC2)CC[N@H+]1C ZINC001495915473 1263844127 /nfs/dbraw/zinc/84/41/27/1263844127.db2.gz UEYYVZWBDQBCLC-HZSPNIEDSA-N 2 1 367.494 0.319 10 0 FCAEMP 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CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001343110272 1269778386 /nfs/dbraw/zinc/77/83/86/1269778386.db2.gz WEVWWSXFNOMTAJ-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001343110272 1269778395 /nfs/dbraw/zinc/77/83/95/1269778395.db2.gz WEVWWSXFNOMTAJ-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@@H+]1C ZINC001569748619 1269799268 /nfs/dbraw/zinc/79/92/68/1269799268.db2.gz FQFQFAAGFJJIHY-SPYBWZPUSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(=O)NCC(C)(C)C)C2)CC[N@H+]1C ZINC001569748619 1269799278 /nfs/dbraw/zinc/79/92/78/1269799278.db2.gz FQFQFAAGFJJIHY-SPYBWZPUSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001569748619 1269799287 /nfs/dbraw/zinc/79/92/87/1269799287.db2.gz FQFQFAAGFJJIHY-SPYBWZPUSA-N 2 1 368.522 0.042 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC(C)(C)C)C2)CC[NH+]1C ZINC001569748619 1269799295 /nfs/dbraw/zinc/79/92/95/1269799295.db2.gz FQFQFAAGFJJIHY-SPYBWZPUSA-N 2 1 368.522 0.042 10 0 FCAEMP CC(C)COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001569894411 1269817094 /nfs/dbraw/zinc/81/70/94/1269817094.db2.gz QDEGXFMYSXGDMN-LMMKCTJWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001569894411 1269817097 /nfs/dbraw/zinc/81/70/97/1269817097.db2.gz QDEGXFMYSXGDMN-LMMKCTJWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)COCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001569894411 1269817103 /nfs/dbraw/zinc/81/71/03/1269817103.db2.gz QDEGXFMYSXGDMN-LMMKCTJWSA-N 2 1 355.523 0.942 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1C ZINC001569933856 1269822220 /nfs/dbraw/zinc/82/22/20/1269822220.db2.gz JERKHSXFXSUXGX-BZUAXINKSA-N 2 1 368.522 0.137 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001570083648 1269837903 /nfs/dbraw/zinc/83/79/03/1269837903.db2.gz GDUKBMYWWMOWQG-IXDOHACOSA-N 2 1 365.522 0.713 10 0 FCAEMP CCN(CC)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001570301053 1269868124 /nfs/dbraw/zinc/86/81/24/1269868124.db2.gz IJDWUSXOYTYDMR-HZPDHXFCSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001571118425 1269926050 /nfs/dbraw/zinc/92/60/50/1269926050.db2.gz SXVKHRNHTHFMTH-KCYZZUKISA-N 2 1 362.474 0.720 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1C ZINC001571580043 1269938772 /nfs/dbraw/zinc/93/87/72/1269938772.db2.gz HPLKDNLPAMYLLR-ZTFGCOKTSA-N 2 1 363.506 0.469 10 0 FCAEMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC001343627693 1269966563 /nfs/dbraw/zinc/96/65/63/1269966563.db2.gz FCBVMDUBOFXXQI-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001343627693 1269966567 /nfs/dbraw/zinc/96/65/67/1269966567.db2.gz FCBVMDUBOFXXQI-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001343627693 1269966575 /nfs/dbraw/zinc/96/65/75/1269966575.db2.gz FCBVMDUBOFXXQI-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)CC[NH+](C)C)CCC[C@@H]23)CC[N@H+]1C ZINC001572425115 1270057974 /nfs/dbraw/zinc/05/79/74/1270057974.db2.gz UPLUUEWHZKPLPP-NNFUDEMPSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001572587246 1270099023 /nfs/dbraw/zinc/09/90/23/1270099023.db2.gz NTPICEUPUXJYMA-NVXWUHKLSA-N 2 1 350.507 0.943 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)CC[N@H+]1C ZINC001572660746 1270102568 /nfs/dbraw/zinc/10/25/68/1270102568.db2.gz OTMSTRWTCJKBIZ-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001572892846 1270306045 /nfs/dbraw/zinc/30/60/45/1270306045.db2.gz NYNPMWPDGDZHOP-IXDOHACOSA-N 2 1 368.522 0.258 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001572970846 1270428502 /nfs/dbraw/zinc/42/85/02/1270428502.db2.gz QNNRHQJBMRAELW-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001572970846 1270428505 /nfs/dbraw/zinc/42/85/05/1270428505.db2.gz QNNRHQJBMRAELW-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001572970846 1270428508 /nfs/dbraw/zinc/42/85/08/1270428508.db2.gz QNNRHQJBMRAELW-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001573059976 1270580995 /nfs/dbraw/zinc/58/09/95/1270580995.db2.gz DBOWXPZDWQOANX-IAGOWNOFSA-N 2 1 366.506 0.110 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)C1 ZINC001573088163 1270605036 /nfs/dbraw/zinc/60/50/36/1270605036.db2.gz BFUPDPDCOHVILC-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)C1 ZINC001573088163 1270605040 /nfs/dbraw/zinc/60/50/40/1270605040.db2.gz BFUPDPDCOHVILC-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H]1CC ZINC001573281581 1270737270 /nfs/dbraw/zinc/73/72/70/1270737270.db2.gz VRDFIIGTUJJNKU-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H]1CC ZINC001573281581 1270737280 /nfs/dbraw/zinc/73/72/80/1270737280.db2.gz VRDFIIGTUJJNKU-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H]1CC ZINC001573281581 1270737287 /nfs/dbraw/zinc/73/72/87/1270737287.db2.gz VRDFIIGTUJJNKU-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H]1CC ZINC001573281581 1270737293 /nfs/dbraw/zinc/73/72/93/1270737293.db2.gz VRDFIIGTUJJNKU-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC(F)(F)F ZINC001713408498 1287276812 /nfs/dbraw/zinc/27/68/12/1287276812.db2.gz RBXPMMQQEGQDND-IJLUTSLNSA-N 2 1 352.401 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001713593557 1287287207 /nfs/dbraw/zinc/28/72/07/1287287207.db2.gz PHIFJMXELOQIDK-NWDGAFQWSA-N 2 1 352.401 0.443 10 0 FCAEMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001713636139 1287291536 /nfs/dbraw/zinc/29/15/36/1287291536.db2.gz MPQDSCJOYFIEAR-FGTMMUONSA-N 2 1 358.486 0.658 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714346126 1287319838 /nfs/dbraw/zinc/31/98/38/1287319838.db2.gz AKVPTQCWBQWNGQ-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001714708429 1287332270 /nfs/dbraw/zinc/33/22/70/1287332270.db2.gz YADQSSPGMPKVOO-UONOGXRCSA-N 2 1 350.467 0.087 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001714708429 1287332272 /nfs/dbraw/zinc/33/22/72/1287332272.db2.gz YADQSSPGMPKVOO-UONOGXRCSA-N 2 1 350.467 0.087 10 0 FCAEMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1ccco1 ZINC001715053955 1287342288 /nfs/dbraw/zinc/34/22/88/1287342288.db2.gz BZQOPBDALXESKL-IJEWVQPXSA-N 2 1 350.463 0.720 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1cc(C)no1 ZINC001715058437 1287342629 /nfs/dbraw/zinc/34/26/29/1287342629.db2.gz OLVPOFYQEFPYQP-MGPQQGTHSA-N 2 1 351.451 0.746 10 0 FCAEMP C[C@H](C[NH2+]CC(=O)N(C)Cc1ccco1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715928972 1287365605 /nfs/dbraw/zinc/36/56/05/1287365605.db2.gz BFYDFBOXLYGXIB-IIAWOOMASA-N 2 1 350.463 0.673 10 0 FCAEMP COc1c(F)cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC001716087752 1287370218 /nfs/dbraw/zinc/37/02/18/1287370218.db2.gz MJSBDQKQRXYEIE-KWCYVHTRSA-N 2 1 371.428 0.880 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@H+]1C ZINC001716295424 1287375131 /nfs/dbraw/zinc/37/51/31/1287375131.db2.gz PIHGUSGSXDZRTR-ICWYTKJFSA-N 2 1 363.462 0.914 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)Nc2cc(C)nn2C)CC[N@H+]1C ZINC001716395058 1287377967 /nfs/dbraw/zinc/37/79/67/1287377967.db2.gz CHZCNQNTBLEAEO-QLFBSQMISA-N 2 1 364.494 0.492 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)C2CC2)CC[N@H+]1C ZINC001716611950 1287383830 /nfs/dbraw/zinc/38/38/30/1287383830.db2.gz VPQCWJUPEQFZMI-RTXFEEFZSA-N 2 1 364.412 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC3CCC3)CC2)CC[N@H+]1C ZINC001716682468 1287386021 /nfs/dbraw/zinc/38/60/21/1287386021.db2.gz PFCAMCZFEXRILS-JKSUJKDBSA-N 2 1 350.507 0.871 10 0 FCAEMP 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C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CCn1cnnc1 ZINC001648213595 1291111193 /nfs/dbraw/zinc/11/11/93/1291111193.db2.gz BUJIEYWMCIGEIW-WMZOPIPTSA-N 2 1 356.474 0.989 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCn1cnnc1 ZINC001648213595 1291111202 /nfs/dbraw/zinc/11/12/02/1291111202.db2.gz BUJIEYWMCIGEIW-WMZOPIPTSA-N 2 1 356.474 0.989 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCn1cnnc1 ZINC001648213595 1291111211 /nfs/dbraw/zinc/11/12/11/1291111211.db2.gz BUJIEYWMCIGEIW-WMZOPIPTSA-N 2 1 356.474 0.989 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCn1cnnc1 ZINC001648213595 1291111213 /nfs/dbraw/zinc/11/12/13/1291111213.db2.gz BUJIEYWMCIGEIW-WMZOPIPTSA-N 2 1 356.474 0.989 10 0 FCAEMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401482 1291518814 /nfs/dbraw/zinc/51/88/14/1291518814.db2.gz BTENORHSSHCYQM-RCCFBDPRSA-N 2 1 363.506 0.681 10 0 FCAEMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401482 1291518816 /nfs/dbraw/zinc/51/88/16/1291518816.db2.gz BTENORHSSHCYQM-RCCFBDPRSA-N 2 1 363.506 0.681 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001656478003 1291530104 /nfs/dbraw/zinc/53/01/04/1291530104.db2.gz KMBGAGRJHSIUOP-IXDOHACOSA-N 2 1 368.522 0.306 10 0 FCAEMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001656553274 1291545813 /nfs/dbraw/zinc/54/58/13/1291545813.db2.gz IOSSFOPIXVUDRW-CAOSSQGBSA-N 2 1 357.495 0.723 10 0 FCAEMP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001656553274 1291545820 /nfs/dbraw/zinc/54/58/20/1291545820.db2.gz IOSSFOPIXVUDRW-CAOSSQGBSA-N 2 1 357.495 0.723 10 0 FCAEMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001656553274 1291545828 /nfs/dbraw/zinc/54/58/28/1291545828.db2.gz IOSSFOPIXVUDRW-CAOSSQGBSA-N 2 1 357.495 0.723 10 0 FCAEMP CCCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001656801318 1291561878 /nfs/dbraw/zinc/56/18/78/1291561878.db2.gz YJRVTDOZTCOJER-FGTMMUONSA-N 2 1 353.507 0.914 10 0 FCAEMP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001656801318 1291561887 /nfs/dbraw/zinc/56/18/87/1291561887.db2.gz YJRVTDOZTCOJER-FGTMMUONSA-N 2 1 353.507 0.914 10 0 FCAEMP CCCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001656801318 1291561893 /nfs/dbraw/zinc/56/18/93/1291561893.db2.gz YJRVTDOZTCOJER-FGTMMUONSA-N 2 1 353.507 0.914 10 0 FCAEMP CCCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001656801318 1291561901 /nfs/dbraw/zinc/56/19/01/1291561901.db2.gz YJRVTDOZTCOJER-FGTMMUONSA-N 2 1 353.507 0.914 10 0 FCAEMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001656809848 1291564123 /nfs/dbraw/zinc/56/41/23/1291564123.db2.gz BPHPPRQZJDBZSE-CEXWTWQISA-N 2 1 365.518 0.772 10 0 FCAEMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001656840100 1291566410 /nfs/dbraw/zinc/56/64/10/1291566410.db2.gz SCXHAIYPYWPONC-SJORKVTESA-N 2 1 362.518 0.729 10 0 FCAEMP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668065232 1291954426 /nfs/dbraw/zinc/95/44/26/1291954426.db2.gz HOBCCXIKBZRBMI-KCPJHIHWSA-N 2 1 364.494 0.790 10 0 FCAEMP CNC(=O)NC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001675123971 1292167326 /nfs/dbraw/zinc/16/73/26/1292167326.db2.gz DRUMRAALROHBRD-RBSFLKMASA-N 2 1 369.510 0.245 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1C ZINC001676535187 1292207250 /nfs/dbraw/zinc/20/72/50/1292207250.db2.gz IAAHPNKAGBXSLH-RYQLBKOJSA-N 2 1 363.506 0.516 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1C ZINC001676535187 1292207257 /nfs/dbraw/zinc/20/72/57/1292207257.db2.gz IAAHPNKAGBXSLH-RYQLBKOJSA-N 2 1 363.506 0.516 10 0 FCAEMP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001685553787 1292556362 /nfs/dbraw/zinc/55/63/62/1292556362.db2.gz PNDJHVOFWKJLCE-QFBILLFUSA-N 2 1 361.490 0.840 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC001685553787 1292556370 /nfs/dbraw/zinc/55/63/70/1292556370.db2.gz PNDJHVOFWKJLCE-QFBILLFUSA-N 2 1 361.490 0.840 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001686064037 1292753571 /nfs/dbraw/zinc/75/35/71/1292753571.db2.gz BLOLGWDQWWUUGO-IKGGRYGDSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001686728725 1292951044 /nfs/dbraw/zinc/95/10/44/1292951044.db2.gz HKAFMAHJBNFBJN-IRXDYDNUSA-N 2 1 368.522 0.992 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001686728725 1292951052 /nfs/dbraw/zinc/95/10/52/1292951052.db2.gz HKAFMAHJBNFBJN-IRXDYDNUSA-N 2 1 368.522 0.992 10 0 FCAEMP CCN(CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001687721803 1293005724 /nfs/dbraw/zinc/00/57/24/1293005724.db2.gz NRGHOBCKHPTYNQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001687721803 1293005736 /nfs/dbraw/zinc/00/57/36/1293005736.db2.gz NRGHOBCKHPTYNQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001687721803 1293005744 /nfs/dbraw/zinc/00/57/44/1293005744.db2.gz NRGHOBCKHPTYNQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001687721803 1293005754 /nfs/dbraw/zinc/00/57/54/1293005754.db2.gz NRGHOBCKHPTYNQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001687721804 1293005893 /nfs/dbraw/zinc/00/58/93/1293005893.db2.gz NRGHOBCKHPTYNQ-ZACQAIPSSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001687721804 1293005901 /nfs/dbraw/zinc/00/59/01/1293005901.db2.gz NRGHOBCKHPTYNQ-ZACQAIPSSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001687721804 1293005910 /nfs/dbraw/zinc/00/59/10/1293005910.db2.gz NRGHOBCKHPTYNQ-ZACQAIPSSA-N 2 1 368.522 0.402 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001687721804 1293005916 /nfs/dbraw/zinc/00/59/16/1293005916.db2.gz NRGHOBCKHPTYNQ-ZACQAIPSSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000369547232 836045253 /nfs/dbraw/zinc/04/52/53/836045253.db2.gz RSPDPYUFPFZDAP-RVKKMQEKSA-N 2 1 353.463 0.051 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000369547232 836045268 /nfs/dbraw/zinc/04/52/68/836045268.db2.gz RSPDPYUFPFZDAP-RVKKMQEKSA-N 2 1 353.463 0.051 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001277060935 861748137 /nfs/dbraw/zinc/74/81/37/861748137.db2.gz VLAIDFLCTLJNCL-SOUVJXGZSA-N 2 1 357.520 0.390 10 0 FCAEMP C[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123693451 848624975 /nfs/dbraw/zinc/62/49/75/848624975.db2.gz AICRLZUJUGTYJC-IECFSIQFSA-N 2 1 351.539 0.992 10 0 FCAEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnc2n1CCOC2 ZINC001277827570 862120056 /nfs/dbraw/zinc/12/00/56/862120056.db2.gz XRPBYDHKHSSVNB-MGPQQGTHSA-N 2 1 350.467 0.085 10 0 FCAEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnc2n1CCOC2 ZINC001277827570 862120063 /nfs/dbraw/zinc/12/00/63/862120063.db2.gz XRPBYDHKHSSVNB-MGPQQGTHSA-N 2 1 350.467 0.085 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)CC1 ZINC001190944877 851990360 /nfs/dbraw/zinc/99/03/60/851990360.db2.gz ULEIWWOZCUJMJC-UHFFFAOYSA-N 2 1 369.428 0.849 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)CC1 ZINC001190944877 851990369 /nfs/dbraw/zinc/99/03/69/851990369.db2.gz ULEIWWOZCUJMJC-UHFFFAOYSA-N 2 1 369.428 0.849 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cncc(F)c2)CC[N@@H+]1C ZINC001278854524 862536830 /nfs/dbraw/zinc/53/68/30/862536830.db2.gz CQAIAFJFWPWSMO-KBRIMQKVSA-N 2 1 352.454 0.812 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cncc(F)c2)CC[N@H+]1C ZINC001278854524 862536842 /nfs/dbraw/zinc/53/68/42/862536842.db2.gz CQAIAFJFWPWSMO-KBRIMQKVSA-N 2 1 352.454 0.812 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cncc(F)c2)CC[NH+]1C ZINC001278854524 862536852 /nfs/dbraw/zinc/53/68/52/862536852.db2.gz CQAIAFJFWPWSMO-KBRIMQKVSA-N 2 1 352.454 0.812 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cncc(F)c2)CC[NH+]1C ZINC001278854524 862536857 /nfs/dbraw/zinc/53/68/57/862536857.db2.gz CQAIAFJFWPWSMO-KBRIMQKVSA-N 2 1 352.454 0.812 10 0 FCAEMP 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C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCCc1ccsc1 ZINC001264159396 859333814 /nfs/dbraw/zinc/33/38/14/859333814.db2.gz ZOOKTBYOGFXDAS-ZBFHGGJFSA-N 2 1 366.531 0.938 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCCc1ccsc1 ZINC001264159396 859333820 /nfs/dbraw/zinc/33/38/20/859333820.db2.gz ZOOKTBYOGFXDAS-ZBFHGGJFSA-N 2 1 366.531 0.938 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001264461739 859357477 /nfs/dbraw/zinc/35/74/77/859357477.db2.gz DIGDSWWHDXHYAG-YALNPMBYSA-N 2 1 350.507 0.727 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001264466394 859360113 /nfs/dbraw/zinc/36/01/13/859360113.db2.gz YDUXGKGYUGPXIO-GUTXKFCHSA-N 2 1 350.463 0.150 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001264532058 859375096 /nfs/dbraw/zinc/37/50/96/859375096.db2.gz BZCWPHSHNVKHBV-UKRRQHHQSA-N 2 1 367.519 0.833 10 0 FCAEMP 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10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001274038193 860664702 /nfs/dbraw/zinc/66/47/02/860664702.db2.gz VWPLWFCYFDGZIB-FSPKCKTGSA-N 2 1 357.520 0.413 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001274038198 860664725 /nfs/dbraw/zinc/66/47/25/860664725.db2.gz VWPLWFCYFDGZIB-ZESBSSJPSA-N 2 1 357.520 0.413 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001281607229 863535285 /nfs/dbraw/zinc/53/52/85/863535285.db2.gz YEEXEJJGLZMAPB-ARFHVFGLSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001281607229 863535295 /nfs/dbraw/zinc/53/52/95/863535295.db2.gz YEEXEJJGLZMAPB-ARFHVFGLSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001281607229 863535299 /nfs/dbraw/zinc/53/52/99/863535299.db2.gz YEEXEJJGLZMAPB-ARFHVFGLSA-N 2 1 350.507 0.870 10 0 FCAEMP 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CCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001316739306 867437920 /nfs/dbraw/zinc/43/79/20/867437920.db2.gz QSGFNEHEZMNFKA-JKSUJKDBSA-N 2 1 350.507 0.968 10 0 FCAEMP CCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001316739306 867437925 /nfs/dbraw/zinc/43/79/25/867437925.db2.gz QSGFNEHEZMNFKA-JKSUJKDBSA-N 2 1 350.507 0.968 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)[NH+](CC)CC ZINC001316756208 867455370 /nfs/dbraw/zinc/45/53/70/867455370.db2.gz CDEXPVZGYRTTHB-IXDOHACOSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2CC2)CC[N@H+]1C ZINC001317014709 867515714 /nfs/dbraw/zinc/51/57/14/867515714.db2.gz VFVRGIRFCNJDBA-RAIGVLPGSA-N 2 1 364.412 0.490 10 0 FCAEMP CC(C)CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317132891 867521985 /nfs/dbraw/zinc/52/19/85/867521985.db2.gz ULMFZJPDORUDDU-IXDOHACOSA-N 2 1 352.523 0.927 10 0 FCAEMP CC(C)CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317132891 867521990 /nfs/dbraw/zinc/52/19/90/867521990.db2.gz ULMFZJPDORUDDU-IXDOHACOSA-N 2 1 352.523 0.927 10 0 FCAEMP CC(C)CNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317132891 867522006 /nfs/dbraw/zinc/52/20/06/867522006.db2.gz ULMFZJPDORUDDU-IXDOHACOSA-N 2 1 352.523 0.927 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001318802058 867754076 /nfs/dbraw/zinc/75/40/76/867754076.db2.gz ANLOBHUTSVOOCR-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP CCOc1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001320231290 868115756 /nfs/dbraw/zinc/11/57/56/868115756.db2.gz LLJYOGPFYUQQBJ-VNQPRFMTSA-N 2 1 350.463 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(OC)n2)CC[N@H+]1C ZINC001320233943 868117101 /nfs/dbraw/zinc/11/71/01/868117101.db2.gz SSKNLAWNLDALFJ-HRCADAONSA-N 2 1 350.463 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001321066655 868357403 /nfs/dbraw/zinc/35/74/03/868357403.db2.gz NBLGXXQKLDMJNL-IPUTUCIWSA-N 2 1 357.520 0.413 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1F ZINC001322724312 868920820 /nfs/dbraw/zinc/92/08/20/868920820.db2.gz KINFCMNLSDDCOT-IJEWVQPXSA-N 2 1 354.470 0.478 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1F ZINC001322724312 868920834 /nfs/dbraw/zinc/92/08/34/868920834.db2.gz KINFCMNLSDDCOT-IJEWVQPXSA-N 2 1 354.470 0.478 10 0 FCAEMP CC(C)CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001326271830 870235567 /nfs/dbraw/zinc/23/55/67/870235567.db2.gz DVOCJYBFSINNPY-IXDOHACOSA-N 2 1 352.523 0.927 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001327413553 870852657 /nfs/dbraw/zinc/85/26/57/870852657.db2.gz UVKPXLUEOVATNT-UHFFFAOYSA-N 2 1 354.495 0.156 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCOCC(F)F)CCOCC2)CC[N@H+]1C ZINC001327635092 870985014 /nfs/dbraw/zinc/98/50/14/870985014.db2.gz RBQVCOJAQOISFA-ZIAGYGMSSA-N 2 1 363.449 0.863 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001345881412 871546410 /nfs/dbraw/zinc/54/64/10/871546410.db2.gz FWWCTVMRXWSFTG-MDZRGWNJSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001346242930 871724309 /nfs/dbraw/zinc/72/43/09/871724309.db2.gz OCIUGGFBJWCZFA-OWCLPIDISA-N 2 1 350.507 0.491 10 0 FCAEMP Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001329753406 872230509 /nfs/dbraw/zinc/23/05/09/872230509.db2.gz FHEMAONOEZLZHK-SFHVURJKSA-N 2 1 367.515 0.821 10 0 FCAEMP Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001329753406 872230524 /nfs/dbraw/zinc/23/05/24/872230524.db2.gz FHEMAONOEZLZHK-SFHVURJKSA-N 2 1 367.515 0.821 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC001329945291 872380951 /nfs/dbraw/zinc/38/09/51/872380951.db2.gz FTMWVIZBIZHOHB-MRXNPFEDSA-N 2 1 350.507 0.777 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC[N@H+]1C ZINC001329945291 872380963 /nfs/dbraw/zinc/38/09/63/872380963.db2.gz FTMWVIZBIZHOHB-MRXNPFEDSA-N 2 1 350.507 0.777 10 0 FCAEMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001330086564 872454953 /nfs/dbraw/zinc/45/49/53/872454953.db2.gz XOUBMUALSOLQAM-QXSJWSMHSA-N 2 1 350.463 0.644 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001347704977 872466505 /nfs/dbraw/zinc/46/65/05/872466505.db2.gz MWDSERKPBHJNHI-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001347704977 872466512 /nfs/dbraw/zinc/46/65/12/872466512.db2.gz MWDSERKPBHJNHI-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001347704072 872467500 /nfs/dbraw/zinc/46/75/00/872467500.db2.gz HBBAOXYCDGZZBM-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001348591076 872735391 /nfs/dbraw/zinc/73/53/91/872735391.db2.gz KXJNMHOFIQJZIK-XLMAVXFVSA-N 2 1 354.495 0.384 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2cnn(C)c2)CC[N@H+]1C ZINC001332634543 873591279 /nfs/dbraw/zinc/59/12/79/873591279.db2.gz YHYKNIQDDIZEIQ-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2cnn(C)c2)CC[NH+]1C ZINC001332634543 873591289 /nfs/dbraw/zinc/59/12/89/873591289.db2.gz YHYKNIQDDIZEIQ-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2cnn(C)c2)CC[NH+]1C ZINC001332634543 873591300 /nfs/dbraw/zinc/59/13/00/873591300.db2.gz YHYKNIQDDIZEIQ-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)CCc2ccns2)CC[N@H+]1C ZINC001332634589 873591904 /nfs/dbraw/zinc/59/19/04/873591904.db2.gz ZMBUUMHCDQMOPF-IJEWVQPXSA-N 2 1 354.520 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCc2ccns2)CC[NH+]1C ZINC001332634589 873591908 /nfs/dbraw/zinc/59/19/08/873591908.db2.gz ZMBUUMHCDQMOPF-IJEWVQPXSA-N 2 1 354.520 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCc2ccns2)CC[NH+]1C ZINC001332634589 873591913 /nfs/dbraw/zinc/59/19/13/873591913.db2.gz ZMBUUMHCDQMOPF-IJEWVQPXSA-N 2 1 354.520 0.777 10 0 FCAEMP CCCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001333343985 873916395 /nfs/dbraw/zinc/91/63/95/873916395.db2.gz SLFHIAXXWCTBPU-DLBZAZTESA-N 2 1 350.507 0.991 10 0 FCAEMP CCCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001333343985 873916407 /nfs/dbraw/zinc/91/64/07/873916407.db2.gz SLFHIAXXWCTBPU-DLBZAZTESA-N 2 1 350.507 0.991 10 0 FCAEMP CCCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001333343985 873916425 /nfs/dbraw/zinc/91/64/25/873916425.db2.gz SLFHIAXXWCTBPU-DLBZAZTESA-N 2 1 350.507 0.991 10 0 FCAEMP CCCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001333343985 873916445 /nfs/dbraw/zinc/91/64/45/873916445.db2.gz SLFHIAXXWCTBPU-DLBZAZTESA-N 2 1 350.507 0.991 10 0 FCAEMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000930490180 674031695 /nfs/dbraw/zinc/03/16/95/674031695.db2.gz BVCPKJSYLVQLDR-OJLVUWQFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000930490180 674031702 /nfs/dbraw/zinc/03/17/02/674031702.db2.gz BVCPKJSYLVQLDR-OJLVUWQFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930490180 674031705 /nfs/dbraw/zinc/03/17/05/674031705.db2.gz BVCPKJSYLVQLDR-OJLVUWQFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930490180 674031707 /nfs/dbraw/zinc/03/17/07/674031707.db2.gz BVCPKJSYLVQLDR-OJLVUWQFSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930814333 674063408 /nfs/dbraw/zinc/06/34/08/674063408.db2.gz RDTRYEKIOZCUPK-PNKHAZJDSA-N 2 1 351.491 0.713 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930814333 674063409 /nfs/dbraw/zinc/06/34/09/674063409.db2.gz RDTRYEKIOZCUPK-PNKHAZJDSA-N 2 1 351.491 0.713 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930814333 674063410 /nfs/dbraw/zinc/06/34/10/674063410.db2.gz RDTRYEKIOZCUPK-PNKHAZJDSA-N 2 1 351.491 0.713 10 0 FCAEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333118372 215238382 /nfs/dbraw/zinc/23/83/82/215238382.db2.gz AERSRUXIVMQMRK-SJORKVTESA-N 2 1 365.522 0.713 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333118372 215238385 /nfs/dbraw/zinc/23/83/85/215238385.db2.gz AERSRUXIVMQMRK-SJORKVTESA-N 2 1 365.522 0.713 10 0 FCAEMP C[NH+]1CCC(CNC(=O)N2CC[NH+](C3CC3)CC2)(N2CCOCC2)CC1 ZINC000334126821 215347924 /nfs/dbraw/zinc/34/79/24/215347924.db2.gz QAGAYRDVGYMLCZ-UHFFFAOYSA-N 2 1 365.522 0.273 10 0 FCAEMP CS(=O)(=O)N1CCC[C@H](CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000360778662 215371391 /nfs/dbraw/zinc/37/13/91/215371391.db2.gz XXNVPEUOQOFVSF-ZBFHGGJFSA-N 2 1 372.535 0.072 10 0 FCAEMP CS(=O)(=O)N1CCC[C@H](CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000360778662 215371393 /nfs/dbraw/zinc/37/13/93/215371393.db2.gz XXNVPEUOQOFVSF-ZBFHGGJFSA-N 2 1 372.535 0.072 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000930947900 674078827 /nfs/dbraw/zinc/07/88/27/674078827.db2.gz FLPJRIDALZGVSS-LXTVHRRPSA-N 2 1 354.520 0.139 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000930947900 674078832 /nfs/dbraw/zinc/07/88/32/674078832.db2.gz FLPJRIDALZGVSS-LXTVHRRPSA-N 2 1 354.520 0.139 10 0 FCAEMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000931018779 674087450 /nfs/dbraw/zinc/08/74/50/674087450.db2.gz PSYOZGZBCMCLRU-RRFJBIMHSA-N 2 1 354.520 0.283 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000931018779 674087451 /nfs/dbraw/zinc/08/74/51/674087451.db2.gz PSYOZGZBCMCLRU-RRFJBIMHSA-N 2 1 354.520 0.283 10 0 FCAEMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000931018779 674087452 /nfs/dbraw/zinc/08/74/52/674087452.db2.gz PSYOZGZBCMCLRU-RRFJBIMHSA-N 2 1 354.520 0.283 10 0 FCAEMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000931018779 674087453 /nfs/dbraw/zinc/08/74/53/674087453.db2.gz PSYOZGZBCMCLRU-RRFJBIMHSA-N 2 1 354.520 0.283 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000284334279 213113588 /nfs/dbraw/zinc/11/35/88/213113588.db2.gz QQURUCNNOBCWCZ-SFHVURJKSA-N 2 1 371.485 0.987 10 0 FCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000367224174 216093839 /nfs/dbraw/zinc/09/38/39/216093839.db2.gz MKULDLMJLIABDE-QGZVFWFLSA-N 2 1 360.568 0.758 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246459633 209388165 /nfs/dbraw/zinc/38/81/65/209388165.db2.gz DJIBHXWBVNILKE-SZVBFZGTSA-N 2 1 363.506 0.904 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000245668776 209370835 /nfs/dbraw/zinc/37/08/35/209370835.db2.gz ROIKVPGZWLIZPX-MJGOQNOKSA-N 2 1 373.501 0.941 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000245668776 209370840 /nfs/dbraw/zinc/37/08/40/209370840.db2.gz ROIKVPGZWLIZPX-MJGOQNOKSA-N 2 1 373.501 0.941 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369202996 216362823 /nfs/dbraw/zinc/36/28/23/216362823.db2.gz FOPSQXXCHKFKMB-ZACQAIPSSA-N 2 1 354.495 0.338 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000931396980 674111888 /nfs/dbraw/zinc/11/18/88/674111888.db2.gz LLNXQZGAGREWRN-NVXWUHKLSA-N 2 1 374.551 0.333 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000414931978 245333435 /nfs/dbraw/zinc/33/34/35/245333435.db2.gz SBPOLYDMOYXGIZ-MRXNPFEDSA-N 2 1 362.474 0.650 10 0 FCAEMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000373556642 217032489 /nfs/dbraw/zinc/03/24/89/217032489.db2.gz WYXLYYLWLIHFSC-UHFFFAOYSA-N 2 1 350.507 0.875 10 0 FCAEMP CCS(=O)(=O)NCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182583648 209132940 /nfs/dbraw/zinc/13/29/40/209132940.db2.gz RFGWBXYZPBHYGN-SJPCQFCGSA-N 2 1 358.552 0.559 10 0 FCAEMP CCS(=O)(=O)NCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182583648 209132943 /nfs/dbraw/zinc/13/29/43/209132943.db2.gz RFGWBXYZPBHYGN-SJPCQFCGSA-N 2 1 358.552 0.559 10 0 FCAEMP CCS(=O)(=O)NCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182583648 209132947 /nfs/dbraw/zinc/13/29/47/209132947.db2.gz RFGWBXYZPBHYGN-SJPCQFCGSA-N 2 1 358.552 0.559 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C2)CCCOC3)C1 ZINC000375293194 217245343 /nfs/dbraw/zinc/24/53/43/217245343.db2.gz QURPAVLONXVPPD-MJGOQNOKSA-N 2 1 353.507 0.962 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC000375293194 217245347 /nfs/dbraw/zinc/24/53/47/217245347.db2.gz QURPAVLONXVPPD-MJGOQNOKSA-N 2 1 353.507 0.962 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC000375293194 217245350 /nfs/dbraw/zinc/24/53/50/217245350.db2.gz QURPAVLONXVPPD-MJGOQNOKSA-N 2 1 353.507 0.962 10 0 FCAEMP C[N@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1(C)C ZINC000419179677 246037662 /nfs/dbraw/zinc/03/76/62/246037662.db2.gz IYHZWMVAONYOJY-UHFFFAOYSA-N 2 1 367.538 0.297 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419225337 246065925 /nfs/dbraw/zinc/06/59/25/246065925.db2.gz CNNRDWVKDYGNAL-NFAWXSAZSA-N 2 1 364.515 0.725 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419225337 246065929 /nfs/dbraw/zinc/06/59/29/246065929.db2.gz CNNRDWVKDYGNAL-NFAWXSAZSA-N 2 1 364.515 0.725 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419204383 246051422 /nfs/dbraw/zinc/05/14/22/246051422.db2.gz HVHKRRDNNTXMMQ-KBAYOESNSA-N 2 1 358.486 0.881 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000419229968 246069262 /nfs/dbraw/zinc/06/92/62/246069262.db2.gz XZPHUNSPPUQWBO-ZWKOTPCHSA-N 2 1 374.460 0.847 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@H+]1C1CC1 ZINC000419317203 246098658 /nfs/dbraw/zinc/09/86/58/246098658.db2.gz MNDWJKRACFYWTL-ZMSRAETNSA-N 2 1 374.529 0.998 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000419415613 246148986 /nfs/dbraw/zinc/14/89/86/246148986.db2.gz VLOVCIHCLKZEAG-DZGCQCFKSA-N 2 1 352.504 0.973 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000419499941 246183333 /nfs/dbraw/zinc/18/33/33/246183333.db2.gz YWMORDISKLDIIH-HOTGVXAUSA-N 2 1 355.527 0.109 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419509809 246185006 /nfs/dbraw/zinc/18/50/06/246185006.db2.gz UVLMSRTYYRMXDB-ZWKOTPCHSA-N 2 1 358.486 0.883 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419523132 246190522 /nfs/dbraw/zinc/19/05/22/246190522.db2.gz AEBBSPKZGUIKCH-FGTMMUONSA-N 2 1 374.485 0.167 10 0 FCAEMP C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419558622 246202602 /nfs/dbraw/zinc/20/26/02/246202602.db2.gz NAIPYXYXPKKJDM-VNHYZAJKSA-N 2 1 352.504 0.958 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000419705203 246261112 /nfs/dbraw/zinc/26/11/12/246261112.db2.gz IPWHBYPTLSCERD-CRAIPNDOSA-N 2 1 358.486 0.976 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419719312 246267261 /nfs/dbraw/zinc/26/72/61/246267261.db2.gz CEWKFYBRWDXJAA-MSOLQXFVSA-N 2 1 371.485 0.688 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419719312 246267266 /nfs/dbraw/zinc/26/72/66/246267266.db2.gz CEWKFYBRWDXJAA-MSOLQXFVSA-N 2 1 371.485 0.688 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757141 246285808 /nfs/dbraw/zinc/28/58/08/246285808.db2.gz HZKJYOSZCIQYJN-CJNGLKHVSA-N 2 1 350.438 0.488 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419757145 246286920 /nfs/dbraw/zinc/28/69/20/246286920.db2.gz HZKJYOSZCIQYJN-XJKSGUPXSA-N 2 1 350.438 0.488 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419758269 246287058 /nfs/dbraw/zinc/28/70/58/246287058.db2.gz JVEVZOIFVGJATE-CJNGLKHVSA-N 2 1 350.438 0.488 10 0 FCAEMP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419769133 246292232 /nfs/dbraw/zinc/29/22/32/246292232.db2.gz DBLHOWSUXASYMQ-SFHVURJKSA-N 2 1 371.485 0.545 10 0 FCAEMP CN(C(=O)C(=O)NCCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419841209 246313950 /nfs/dbraw/zinc/31/39/50/246313950.db2.gz FNOAUZSGJIICGG-GOSISDBHSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423681018 247106160 /nfs/dbraw/zinc/10/61/60/247106160.db2.gz SIBQWPJABQERBA-KRWDZBQOSA-N 2 1 359.474 0.355 10 0 FCAEMP O=C(C(=O)N1CCC2(CC[NH2+]2)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423717301 247122679 /nfs/dbraw/zinc/12/26/79/247122679.db2.gz ALZWJBQNGSGJER-UHFFFAOYSA-N 2 1 370.497 0.728 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452395 247343064 /nfs/dbraw/zinc/34/30/64/247343064.db2.gz NRLAZEJGDSDUIG-MRXNPFEDSA-N 2 1 356.511 0.849 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@@H]1CC[N@H+](C)C1 ZINC000931819847 674137852 /nfs/dbraw/zinc/13/78/52/674137852.db2.gz NBXGXJAVKCMADQ-KFWWJZLASA-N 2 1 354.520 0.235 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@@H]1CC[N@@H+](C)C1 ZINC000931819847 674137854 /nfs/dbraw/zinc/13/78/54/674137854.db2.gz NBXGXJAVKCMADQ-KFWWJZLASA-N 2 1 354.520 0.235 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1CC[NH+](C)C1 ZINC000931819847 674137856 /nfs/dbraw/zinc/13/78/56/674137856.db2.gz NBXGXJAVKCMADQ-KFWWJZLASA-N 2 1 354.520 0.235 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@@H]1CC[NH+](C)C1 ZINC000931819847 674137857 /nfs/dbraw/zinc/13/78/57/674137857.db2.gz NBXGXJAVKCMADQ-KFWWJZLASA-N 2 1 354.520 0.235 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000931820559 674138776 /nfs/dbraw/zinc/13/87/76/674138776.db2.gz SGSWKBZCRZRGFK-QLFBSQMISA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000931820559 674138777 /nfs/dbraw/zinc/13/87/77/674138777.db2.gz SGSWKBZCRZRGFK-QLFBSQMISA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931820559 674138778 /nfs/dbraw/zinc/13/87/78/674138778.db2.gz SGSWKBZCRZRGFK-QLFBSQMISA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931820559 674138779 /nfs/dbraw/zinc/13/87/79/674138779.db2.gz SGSWKBZCRZRGFK-QLFBSQMISA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000931820558 674138842 /nfs/dbraw/zinc/13/88/42/674138842.db2.gz SGSWKBZCRZRGFK-KFWWJZLASA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000931820558 674138844 /nfs/dbraw/zinc/13/88/44/674138844.db2.gz SGSWKBZCRZRGFK-KFWWJZLASA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931820558 674138845 /nfs/dbraw/zinc/13/88/45/674138845.db2.gz SGSWKBZCRZRGFK-KFWWJZLASA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931820558 674138847 /nfs/dbraw/zinc/13/88/47/674138847.db2.gz SGSWKBZCRZRGFK-KFWWJZLASA-N 2 1 368.547 0.671 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000481745484 250352247 /nfs/dbraw/zinc/35/22/47/250352247.db2.gz SGZKZYUFEAEAPH-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000481745484 250352249 /nfs/dbraw/zinc/35/22/49/250352249.db2.gz SGZKZYUFEAEAPH-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000481745484 250352253 /nfs/dbraw/zinc/35/22/53/250352253.db2.gz SGZKZYUFEAEAPH-INMHGKMJSA-N 2 1 350.507 0.918 10 0 FCAEMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000481742436 250352921 /nfs/dbraw/zinc/35/29/21/250352921.db2.gz YYIQFRJSDYQGCG-HOTGVXAUSA-N 2 1 355.479 0.629 10 0 FCAEMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000481742436 250352923 /nfs/dbraw/zinc/35/29/23/250352923.db2.gz YYIQFRJSDYQGCG-HOTGVXAUSA-N 2 1 355.479 0.629 10 0 FCAEMP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000481742438 250353102 /nfs/dbraw/zinc/35/31/02/250353102.db2.gz YYIQFRJSDYQGCG-JKSUJKDBSA-N 2 1 355.479 0.629 10 0 FCAEMP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000481742438 250353104 /nfs/dbraw/zinc/35/31/04/250353104.db2.gz YYIQFRJSDYQGCG-JKSUJKDBSA-N 2 1 355.479 0.629 10 0 FCAEMP CC(C)[C@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000066932164 208019779 /nfs/dbraw/zinc/01/97/79/208019779.db2.gz CXRXUADFAGPUPC-GOSISDBHSA-N 2 1 352.523 0.975 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091848673 208140192 /nfs/dbraw/zinc/14/01/92/208140192.db2.gz UMVRAPZECHUCKI-QGZVFWFLSA-N 2 1 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C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000583804942 491852394 /nfs/dbraw/zinc/85/23/94/491852394.db2.gz ISDZGCKMUWHYAR-AIANPOQGSA-N 2 1 350.507 0.964 10 0 FCAEMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000583883884 491854154 /nfs/dbraw/zinc/85/41/54/491854154.db2.gz KAYVCSHMHURJLW-WMZOPIPTSA-N 2 1 373.501 0.791 10 0 FCAEMP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600886156 491887963 /nfs/dbraw/zinc/88/79/63/491887963.db2.gz MDBFGFZAJOSXFM-QLFBSQMISA-N 2 1 367.490 0.975 10 0 FCAEMP C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600886156 491887965 /nfs/dbraw/zinc/88/79/65/491887965.db2.gz MDBFGFZAJOSXFM-QLFBSQMISA-N 2 1 367.490 0.975 10 0 FCAEMP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@H]1C(=O)OC(C)(C)C ZINC000600886157 491888264 /nfs/dbraw/zinc/88/82/64/491888264.db2.gz MDBFGFZAJOSXFM-RBSFLKMASA-N 2 1 367.490 0.975 10 0 FCAEMP C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC[C@H]1C(=O)OC(C)(C)C ZINC000600886157 491888266 /nfs/dbraw/zinc/88/82/66/491888266.db2.gz MDBFGFZAJOSXFM-RBSFLKMASA-N 2 1 367.490 0.975 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000612037337 491893549 /nfs/dbraw/zinc/89/35/49/491893549.db2.gz JZUPTNAEJJFZQX-INMHGKMJSA-N 2 1 350.507 0.966 10 0 FCAEMP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000602155190 491964548 /nfs/dbraw/zinc/96/45/48/491964548.db2.gz CMKSVYGJSKTZPU-QGZVFWFLSA-N 2 1 361.490 0.674 10 0 FCAEMP CC1[C@H](C(=O)NCC2=CC[NH+](C)CC2)[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000613267806 491975517 /nfs/dbraw/zinc/97/55/17/491975517.db2.gz SQPANOLKGPEMEW-ROUUACIJSA-N 2 1 360.502 0.625 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc2F)CC1 ZINC000614851442 492059709 /nfs/dbraw/zinc/05/97/09/492059709.db2.gz AIUVAUDFRWHUAL-OAHLLOKOSA-N 2 1 352.454 0.620 10 0 FCAEMP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000617111872 492155472 /nfs/dbraw/zinc/15/54/72/492155472.db2.gz FFGPJCBETINXKB-SFHVURJKSA-N 2 1 350.507 0.384 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cnnn2)CCCCC1 ZINC000617502578 492172085 /nfs/dbraw/zinc/17/20/85/492172085.db2.gz VAONUKBQVWZYMA-HNNXBMFYSA-N 2 1 351.499 0.721 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(n2cnnn2)CCCCC1 ZINC000617502578 492172087 /nfs/dbraw/zinc/17/20/87/492172087.db2.gz VAONUKBQVWZYMA-HNNXBMFYSA-N 2 1 351.499 0.721 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000617506261 492172650 /nfs/dbraw/zinc/17/26/50/492172650.db2.gz HRROEECBDFJSKB-KBPBESRZSA-N 2 1 364.556 0.339 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000617506261 492172652 /nfs/dbraw/zinc/17/26/52/492172652.db2.gz HRROEECBDFJSKB-KBPBESRZSA-N 2 1 364.556 0.339 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C2CCOCC2)nn1 ZINC000617508186 492173788 /nfs/dbraw/zinc/17/37/88/492173788.db2.gz WMEXCDIPOPJBQH-AWEZNQCLSA-N 2 1 352.483 0.631 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C2CCOCC2)nn1 ZINC000617508186 492173790 /nfs/dbraw/zinc/17/37/90/492173790.db2.gz WMEXCDIPOPJBQH-AWEZNQCLSA-N 2 1 352.483 0.631 10 0 FCAEMP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000617696548 492180679 /nfs/dbraw/zinc/18/06/79/492180679.db2.gz LKYGRDUSNYXWAF-GOSISDBHSA-N 2 1 371.485 0.941 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627429071 492293007 /nfs/dbraw/zinc/29/30/07/492293007.db2.gz XHOSQVBNZNKNHU-ZJIFWQFVSA-N 2 1 364.490 0.003 10 0 FCAEMP COc1cccc([C@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)c1 ZINC000654351203 492293380 /nfs/dbraw/zinc/29/33/80/492293380.db2.gz CVMZUIKWUPORIT-JZXOWHBKSA-N 2 1 362.474 0.758 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000627459075 492304952 /nfs/dbraw/zinc/30/49/52/492304952.db2.gz ZCRUHWJMNORMKZ-OKZBNKHCSA-N 2 1 358.486 0.976 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000627462767 492305842 /nfs/dbraw/zinc/30/58/42/492305842.db2.gz CDXVRJLPIMFVKQ-SJORKVTESA-N 2 1 368.522 0.452 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[C@H]1C ZINC000647561422 492308357 /nfs/dbraw/zinc/30/83/57/492308357.db2.gz QBPNODUMDDPXGA-CVEARBPZSA-N 2 1 366.506 0.251 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[C@H]1C ZINC000647561422 492308361 /nfs/dbraw/zinc/30/83/61/492308361.db2.gz QBPNODUMDDPXGA-CVEARBPZSA-N 2 1 366.506 0.251 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000647561423 492308841 /nfs/dbraw/zinc/30/88/41/492308841.db2.gz QBPNODUMDDPXGA-HOTGVXAUSA-N 2 1 366.506 0.251 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000647561423 492308845 /nfs/dbraw/zinc/30/88/45/492308845.db2.gz QBPNODUMDDPXGA-HOTGVXAUSA-N 2 1 366.506 0.251 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[NH2+]1 ZINC000627476240 492313766 /nfs/dbraw/zinc/31/37/66/492313766.db2.gz CIRNHDLIHVXIQK-HUUCEWRRSA-N 2 1 364.515 0.692 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[N@@H+]1CCOC ZINC000627477509 492314733 /nfs/dbraw/zinc/31/47/33/492314733.db2.gz XNPDSLJKYYHKGK-HRCADAONSA-N 2 1 354.495 0.202 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[N@H+]1CCOC ZINC000627477509 492314735 /nfs/dbraw/zinc/31/47/35/492314735.db2.gz XNPDSLJKYYHKGK-HRCADAONSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[NH2+]1 ZINC000627477374 492314768 /nfs/dbraw/zinc/31/47/68/492314768.db2.gz VCKPNDNMNFRAAE-GJZGRUSLSA-N 2 1 354.495 0.060 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000654584748 492322959 /nfs/dbraw/zinc/32/29/59/492322959.db2.gz STDZIBANGBHFPJ-UHFFFAOYSA-N 2 1 365.401 0.456 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000627503694 492325633 /nfs/dbraw/zinc/32/56/33/492325633.db2.gz XTQDWNXOZRIYPM-CGTJXYLNSA-N 2 1 358.486 0.628 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000627501626 492325952 /nfs/dbraw/zinc/32/59/52/492325952.db2.gz SBKISZOOLDWOFZ-LUKYLMHMSA-N 2 1 350.507 0.966 10 0 FCAEMP COC1CC[NH+](CCNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650256 492330778 /nfs/dbraw/zinc/33/07/78/492330778.db2.gz BXGQYWDVPGDORU-HRCADAONSA-N 2 1 356.511 0.894 10 0 FCAEMP COC1CC[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650256 492330782 /nfs/dbraw/zinc/33/07/82/492330782.db2.gz BXGQYWDVPGDORU-HRCADAONSA-N 2 1 356.511 0.894 10 0 FCAEMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654682 492333386 /nfs/dbraw/zinc/33/33/86/492333386.db2.gz DENLKLRSTBQFAI-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654682 492333388 /nfs/dbraw/zinc/33/33/88/492333388.db2.gz DENLKLRSTBQFAI-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654682 492333393 /nfs/dbraw/zinc/33/33/93/492333393.db2.gz DENLKLRSTBQFAI-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654682 492333395 /nfs/dbraw/zinc/33/33/95/492333395.db2.gz DENLKLRSTBQFAI-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[NH+](C)[C@@H]1C[C@H](CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000654657936 492335249 /nfs/dbraw/zinc/33/52/49/492335249.db2.gz WSBPYTQWPNIKMZ-WOVMCDHWSA-N 2 1 365.522 0.522 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000642192393 492339797 /nfs/dbraw/zinc/33/97/97/492339797.db2.gz AFWTWZICBYKQAU-JCURWCKSSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NC[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000642192393 492339799 /nfs/dbraw/zinc/33/97/99/492339799.db2.gz AFWTWZICBYKQAU-JCURWCKSSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000642192394 492340248 /nfs/dbraw/zinc/34/02/48/492340248.db2.gz AFWTWZICBYKQAU-OAUYIBNBSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000642192394 492340251 /nfs/dbraw/zinc/34/02/51/492340251.db2.gz AFWTWZICBYKQAU-OAUYIBNBSA-N 2 1 360.458 0.553 10 0 FCAEMP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H](C)[NH2+]1 ZINC000620903591 492344002 /nfs/dbraw/zinc/34/40/02/492344002.db2.gz WOOGYVHIIRIJIE-BBWFWOEESA-N 2 1 366.506 0.299 10 0 FCAEMP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC1(O)CCOCC1 ZINC000634698500 492360540 /nfs/dbraw/zinc/36/05/40/492360540.db2.gz NXMGKRKPMKIOCA-LJQANCHMSA-N 2 1 364.486 0.901 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000634724743 492363706 /nfs/dbraw/zinc/36/37/06/492363706.db2.gz WVRFLCXHENHLDE-HLAWJBBLSA-N 3 1 360.546 0.952 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642898381 492398497 /nfs/dbraw/zinc/39/84/97/492398497.db2.gz QJAGPOLCYUUUBZ-CRAIPNDOSA-N 2 1 358.486 0.963 10 0 FCAEMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)cs1 ZINC000655298385 492428646 /nfs/dbraw/zinc/42/86/46/492428646.db2.gz IDKAQDRALHQWTG-DLBZAZTESA-N 2 1 364.515 0.941 10 0 FCAEMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)cs1 ZINC000655298385 492428647 /nfs/dbraw/zinc/42/86/47/492428647.db2.gz IDKAQDRALHQWTG-DLBZAZTESA-N 2 1 364.515 0.941 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970738 492500083 /nfs/dbraw/zinc/50/00/83/492500083.db2.gz KTYWRFDRGSUZQY-WCXIOVBPSA-N 2 1 368.522 0.881 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970738 492500085 /nfs/dbraw/zinc/50/00/85/492500085.db2.gz KTYWRFDRGSUZQY-WCXIOVBPSA-N 2 1 368.522 0.881 10 0 FCAEMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000656028423 492521051 /nfs/dbraw/zinc/52/10/51/492521051.db2.gz LARMRCYEDNJCDN-FGTMMUONSA-N 2 1 371.485 0.688 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000656028423 492521053 /nfs/dbraw/zinc/52/10/53/492521053.db2.gz LARMRCYEDNJCDN-FGTMMUONSA-N 2 1 371.485 0.688 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656042842 492523457 /nfs/dbraw/zinc/52/34/57/492523457.db2.gz VURNSTCLMLKIDV-UXLLHSPISA-N 2 1 374.485 0.625 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)COC3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000649344730 492539642 /nfs/dbraw/zinc/53/96/42/492539642.db2.gz NZQIMRSPBXTADD-OAHLLOKOSA-N 2 1 363.458 0.773 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)COC3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000649344730 492539647 /nfs/dbraw/zinc/53/96/47/492539647.db2.gz NZQIMRSPBXTADD-OAHLLOKOSA-N 2 1 363.458 0.773 10 0 FCAEMP CN1CC[NH+](CCOc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)CC1 ZINC000649352802 492545441 /nfs/dbraw/zinc/54/54/41/492545441.db2.gz NDICUSGCNLFTRY-UHFFFAOYSA-N 2 1 362.474 0.630 10 0 FCAEMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623395730 492550275 /nfs/dbraw/zinc/55/02/75/492550275.db2.gz WQQWHSGECRJKET-MRXNPFEDSA-N 2 1 360.506 0.978 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000649415031 492552519 /nfs/dbraw/zinc/55/25/19/492552519.db2.gz FTWPEQHVBWNTBX-IPMKNSEASA-N 2 1 366.550 0.923 10 0 FCAEMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000656289105 492571146 /nfs/dbraw/zinc/57/11/46/492571146.db2.gz LAZPSSYMLRHCDW-YHUYYLMFSA-N 2 1 368.522 0.447 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000629568298 492647018 /nfs/dbraw/zinc/64/70/18/492647018.db2.gz ITDHFIKVJBJBGQ-LSDHHAIUSA-N 2 1 351.447 0.499 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000629568436 492647084 /nfs/dbraw/zinc/64/70/84/492647084.db2.gz KGNPNDBAFVLZDK-CVEARBPZSA-N 2 1 365.474 0.841 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000629568859 492647239 /nfs/dbraw/zinc/64/72/39/492647239.db2.gz XDVXGFPUGGGCLE-UHFFFAOYSA-N 2 1 372.491 0.057 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000629568859 492647242 /nfs/dbraw/zinc/64/72/42/492647242.db2.gz XDVXGFPUGGGCLE-UHFFFAOYSA-N 2 1 372.491 0.057 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000629570627 492648811 /nfs/dbraw/zinc/64/88/11/492648811.db2.gz FJRHQSLWGVCRBG-KRWDZBQOSA-N 2 1 351.447 0.977 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000629570627 492648813 /nfs/dbraw/zinc/64/88/13/492648813.db2.gz FJRHQSLWGVCRBG-KRWDZBQOSA-N 2 1 351.447 0.977 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000629571320 492649327 /nfs/dbraw/zinc/64/93/27/492649327.db2.gz LAXADPGJEIKQKD-UHFFFAOYSA-N 2 1 352.454 0.642 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000629571320 492649330 /nfs/dbraw/zinc/64/93/30/492649330.db2.gz LAXADPGJEIKQKD-UHFFFAOYSA-N 2 1 352.454 0.642 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000629799455 492677721 /nfs/dbraw/zinc/67/77/21/492677721.db2.gz QPUKRFFNGNLCIX-CVEARBPZSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H]1C ZINC000629800064 492678515 /nfs/dbraw/zinc/67/85/15/492678515.db2.gz WZIBNBSPNLNEDF-RGCFKVTRSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000629805352 492681535 /nfs/dbraw/zinc/68/15/35/492681535.db2.gz YIWWYDXCFQZRJG-STRKUORWSA-N 2 1 374.529 0.920 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000650935459 492685662 /nfs/dbraw/zinc/68/56/62/492685662.db2.gz JUIBLIITWMQEEX-MQVJKMGUSA-N 2 1 351.495 0.417 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1=O ZINC000650993394 492692862 /nfs/dbraw/zinc/69/28/62/492692862.db2.gz IAHXVTIGFUWILI-QGZVFWFLSA-N 2 1 359.474 0.589 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1=O ZINC000650993394 492692865 /nfs/dbraw/zinc/69/28/65/492692865.db2.gz IAHXVTIGFUWILI-QGZVFWFLSA-N 2 1 359.474 0.589 10 0 FCAEMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000625370075 492765376 /nfs/dbraw/zinc/76/53/76/492765376.db2.gz IPKAZUPMYDHHEG-GOSISDBHSA-N 2 1 371.485 0.863 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552295 492818175 /nfs/dbraw/zinc/81/81/75/492818175.db2.gz NOVLHNVABDGHFW-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625552295 492818179 /nfs/dbraw/zinc/81/81/79/492818179.db2.gz NOVLHNVABDGHFW-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625552295 492818183 /nfs/dbraw/zinc/81/81/83/492818183.db2.gz NOVLHNVABDGHFW-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)CC2)N1 ZINC000658134347 492843080 /nfs/dbraw/zinc/84/30/80/492843080.db2.gz AKZJHNPVOLQTTG-GNZRSQJKSA-N 2 1 372.469 0.864 10 0 FCAEMP COCC[N@@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)C1 ZINC000652035844 492870808 /nfs/dbraw/zinc/87/08/08/492870808.db2.gz JZEGXHZHFVXZEO-UHFFFAOYSA-N 2 1 362.522 0.771 10 0 FCAEMP COCC[N@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)C1 ZINC000652035844 492870810 /nfs/dbraw/zinc/87/08/10/492870810.db2.gz JZEGXHZHFVXZEO-UHFFFAOYSA-N 2 1 362.522 0.771 10 0 FCAEMP CCc1ccc([C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000631909361 492875794 /nfs/dbraw/zinc/87/57/94/492875794.db2.gz BZDHYAAKSDAHRB-IAGOWNOFSA-N 2 1 355.504 0.760 10 0 FCAEMP CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631911921 492878034 /nfs/dbraw/zinc/87/80/34/492878034.db2.gz AUKVHDYURQBBED-KRWDZBQOSA-N 2 1 355.504 0.935 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000631913021 492878929 /nfs/dbraw/zinc/87/89/29/492878929.db2.gz CEHAWCBXYKHOOW-QGZVFWFLSA-N 2 1 371.478 0.698 10 0 FCAEMP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000645220134 492879530 /nfs/dbraw/zinc/87/95/30/492879530.db2.gz NBAAGHAFVFVSHE-PMPSAXMXSA-N 2 1 353.511 0.868 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631919664 492884718 /nfs/dbraw/zinc/88/47/18/492884718.db2.gz KRGZXKGZGJIXNI-SFHVURJKSA-N 2 1 372.579 0.904 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631920260 492885239 /nfs/dbraw/zinc/88/52/39/492885239.db2.gz VSIOAZXZMLDHCR-IKGGRYGDSA-N 2 1 359.536 0.891 10 0 FCAEMP C[NH+](C)[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000631925062 492886712 /nfs/dbraw/zinc/88/67/12/492886712.db2.gz LWMONWSEQHEOIS-LSDHHAIUSA-N 2 1 361.895 0.851 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000658431411 492887557 /nfs/dbraw/zinc/88/75/57/492887557.db2.gz AIGDSBJPNMHYBZ-JKSUJKDBSA-N 2 1 366.506 0.299 10 0 FCAEMP CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000658431411 492887559 /nfs/dbraw/zinc/88/75/59/492887559.db2.gz AIGDSBJPNMHYBZ-JKSUJKDBSA-N 2 1 366.506 0.299 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000652152611 492888324 /nfs/dbraw/zinc/88/83/24/492888324.db2.gz RRJHQQUOGXVWIK-KRWDZBQOSA-N 2 1 367.538 0.565 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000652152611 492888326 /nfs/dbraw/zinc/88/83/26/492888326.db2.gz RRJHQQUOGXVWIK-KRWDZBQOSA-N 2 1 367.538 0.565 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000652224749 492896728 /nfs/dbraw/zinc/89/67/28/492896728.db2.gz HFGCRCODSUKBRU-INIZCTEOSA-N 2 1 355.527 0.993 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658451726 492898952 /nfs/dbraw/zinc/89/89/52/492898952.db2.gz AWASHBJEZMVVED-KRWDZBQOSA-N 2 1 368.522 0.090 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000632026654 492913866 /nfs/dbraw/zinc/91/38/66/492913866.db2.gz JVEPGKOCBQQEBC-SJORKVTESA-N 2 1 360.568 0.616 10 0 FCAEMP CCO[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000652356968 492914766 /nfs/dbraw/zinc/91/47/66/492914766.db2.gz UDELJAVEDJINOJ-IAGOWNOFSA-N 2 1 361.490 0.416 10 0 FCAEMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000652362557 492916537 /nfs/dbraw/zinc/91/65/37/492916537.db2.gz JONOCGQCWCDSJR-NUEKZKHPSA-N 2 1 371.507 0.059 10 0 FCAEMP [NH3+]C1(CC(=O)NCC(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638279913 492928514 /nfs/dbraw/zinc/92/85/14/492928514.db2.gz WPNSMHYKUKIXMX-UHFFFAOYSA-N 2 1 374.485 0.345 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638429204 492945922 /nfs/dbraw/zinc/94/59/22/492945922.db2.gz IBLDMKMFQYSANB-AZUAARDMSA-N 2 1 360.502 0.674 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638429204 492945924 /nfs/dbraw/zinc/94/59/24/492945924.db2.gz IBLDMKMFQYSANB-AZUAARDMSA-N 2 1 360.502 0.674 10 0 FCAEMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000645623986 492946073 /nfs/dbraw/zinc/94/60/73/492946073.db2.gz SAKCVVABUGVNRS-GDBMZVCRSA-N 2 1 360.458 0.858 10 0 FCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632184056 492946825 /nfs/dbraw/zinc/94/68/25/492946825.db2.gz MIVAMMBXDAYMFC-WBVHZDCISA-N 2 1 355.504 0.757 10 0 FCAEMP C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632184056 492946828 /nfs/dbraw/zinc/94/68/28/492946828.db2.gz MIVAMMBXDAYMFC-WBVHZDCISA-N 2 1 355.504 0.757 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCc1ncn(C)n1 ZINC000645768817 492973042 /nfs/dbraw/zinc/97/30/42/492973042.db2.gz ZOGOKYLDRPEVOM-MRXNPFEDSA-N 2 1 365.526 0.805 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000652680983 492988109 /nfs/dbraw/zinc/98/81/09/492988109.db2.gz XDDFASHGMJPKKS-HNNXBMFYSA-N 2 1 362.474 0.107 10 0 FCAEMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000645957800 492992644 /nfs/dbraw/zinc/99/26/44/492992644.db2.gz PDZJLXQNINCJEW-DLBZAZTESA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000658670313 493001006 /nfs/dbraw/zinc/00/10/06/493001006.db2.gz RVNGKHYPVHNOCN-LSDHHAIUSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000658670313 493001010 /nfs/dbraw/zinc/00/10/10/493001010.db2.gz RVNGKHYPVHNOCN-LSDHHAIUSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000658670313 493001014 /nfs/dbraw/zinc/00/10/14/493001014.db2.gz RVNGKHYPVHNOCN-LSDHHAIUSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000658670313 493001019 /nfs/dbraw/zinc/00/10/19/493001019.db2.gz RVNGKHYPVHNOCN-LSDHHAIUSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000658670308 493001198 /nfs/dbraw/zinc/00/11/98/493001198.db2.gz RVNGKHYPVHNOCN-CABCVRRESA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000658670308 493001204 /nfs/dbraw/zinc/00/12/04/493001204.db2.gz RVNGKHYPVHNOCN-CABCVRRESA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000658670308 493001206 /nfs/dbraw/zinc/00/12/06/493001206.db2.gz RVNGKHYPVHNOCN-CABCVRRESA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CC(C)(C)O ZINC000658670308 493001211 /nfs/dbraw/zinc/00/12/11/493001211.db2.gz RVNGKHYPVHNOCN-CABCVRRESA-N 2 1 368.522 0.279 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652729469 493007927 /nfs/dbraw/zinc/00/79/27/493007927.db2.gz HDZTWOPBKGGGKR-ZJIFWQFVSA-N 2 1 354.495 0.140 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646107588 493012679 /nfs/dbraw/zinc/01/26/79/493012679.db2.gz OREDSXPUUHLRRQ-HNNXBMFYSA-N 2 1 364.412 0.587 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646107588 493012680 /nfs/dbraw/zinc/01/26/80/493012680.db2.gz OREDSXPUUHLRRQ-HNNXBMFYSA-N 2 1 364.412 0.587 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646107591 493013153 /nfs/dbraw/zinc/01/31/53/493013153.db2.gz OREDSXPUUHLRRQ-OAHLLOKOSA-N 2 1 364.412 0.587 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)CC1 ZINC000646107591 493013157 /nfs/dbraw/zinc/01/31/57/493013157.db2.gz OREDSXPUUHLRRQ-OAHLLOKOSA-N 2 1 364.412 0.587 10 0 FCAEMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000646112507 493014284 /nfs/dbraw/zinc/01/42/84/493014284.db2.gz QAYOJWOLDQWLGY-CQSZACIVSA-N 2 1 350.385 0.151 10 0 FCAEMP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000646112507 493014287 /nfs/dbraw/zinc/01/42/87/493014287.db2.gz QAYOJWOLDQWLGY-CQSZACIVSA-N 2 1 350.385 0.151 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)CC[C@@H]21 ZINC000658705673 493019204 /nfs/dbraw/zinc/01/92/04/493019204.db2.gz KHHMCSZKOSMRIY-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC[C@@H]21 ZINC000658705673 493019207 /nfs/dbraw/zinc/01/92/07/493019207.db2.gz KHHMCSZKOSMRIY-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)CC[C@@H]21 ZINC000658705673 493019208 /nfs/dbraw/zinc/01/92/08/493019208.db2.gz KHHMCSZKOSMRIY-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626806416 493022858 /nfs/dbraw/zinc/02/28/58/493022858.db2.gz KQVLSAINJXAGCG-CQSZACIVSA-N 2 1 360.458 0.907 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809096 493023593 /nfs/dbraw/zinc/02/35/93/493023593.db2.gz BYDYGUMUVMMNEP-WBMJQRKESA-N 2 1 358.442 0.706 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000626866313 493040740 /nfs/dbraw/zinc/04/07/40/493040740.db2.gz NFOJXSBNMIWJIH-ZWKOTPCHSA-N 2 1 374.485 0.757 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658801366 493060524 /nfs/dbraw/zinc/06/05/24/493060524.db2.gz ARVREKRRTXEAAP-KRWDZBQOSA-N 2 1 366.506 0.110 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626924245 493063459 /nfs/dbraw/zinc/06/34/59/493063459.db2.gz LRGZIRPVZHSPOR-UHFFFAOYSA-N 2 1 350.463 0.554 10 0 FCAEMP CN(CCOCC[NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626924524 493064048 /nfs/dbraw/zinc/06/40/48/493064048.db2.gz WCYABOQVYCVZMB-UHFFFAOYSA-N 2 1 350.463 0.636 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[C@H]1CC[N@@H+](CC)C1 ZINC000658827920 493074816 /nfs/dbraw/zinc/07/48/16/493074816.db2.gz YISWSJDKGOITBC-QFBILLFUSA-N 2 1 350.507 0.873 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@H]1CC[NH+](CC)C1 ZINC000658827920 493074821 /nfs/dbraw/zinc/07/48/21/493074821.db2.gz YISWSJDKGOITBC-QFBILLFUSA-N 2 1 350.507 0.873 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@H]1CC[NH+](CC)C1 ZINC000658827920 493074825 /nfs/dbraw/zinc/07/48/25/493074825.db2.gz YISWSJDKGOITBC-QFBILLFUSA-N 2 1 350.507 0.873 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658830142 493076962 /nfs/dbraw/zinc/07/69/62/493076962.db2.gz QGUAYHFTJWEGDR-KRWDZBQOSA-N 2 1 359.474 0.673 10 0 FCAEMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC2([NH3+])CCOCC2)C[C@@H](C)O1 ZINC000627154423 493097430 /nfs/dbraw/zinc/09/74/30/493097430.db2.gz XRMLVNIJRYALRV-OAGGEKHMSA-N 2 1 354.495 0.778 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000627173817 493100875 /nfs/dbraw/zinc/10/08/75/493100875.db2.gz GKAOYXNVBFSVCE-QZTJIDSGSA-N 2 1 364.490 0.405 10 0 FCAEMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658926712 493111889 /nfs/dbraw/zinc/11/18/89/493111889.db2.gz GKMRZZFSAAIQDQ-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000658926596 493112398 /nfs/dbraw/zinc/11/23/98/493112398.db2.gz DKWSIUGYBCLKAP-LPHOPBHVSA-N 2 1 366.506 0.110 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633114696 493131953 /nfs/dbraw/zinc/13/19/53/493131953.db2.gz YRZIGBVBDVVFIK-KBAYOESNSA-N 2 1 358.486 0.425 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633114696 493131958 /nfs/dbraw/zinc/13/19/58/493131958.db2.gz YRZIGBVBDVVFIK-KBAYOESNSA-N 2 1 358.486 0.425 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccccc1 ZINC000627297321 493139001 /nfs/dbraw/zinc/13/90/01/493139001.db2.gz HJWZLFIWWBVQJB-YESZJQIVSA-N 2 1 356.470 0.949 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296692 493139170 /nfs/dbraw/zinc/13/91/70/493139170.db2.gz PACXENOOVAYXDH-LSDHHAIUSA-N 2 1 352.479 0.004 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297408 493140785 /nfs/dbraw/zinc/14/07/85/493140785.db2.gz JEXLOQFFTCSPLS-LSDHHAIUSA-N 2 1 354.495 0.108 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659079282 493143552 /nfs/dbraw/zinc/14/35/52/493143552.db2.gz MMDJWQBYZDHVOQ-DLBZAZTESA-N 2 1 360.458 0.887 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659084454 493146042 /nfs/dbraw/zinc/14/60/42/493146042.db2.gz ZLBHLZOKYZVYCO-XLIONFOSSA-N 2 1 372.469 0.840 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000627313689 493147269 /nfs/dbraw/zinc/14/72/69/493147269.db2.gz KQRAQUSVXSMXBQ-YYIAUSFCSA-N 2 1 368.522 0.496 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCCOCCC[NH3+])cc1 ZINC000627315025 493148689 /nfs/dbraw/zinc/14/86/89/493148689.db2.gz TYCKLCCERPHUND-CQSZACIVSA-N 2 1 373.457 0.840 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627319030 493149977 /nfs/dbraw/zinc/14/99/77/493149977.db2.gz IHYKRFRNBYTFJT-APIJFGDWSA-N 2 1 354.495 0.247 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627319030 493149980 /nfs/dbraw/zinc/14/99/80/493149980.db2.gz IHYKRFRNBYTFJT-APIJFGDWSA-N 2 1 354.495 0.247 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000633413734 493153404 /nfs/dbraw/zinc/15/34/04/493153404.db2.gz NTHUWJXPDJFFIW-DLBZAZTESA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627328403 493155467 /nfs/dbraw/zinc/15/54/67/493155467.db2.gz AIHVMUVTDNEYKO-HZPDHXFCSA-N 2 1 350.507 0.871 10 0 FCAEMP C[C@H](c1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1)[NH+]1CCOCC1 ZINC000659106473 493156056 /nfs/dbraw/zinc/15/60/56/493156056.db2.gz PVZJIDYTHLKEJW-ZUIJCZDSSA-N 2 1 372.469 0.887 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627328587 493156286 /nfs/dbraw/zinc/15/62/86/493156286.db2.gz GWDZGVQWHJOIJX-FFZOFVMBSA-N 2 1 364.534 0.929 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000627337176 493160744 /nfs/dbraw/zinc/16/07/44/493160744.db2.gz WRIFMCIOOCZBBD-NWDGAFQWSA-N 2 1 352.401 0.634 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000627337176 493160748 /nfs/dbraw/zinc/16/07/48/493160748.db2.gz WRIFMCIOOCZBBD-NWDGAFQWSA-N 2 1 352.401 0.634 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000627339136 493161705 /nfs/dbraw/zinc/16/17/05/493161705.db2.gz ACJYPPYULZBYPZ-VHDGCEQUSA-N 2 1 364.515 0.868 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000627339136 493161710 /nfs/dbraw/zinc/16/17/10/493161710.db2.gz ACJYPPYULZBYPZ-VHDGCEQUSA-N 2 1 364.515 0.868 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149336 493172742 /nfs/dbraw/zinc/17/27/42/493172742.db2.gz AAHORXISOBWUIS-UHFFFAOYSA-N 2 1 359.474 0.595 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000627388292 493195960 /nfs/dbraw/zinc/19/59/60/493195960.db2.gz QXDKMPPGJCKFKM-NVXWUHKLSA-N 2 1 362.474 0.118 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672543344 493201344 /nfs/dbraw/zinc/20/13/44/493201344.db2.gz FWNYMNYFSHAIMX-HOCLYGCPSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672543344 493201352 /nfs/dbraw/zinc/20/13/52/493201352.db2.gz FWNYMNYFSHAIMX-HOCLYGCPSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000659672939 493243839 /nfs/dbraw/zinc/24/38/39/493243839.db2.gz DCYJYBRGZTVIEO-MRXNPFEDSA-N 2 1 368.522 0.627 10 0 FCAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659675702 493245762 /nfs/dbraw/zinc/24/57/62/493245762.db2.gz SOHHGXXHRQYPCT-TZGCNFNXSA-N 2 1 350.507 0.871 10 0 FCAEMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000659677394 493246202 /nfs/dbraw/zinc/24/62/02/493246202.db2.gz PDTPCCKALWWRCP-KKXDTOCCSA-N 2 1 374.485 0.813 10 0 FCAEMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000659677394 493246206 /nfs/dbraw/zinc/24/62/06/493246206.db2.gz PDTPCCKALWWRCP-KKXDTOCCSA-N 2 1 374.485 0.813 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659682660 493250510 /nfs/dbraw/zinc/25/05/10/493250510.db2.gz NAJSQKCDDSGGJZ-MWQQHZPXSA-N 2 1 362.449 0.836 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659683380 493251077 /nfs/dbraw/zinc/25/10/77/493251077.db2.gz XJWQQCOQVWZIJH-UYFTZEKXSA-N 2 1 366.506 0.189 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCN(C3CC3)C2=O)CC1 ZINC000667054642 493255113 /nfs/dbraw/zinc/25/51/13/493255113.db2.gz QABRNBBBWSSUOM-UHFFFAOYSA-N 2 1 358.446 0.672 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000659691395 493256343 /nfs/dbraw/zinc/25/63/43/493256343.db2.gz PIMWWGFRSDWMGH-ZUIJCZDSSA-N 2 1 356.470 0.418 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000659691395 493256346 /nfs/dbraw/zinc/25/63/46/493256346.db2.gz PIMWWGFRSDWMGH-ZUIJCZDSSA-N 2 1 356.470 0.418 10 0 FCAEMP 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ZINC000668777024 493408835 /nfs/dbraw/zinc/40/88/35/493408835.db2.gz LRYMYNIOECOOIU-CVEARBPZSA-N 2 1 356.511 0.402 10 0 FCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668777025 493408989 /nfs/dbraw/zinc/40/89/89/493408989.db2.gz LRYMYNIOECOOIU-HOTGVXAUSA-N 2 1 356.511 0.402 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000668784280 493409818 /nfs/dbraw/zinc/40/98/18/493409818.db2.gz AMVJRYUAMAVWLT-GOSISDBHSA-N 2 1 362.522 0.771 10 0 FCAEMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000684385722 493410030 /nfs/dbraw/zinc/41/00/30/493410030.db2.gz ZTEHKBNKOBLMPR-PBHICJAKSA-N 2 1 363.462 0.641 10 0 FCAEMP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000684385722 493410032 /nfs/dbraw/zinc/41/00/32/493410032.db2.gz ZTEHKBNKOBLMPR-PBHICJAKSA-N 2 1 363.462 0.641 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000668795280 493412145 /nfs/dbraw/zinc/41/21/45/493412145.db2.gz YDXMIVZUMQBFTE-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668795280 493412147 /nfs/dbraw/zinc/41/21/47/493412147.db2.gz YDXMIVZUMQBFTE-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668795280 493412149 /nfs/dbraw/zinc/41/21/49/493412149.db2.gz YDXMIVZUMQBFTE-IRXDYDNUSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000661146370 493412806 /nfs/dbraw/zinc/41/28/06/493412806.db2.gz KMCXLQLAVODXQP-DLBZAZTESA-N 2 1 364.494 0.073 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000661146370 493412808 /nfs/dbraw/zinc/41/28/08/493412808.db2.gz KMCXLQLAVODXQP-DLBZAZTESA-N 2 1 364.494 0.073 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000661146370 493412809 /nfs/dbraw/zinc/41/28/09/493412809.db2.gz KMCXLQLAVODXQP-DLBZAZTESA-N 2 1 364.494 0.073 10 0 FCAEMP 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CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)[C@H](C)C1 ZINC000866524453 672280269 /nfs/dbraw/zinc/28/02/69/672280269.db2.gz KKZROKWLKZFCMA-SOLBZPMBSA-N 2 1 355.479 0.934 10 0 FCAEMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)C ZINC000866708489 672290171 /nfs/dbraw/zinc/29/01/71/672290171.db2.gz NXTKFEGVFXPBCT-FPCVCCKLSA-N 2 1 352.479 0.887 10 0 FCAEMP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000866800013 672307920 /nfs/dbraw/zinc/30/79/20/672307920.db2.gz KWSJUECJIWDXKT-RDBSUJKOSA-N 2 1 358.483 0.277 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)[C@@H](C)C1 ZINC000867516507 672329644 /nfs/dbraw/zinc/32/96/44/672329644.db2.gz GILDXFHUKHPVEG-VVLHAWIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[C@@H](C)C1 ZINC000867516507 672329649 /nfs/dbraw/zinc/32/96/49/672329649.db2.gz GILDXFHUKHPVEG-VVLHAWIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[C@@H](C)C1 ZINC000867516507 672329653 /nfs/dbraw/zinc/32/96/53/672329653.db2.gz GILDXFHUKHPVEG-VVLHAWIVSA-N 2 1 350.507 0.728 10 0 FCAEMP CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000867859390 672374166 /nfs/dbraw/zinc/37/41/66/672374166.db2.gz SCYGCMLDLVHLPK-UHFFFAOYSA-N 2 1 359.536 0.846 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868045433 672384052 /nfs/dbraw/zinc/38/40/52/672384052.db2.gz ALDYGHPVQZFQGC-UHFFFAOYSA-N 2 1 353.511 0.759 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872146432 672594645 /nfs/dbraw/zinc/59/46/45/672594645.db2.gz NIBQCRNMRFOOKF-YHUYYLMFSA-N 2 1 351.447 0.439 10 0 FCAEMP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872148540 672594721 /nfs/dbraw/zinc/59/47/21/672594721.db2.gz JTRGHNAEFVCDPM-GXFFZTMASA-N 2 1 367.393 0.782 10 0 FCAEMP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872148540 672594723 /nfs/dbraw/zinc/59/47/23/672594723.db2.gz JTRGHNAEFVCDPM-GXFFZTMASA-N 2 1 367.393 0.782 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[C@H](C)[N@H+]1C ZINC000872194438 672602324 /nfs/dbraw/zinc/60/23/24/672602324.db2.gz IMUKUWRGESEEGM-KXNHARMFSA-N 2 1 350.385 0.133 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[C@H](C)[N@@H+]1C ZINC000872194438 672602328 /nfs/dbraw/zinc/60/23/28/672602328.db2.gz IMUKUWRGESEEGM-KXNHARMFSA-N 2 1 350.385 0.133 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)CC[C@@H]21 ZINC000872194802 672602760 /nfs/dbraw/zinc/60/27/60/672602760.db2.gz FNVBASUMPBHQAL-VOAKCMCISA-N 2 1 362.396 0.135 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC(CC(N)=O)C1 ZINC000925073844 673775184 /nfs/dbraw/zinc/77/51/84/673775184.db2.gz BLSHBXNDDAAMTO-GPANFISMSA-N 2 1 353.511 0.698 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925165576 673780516 /nfs/dbraw/zinc/78/05/16/673780516.db2.gz TXAPGHIYBLYWBM-PMPSAXMXSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925165576 673780520 /nfs/dbraw/zinc/78/05/20/673780520.db2.gz TXAPGHIYBLYWBM-PMPSAXMXSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925165576 673780524 /nfs/dbraw/zinc/78/05/24/673780524.db2.gz TXAPGHIYBLYWBM-PMPSAXMXSA-N 2 1 356.536 0.712 10 0 FCAEMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1=O ZINC000928090653 673899587 /nfs/dbraw/zinc/89/95/87/673899587.db2.gz BTXWUSHWAHVUOZ-RBSFLKMASA-N 2 1 354.520 0.093 10 0 FCAEMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929427300 673956030 /nfs/dbraw/zinc/95/60/30/673956030.db2.gz HIKCSIRDCTZGDI-KURKYZTESA-N 2 1 355.523 0.379 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CCO)C1)[NH+]1CCC[C@@H](CCO)C1 ZINC000929529767 673961628 /nfs/dbraw/zinc/96/16/28/673961628.db2.gz UVXMCUIQDWSJFJ-SQNIBIBYSA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CCO)C1)[NH+]1CCC[C@@H](CCO)C1 ZINC000929529767 673961631 /nfs/dbraw/zinc/96/16/31/673961631.db2.gz UVXMCUIQDWSJFJ-SQNIBIBYSA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](CCO)C1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000929529767 673961632 /nfs/dbraw/zinc/96/16/32/673961632.db2.gz UVXMCUIQDWSJFJ-SQNIBIBYSA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](CCO)C1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000929529767 673961635 /nfs/dbraw/zinc/96/16/35/673961635.db2.gz UVXMCUIQDWSJFJ-SQNIBIBYSA-N 2 1 355.523 0.680 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929693878 673971980 /nfs/dbraw/zinc/97/19/80/673971980.db2.gz FZNNNRCNBJICSS-ARFHVFGLSA-N 2 1 356.511 0.306 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929693880 673972222 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WOJGZWQXIBDJHK-KFGODFMUSA-N 2 1 355.523 0.962 10 0 FCAEMP C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)CNC(=O)C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000930082308 673996862 /nfs/dbraw/zinc/99/68/62/673996862.db2.gz WOJGZWQXIBDJHK-KFGODFMUSA-N 2 1 355.523 0.962 10 0 FCAEMP C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)CNC(=O)C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000930082308 673996864 /nfs/dbraw/zinc/99/68/64/673996864.db2.gz WOJGZWQXIBDJHK-KFGODFMUSA-N 2 1 355.523 0.962 10 0 FCAEMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930144274 674000669 /nfs/dbraw/zinc/00/06/69/674000669.db2.gz DDPZXOTWKBKPDN-GOSISDBHSA-N 2 1 358.523 0.959 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000900438855 675681952 /nfs/dbraw/zinc/68/19/52/675681952.db2.gz MYPFQHFAPGKFCB-IBGZPJMESA-N 2 1 353.507 0.794 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(Cc3cnon3)CC2)CC[N@@H+]1C ZINC001266265099 1167750019 /nfs/dbraw/zinc/75/00/19/1167750019.db2.gz VKFLFLCAYRDSBZ-DLBZAZTESA-N 2 1 364.494 0.424 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(Cc3cnon3)CC2)CC[N@H+]1C ZINC001266265099 1167750032 /nfs/dbraw/zinc/75/00/32/1167750032.db2.gz VKFLFLCAYRDSBZ-DLBZAZTESA-N 2 1 364.494 0.424 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865658 1167937253 /nfs/dbraw/zinc/93/72/53/1167937253.db2.gz LGNNPIIJGSPTPI-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865658 1167937259 /nfs/dbraw/zinc/93/72/59/1167937259.db2.gz LGNNPIIJGSPTPI-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865658 1167937264 /nfs/dbraw/zinc/93/72/64/1167937264.db2.gz LGNNPIIJGSPTPI-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480865658 1167937269 /nfs/dbraw/zinc/93/72/69/1167937269.db2.gz LGNNPIIJGSPTPI-ZIAGYGMSSA-N 2 1 355.483 0.001 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897603896 1192830017 /nfs/dbraw/zinc/83/00/17/1192830017.db2.gz HYWHEKYJPILALB-CQSZACIVSA-N 2 1 356.430 0.440 10 0 FCAEMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000897677053 1192841220 /nfs/dbraw/zinc/84/12/20/1192841220.db2.gz GBIVFPLEYVBUBZ-MRXNPFEDSA-N 2 1 366.506 0.300 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000897832080 1192847897 /nfs/dbraw/zinc/84/78/97/1192847897.db2.gz FVTSAKSJPAPHGW-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000897832080 1192847898 /nfs/dbraw/zinc/84/78/98/1192847898.db2.gz FVTSAKSJPAPHGW-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000897832080 1192847903 /nfs/dbraw/zinc/84/79/03/1192847903.db2.gz FVTSAKSJPAPHGW-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000897832080 1192847905 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JRPHMFYDRHFCBH-SZVBFZGTSA-N 2 1 363.506 0.246 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCc3cnn(C)c3)C2)CC[NH+]1C ZINC001271965228 1190788079 /nfs/dbraw/zinc/78/80/79/1190788079.db2.gz JRPHMFYDRHFCBH-SZVBFZGTSA-N 2 1 363.506 0.246 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCc3cnn(C)c3)C2)CC[NH+]1C ZINC001271965228 1190788081 /nfs/dbraw/zinc/78/80/81/1190788081.db2.gz JRPHMFYDRHFCBH-SZVBFZGTSA-N 2 1 363.506 0.246 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550785223 1193792711 /nfs/dbraw/zinc/79/27/11/1193792711.db2.gz QGNPKJLZPLPAPG-IRXDYDNUSA-N 2 1 368.522 0.404 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+]1CCOCC1 ZINC000552880995 1193957567 /nfs/dbraw/zinc/95/75/67/1193957567.db2.gz CPURUNMQLZOOJZ-XYTVBORESA-N 2 1 366.506 0.202 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C[NH+]1CCOCC1 ZINC000552880995 1193957570 /nfs/dbraw/zinc/95/75/70/1193957570.db2.gz CPURUNMQLZOOJZ-XYTVBORESA-N 2 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CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001489009252 1208604677 /nfs/dbraw/zinc/60/46/77/1208604677.db2.gz FZYRSXBIVFKURP-YYIAUSFCSA-N 2 1 368.522 0.258 10 0 FCAEMP CCOCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001489031847 1208614288 /nfs/dbraw/zinc/61/42/88/1208614288.db2.gz PEJVSJRWNQUZHI-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]21 ZINC001489261010 1208700988 /nfs/dbraw/zinc/70/09/88/1208700988.db2.gz GMWMPOPEGKSLDK-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001489261010 1208700992 /nfs/dbraw/zinc/70/09/92/1208700992.db2.gz GMWMPOPEGKSLDK-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001489261010 1208700998 /nfs/dbraw/zinc/70/09/98/1208700998.db2.gz GMWMPOPEGKSLDK-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001489528480 1208883546 /nfs/dbraw/zinc/88/35/46/1208883546.db2.gz XQXCUYAKCFTTSX-HZPDHXFCSA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001489528480 1208883547 /nfs/dbraw/zinc/88/35/47/1208883547.db2.gz XQXCUYAKCFTTSX-HZPDHXFCSA-N 2 1 354.495 0.153 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001489528480 1208883548 /nfs/dbraw/zinc/88/35/48/1208883548.db2.gz XQXCUYAKCFTTSX-HZPDHXFCSA-N 2 1 354.495 0.153 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]2C)C[C@H]1OC ZINC001489545823 1208908168 /nfs/dbraw/zinc/90/81/68/1208908168.db2.gz XVYIJCNYBRUWLL-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1OC ZINC001489545823 1208908178 /nfs/dbraw/zinc/90/81/78/1208908178.db2.gz XVYIJCNYBRUWLL-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1OC ZINC001489545823 1208908182 /nfs/dbraw/zinc/90/81/82/1208908182.db2.gz XVYIJCNYBRUWLL-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001489590048 1209010222 /nfs/dbraw/zinc/01/02/22/1209010222.db2.gz STOGFWINLOZIJF-ZACQAIPSSA-N 2 1 366.506 0.033 10 0 FCAEMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649850 1209036488 /nfs/dbraw/zinc/03/64/88/1209036488.db2.gz CQPUDMDTKTZHKP-IXDOHACOSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649850 1209036491 /nfs/dbraw/zinc/03/64/91/1209036491.db2.gz CQPUDMDTKTZHKP-IXDOHACOSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649850 1209036494 /nfs/dbraw/zinc/03/64/94/1209036494.db2.gz CQPUDMDTKTZHKP-IXDOHACOSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001489868396 1209126649 /nfs/dbraw/zinc/12/66/49/1209126649.db2.gz AGVMKKYZDLRXHE-XHSDSOJGSA-N 2 1 366.506 0.060 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001489868396 1209126660 /nfs/dbraw/zinc/12/66/60/1209126660.db2.gz AGVMKKYZDLRXHE-XHSDSOJGSA-N 2 1 366.506 0.060 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001489896012 1209139909 /nfs/dbraw/zinc/13/99/09/1209139909.db2.gz LLSCYWHPPZPEPT-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001490237464 1209282768 /nfs/dbraw/zinc/28/27/68/1209282768.db2.gz ISYGCRRHZUOFRC-APWZRJJASA-N 2 1 364.534 0.977 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001490237841 1209283662 /nfs/dbraw/zinc/28/36/62/1209283662.db2.gz MQLKGZJWBBAASP-FRQCXROJSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490423825 1209350243 /nfs/dbraw/zinc/35/02/43/1209350243.db2.gz YEUQTNUWAJQEJI-ZACQAIPSSA-N 2 1 362.518 0.635 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001490770514 1209427104 /nfs/dbraw/zinc/42/71/04/1209427104.db2.gz LMQXESGLPDMCLJ-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001490770514 1209427112 /nfs/dbraw/zinc/42/71/12/1209427112.db2.gz LMQXESGLPDMCLJ-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP CN(CC1C[NH+](C)C1)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000853553250 1209598168 /nfs/dbraw/zinc/59/81/68/1209598168.db2.gz CMYZSRZKKAFXNB-HDICACEKSA-N 2 1 356.470 0.554 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000855345479 1209665944 /nfs/dbraw/zinc/66/59/44/1209665944.db2.gz BMFUIZBOJJFEAJ-INIZCTEOSA-N 2 1 363.506 0.920 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000855345479 1209665945 /nfs/dbraw/zinc/66/59/45/1209665945.db2.gz BMFUIZBOJJFEAJ-INIZCTEOSA-N 2 1 363.506 0.920 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593355 1209716300 /nfs/dbraw/zinc/71/63/00/1209716300.db2.gz RNSCQUFPEBMWRK-CJNGLKHVSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593355 1209716310 /nfs/dbraw/zinc/71/63/10/1209716310.db2.gz RNSCQUFPEBMWRK-CJNGLKHVSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593355 1209716315 /nfs/dbraw/zinc/71/63/15/1209716315.db2.gz RNSCQUFPEBMWRK-CJNGLKHVSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C2)ccn1 ZINC000856593355 1209716332 /nfs/dbraw/zinc/71/63/32/1209716332.db2.gz RNSCQUFPEBMWRK-CJNGLKHVSA-N 2 1 363.462 0.831 10 0 FCAEMP CC[N@@H+](CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861570211 1209871761 /nfs/dbraw/zinc/87/17/61/1209871761.db2.gz LPYIBRJEBDIFMA-CVEARBPZSA-N 2 1 365.478 0.437 10 0 FCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861571715 1209871893 /nfs/dbraw/zinc/87/18/93/1209871893.db2.gz GUBQYHFAFHXLJU-IMJJTQAJSA-N 2 1 367.494 0.683 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000861731214 1209877824 /nfs/dbraw/zinc/87/78/24/1209877824.db2.gz BIMJSGYMCQGWQU-DOPJRALCSA-N 2 1 374.485 0.895 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000861731214 1209877827 /nfs/dbraw/zinc/87/78/27/1209877827.db2.gz BIMJSGYMCQGWQU-DOPJRALCSA-N 2 1 374.485 0.895 10 0 FCAEMP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)NC(C1CC1)C1CC1 ZINC000863549898 1209944699 /nfs/dbraw/zinc/94/46/99/1209944699.db2.gz KVEUNUTYEVLZRI-CVEARBPZSA-N 2 1 362.474 0.548 10 0 FCAEMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709109 1210003017 /nfs/dbraw/zinc/00/30/17/1210003017.db2.gz IGSBWJIIAFSPKH-UUAJXVIYSA-N 2 1 364.490 0.890 10 0 FCAEMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709109 1210003021 /nfs/dbraw/zinc/00/30/21/1210003021.db2.gz IGSBWJIIAFSPKH-UUAJXVIYSA-N 2 1 364.490 0.890 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000866710572 1210004022 /nfs/dbraw/zinc/00/40/22/1210004022.db2.gz ZGLNJKWULCFWNP-VBNZEHGJSA-N 2 1 370.409 0.150 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000866710572 1210004026 /nfs/dbraw/zinc/00/40/26/1210004026.db2.gz ZGLNJKWULCFWNP-VBNZEHGJSA-N 2 1 370.409 0.150 10 0 FCAEMP Cn1c2cc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)ccc2oc1=O ZINC000866711449 1210004111 /nfs/dbraw/zinc/00/41/11/1210004111.db2.gz LATRTLVHLFFASQ-BJJXKVORSA-N 2 1 358.398 0.498 10 0 FCAEMP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867508209 1210010000 /nfs/dbraw/zinc/01/00/00/1210010000.db2.gz ZGIJBRIJXVDMNX-DOTOQJQBSA-N 2 1 362.474 0.722 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000867550587 1210012328 /nfs/dbraw/zinc/01/23/28/1210012328.db2.gz OIGZCTKGCPGFEK-KSZLIROESA-N 2 1 362.518 0.729 10 0 FCAEMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000867550587 1210012330 /nfs/dbraw/zinc/01/23/30/1210012330.db2.gz OIGZCTKGCPGFEK-KSZLIROESA-N 2 1 362.518 0.729 10 0 FCAEMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000867550587 1210012333 /nfs/dbraw/zinc/01/23/33/1210012333.db2.gz OIGZCTKGCPGFEK-KSZLIROESA-N 2 1 362.518 0.729 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)CC[C@@H]21 ZINC000867572250 1210014145 /nfs/dbraw/zinc/01/41/45/1210014145.db2.gz PNOXYMHSESQNAK-SQNIBIBYSA-N 2 1 362.518 0.729 10 0 FCAEMP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CN1CC[NH+](C)CC1 ZINC000868228577 1210045376 /nfs/dbraw/zinc/04/53/76/1210045376.db2.gz GHBZZMBPGQCSGC-FHLIZLRMSA-N 2 1 373.501 0.439 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC[C@@H]21 ZINC000868310033 1210051858 /nfs/dbraw/zinc/05/18/58/1210051858.db2.gz QBKWOGDAQOJFQD-IFIJOSMWSA-N 2 1 357.458 0.389 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000868343568 1210054132 /nfs/dbraw/zinc/05/41/32/1210054132.db2.gz IZRDHXFLJHUELX-ZNMIVQPWSA-N 2 1 370.494 0.109 10 0 FCAEMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)CC[C@H]21 ZINC000868388049 1210059399 /nfs/dbraw/zinc/05/93/99/1210059399.db2.gz QZLNNFIBIHPLIF-ZACQAIPSSA-N 2 1 357.458 0.107 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)CC[C@H]21 ZINC000868388049 1210059403 /nfs/dbraw/zinc/05/94/03/1210059403.db2.gz QZLNNFIBIHPLIF-ZACQAIPSSA-N 2 1 357.458 0.107 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000869102173 1210083795 /nfs/dbraw/zinc/08/37/95/1210083795.db2.gz FERFVGPXYYDARA-NRXISQOPSA-N 2 1 370.494 0.421 10 0 FCAEMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000869780410 1210094214 /nfs/dbraw/zinc/09/42/14/1210094214.db2.gz JHLCVUZVVOIGDW-FXAWDEMLSA-N 2 1 361.486 0.585 10 0 FCAEMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000869780410 1210094218 /nfs/dbraw/zinc/09/42/18/1210094218.db2.gz JHLCVUZVVOIGDW-FXAWDEMLSA-N 2 1 361.486 0.585 10 0 FCAEMP CC(C)(O)C[NH+]1CC[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000869780410 1210094221 /nfs/dbraw/zinc/09/42/21/1210094221.db2.gz JHLCVUZVVOIGDW-FXAWDEMLSA-N 2 1 361.486 0.585 10 0 FCAEMP C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872193696 1210177898 /nfs/dbraw/zinc/17/78/98/1210177898.db2.gz BMXBHWMLJHUDRP-FXAWDEMLSA-N 2 1 358.486 0.645 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000872255576 1210183393 /nfs/dbraw/zinc/18/33/93/1210183393.db2.gz ZQXURRGSFLAEMD-OWCLPIDISA-N 2 1 354.414 0.839 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc2c1OCO2 ZINC000872255137 1210183779 /nfs/dbraw/zinc/18/37/79/1210183779.db2.gz QFCZIDKGHJPPPO-ZENOOKHLSA-N 2 1 361.398 0.791 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc2c1OCO2 ZINC000872255137 1210183792 /nfs/dbraw/zinc/18/37/92/1210183792.db2.gz QFCZIDKGHJPPPO-ZENOOKHLSA-N 2 1 361.398 0.791 10 0 FCAEMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926284783 1211525817 /nfs/dbraw/zinc/52/58/17/1211525817.db2.gz GQWOADBYJSTTDT-MRXNPFEDSA-N 2 1 366.506 0.143 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000926318586 1211530402 /nfs/dbraw/zinc/53/04/02/1211530402.db2.gz AVNJEYGQRMSVKR-WRQOLXDDSA-N 2 1 366.506 0.140 10 0 FCAEMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926397839 1211545720 /nfs/dbraw/zinc/54/57/20/1211545720.db2.gz GVHPELMUOFMHSU-HZPDHXFCSA-N 2 1 366.506 0.286 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCO1 ZINC000927633097 1211578002 /nfs/dbraw/zinc/57/80/02/1211578002.db2.gz LPPQREQPTOUVCB-ZWKOTPCHSA-N 2 1 368.522 0.992 10 0 FCAEMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000927809111 1211582487 /nfs/dbraw/zinc/58/24/87/1211582487.db2.gz CINIZDIEQGJRGA-ZTFGCOKTSA-N 2 1 371.485 0.634 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cn2cc[nH+]c12 ZINC000927817709 1211583207 /nfs/dbraw/zinc/58/32/07/1211583207.db2.gz BUTFNEOLFUOTTN-OAHLLOKOSA-N 2 1 371.441 0.856 10 0 FCAEMP Cc1ncccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927833389 1211584204 /nfs/dbraw/zinc/58/42/04/1211584204.db2.gz AYRWUMFAWIRSSY-IYBDPMFKSA-N 2 1 357.458 0.756 10 0 FCAEMP Cc1ncccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927833389 1211584205 /nfs/dbraw/zinc/58/42/05/1211584205.db2.gz AYRWUMFAWIRSSY-IYBDPMFKSA-N 2 1 357.458 0.756 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n(C)n1 ZINC000927834010 1211584225 /nfs/dbraw/zinc/58/42/25/1211584225.db2.gz DLFOSIJTVLXILN-GASCZTMLSA-N 2 1 360.462 0.094 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n(C)n1 ZINC000927834010 1211584227 /nfs/dbraw/zinc/58/42/27/1211584227.db2.gz DLFOSIJTVLXILN-GASCZTMLSA-N 2 1 360.462 0.094 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[NH+](C)[C@H]3C)c2)CC[N@H+]1C ZINC000928433605 1211602600 /nfs/dbraw/zinc/60/26/00/1211602600.db2.gz MVOUNWFXEWJWCJ-AZQPONJRSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)c2)CC[NH+]1C ZINC000928433605 1211602602 /nfs/dbraw/zinc/60/26/02/1211602602.db2.gz MVOUNWFXEWJWCJ-AZQPONJRSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)c2)CC[NH+]1C ZINC000928433605 1211602612 /nfs/dbraw/zinc/60/26/12/1211602612.db2.gz MVOUNWFXEWJWCJ-AZQPONJRSA-N 2 1 359.474 0.726 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929406559 1211636959 /nfs/dbraw/zinc/63/69/59/1211636959.db2.gz XQFJNTZNFUGFEP-MRXNPFEDSA-N 2 1 363.462 0.067 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000929406559 1211636960 /nfs/dbraw/zinc/63/69/60/1211636960.db2.gz XQFJNTZNFUGFEP-MRXNPFEDSA-N 2 1 363.462 0.067 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000929507549 1211643078 /nfs/dbraw/zinc/64/30/78/1211643078.db2.gz SDVALTSZRAVIAQ-BZSNNMDCSA-N 2 1 373.501 0.934 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929701744 1211656569 /nfs/dbraw/zinc/65/65/69/1211656569.db2.gz GTSWBFSGSMTXQL-JKSUJKDBSA-N 2 1 370.538 0.696 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000930804930 1211722684 /nfs/dbraw/zinc/72/26/84/1211722684.db2.gz CTHSVFWPOYQSFJ-IAGOWNOFSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CC1 ZINC000930804930 1211722686 /nfs/dbraw/zinc/72/26/86/1211722686.db2.gz CTHSVFWPOYQSFJ-IAGOWNOFSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1CC1 ZINC000930804930 1211722689 /nfs/dbraw/zinc/72/26/89/1211722689.db2.gz CTHSVFWPOYQSFJ-IAGOWNOFSA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000930806084 1211722819 /nfs/dbraw/zinc/72/28/19/1211722819.db2.gz MIEGABPREOYPBW-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C1CC1 ZINC000930806084 1211722823 /nfs/dbraw/zinc/72/28/23/1211722823.db2.gz MIEGABPREOYPBW-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CC1 ZINC000930806084 1211722826 /nfs/dbraw/zinc/72/28/26/1211722826.db2.gz MIEGABPREOYPBW-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000930829097 1211724100 /nfs/dbraw/zinc/72/41/00/1211724100.db2.gz XVACVHMBLLXBEG-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000930829097 1211724105 /nfs/dbraw/zinc/72/41/05/1211724105.db2.gz XVACVHMBLLXBEG-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000930829097 1211724107 /nfs/dbraw/zinc/72/41/07/1211724107.db2.gz XVACVHMBLLXBEG-RDJZCZTQSA-N 2 1 366.506 0.204 10 0 FCAEMP Cn1[nH]c(=O)c2c1C[NH+](C/C=C\C[N@H+]1CCc3c(=O)[nH]n(C)c3C1)CC2 ZINC000931192690 1211744743 /nfs/dbraw/zinc/74/47/43/1211744743.db2.gz JHOJHRAKIYZHBM-ARJAWSKDSA-N 2 1 358.446 0.537 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@]3(C)C[NH+](C)C[C@@]3(C)C1)c(=O)n2C ZINC000931306116 1211750431 /nfs/dbraw/zinc/75/04/31/1211750431.db2.gz CGHWBUIAGPAKAD-KDURUIRLSA-N 2 1 374.489 0.097 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@]3(C)C[NH+](C)C[C@@]3(C)C1)c(=O)n2C ZINC000931306116 1211750433 /nfs/dbraw/zinc/75/04/33/1211750433.db2.gz CGHWBUIAGPAKAD-KDURUIRLSA-N 2 1 374.489 0.097 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C1)c(=O)n2C ZINC000931306116 1211750436 /nfs/dbraw/zinc/75/04/36/1211750436.db2.gz CGHWBUIAGPAKAD-KDURUIRLSA-N 2 1 374.489 0.097 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C1)c(=O)n2C ZINC000931306116 1211750438 /nfs/dbraw/zinc/75/04/38/1211750438.db2.gz CGHWBUIAGPAKAD-KDURUIRLSA-N 2 1 374.489 0.097 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@H](C)C1 ZINC000931610457 1211763456 /nfs/dbraw/zinc/76/34/56/1211763456.db2.gz DPXLVFSGSHFJPQ-RHSMWYFYSA-N 2 1 361.490 0.953 10 0 FCAEMP C[NH+](C[C@@H](O)C1(O)CCC1)[C@H]1CC[C@H]([N@@H+](C)C[C@@H](O)C2(O)CCC2)CC1 ZINC000931737600 1211772395 /nfs/dbraw/zinc/77/23/95/1211772395.db2.gz KRBFAPBNMMMJRJ-BRSBDYLESA-N 2 1 370.534 0.713 10 0 FCAEMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000719207392 1213139685 /nfs/dbraw/zinc/13/96/85/1213139685.db2.gz VYPDMIWVMLJMEW-KRWDZBQOSA-N 2 1 357.458 0.900 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900013803 1217954987 /nfs/dbraw/zinc/95/49/87/1217954987.db2.gz RIFJSUBDCQSISZ-UYAOXDASSA-N 2 1 360.502 0.376 10 0 FCAEMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000900247655 1217974320 /nfs/dbraw/zinc/97/43/20/1217974320.db2.gz UZICVCOORNMWRZ-XLIONFOSSA-N 2 1 374.485 0.778 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000900247655 1217974325 /nfs/dbraw/zinc/97/43/25/1217974325.db2.gz UZICVCOORNMWRZ-XLIONFOSSA-N 2 1 374.485 0.778 10 0 FCAEMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900675504 1218022274 /nfs/dbraw/zinc/02/22/74/1218022274.db2.gz SCHTZCIEPWUSRZ-YLJYHZDGSA-N 2 1 374.485 0.906 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900675504 1218022280 /nfs/dbraw/zinc/02/22/80/1218022280.db2.gz SCHTZCIEPWUSRZ-YLJYHZDGSA-N 2 1 374.485 0.906 10 0 FCAEMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cn1 ZINC000900832542 1218044522 /nfs/dbraw/zinc/04/45/22/1218044522.db2.gz VWDHAQVIBAMUJQ-HZPDHXFCSA-N 2 1 362.478 0.516 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000900902798 1218051928 /nfs/dbraw/zinc/05/19/28/1218051928.db2.gz ZUOOBWPBOAQSQY-UXHICEINSA-N 2 1 361.486 0.586 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000900902798 1218051932 /nfs/dbraw/zinc/05/19/32/1218051932.db2.gz ZUOOBWPBOAQSQY-UXHICEINSA-N 2 1 361.486 0.586 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000900902798 1218051937 /nfs/dbraw/zinc/05/19/37/1218051937.db2.gz ZUOOBWPBOAQSQY-UXHICEINSA-N 2 1 361.486 0.586 10 0 FCAEMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)N1CCN(c2ncccn2)CC1 ZINC000903483710 1218423634 /nfs/dbraw/zinc/42/36/34/1218423634.db2.gz KOEAEUWCGVXIHK-INIZCTEOSA-N 2 1 358.490 0.780 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)C2 ZINC000903492669 1218426982 /nfs/dbraw/zinc/42/69/82/1218426982.db2.gz PRGVRMWEAMEQDO-KHYOSLBOSA-N 2 1 363.433 0.963 10 0 FCAEMP COC(=O)CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1=O ZINC000903507285 1218430511 /nfs/dbraw/zinc/43/05/11/1218430511.db2.gz UVTOMHWCJAVXGL-IXDOHACOSA-N 2 1 364.490 0.051 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cnn1C ZINC000903899677 1218562285 /nfs/dbraw/zinc/56/22/85/1218562285.db2.gz WGLFZWUXSFTOIX-FUHWJXTLSA-N 2 1 362.522 0.084 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N[C@@H](C)C3CC3)C2)CC[N@H+]1C ZINC001491018922 1220071474 /nfs/dbraw/zinc/07/14/74/1220071474.db2.gz SUILTEQPWACFKT-BTYMGIQYSA-N 2 1 350.507 0.868 10 0 FCAEMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)NCc1ccco1 ZINC001491018879 1220071553 /nfs/dbraw/zinc/07/15/53/1220071553.db2.gz SITBMRCACXZXHQ-WVCIDPQESA-N 2 1 362.474 0.861 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](CC(N)=O)C3)CC2)CC1 ZINC001118911292 1221843944 /nfs/dbraw/zinc/84/39/44/1221843944.db2.gz QQAXNVGCCLMTST-QGZVFWFLSA-N 2 1 366.506 0.286 10 0 FCAEMP Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001119545442 1221931070 /nfs/dbraw/zinc/93/10/70/1221931070.db2.gz XWPDAMRNJYZNEU-DOTOQJQBSA-N 2 1 359.478 0.882 10 0 FCAEMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001277659825 1226150953 /nfs/dbraw/zinc/15/09/53/1226150953.db2.gz LMVDWVAOXFYRKL-QRVBRYPASA-N 2 1 361.486 0.482 10 0 FCAEMP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001277659825 1226150955 /nfs/dbraw/zinc/15/09/55/1226150955.db2.gz LMVDWVAOXFYRKL-QRVBRYPASA-N 2 1 361.486 0.482 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000841215813 1222814336 /nfs/dbraw/zinc/81/43/36/1222814336.db2.gz BQMSFVHFBDNCLV-MAUKXSAKSA-N 2 1 373.501 0.881 10 0 FCAEMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc21 ZINC000823700700 1245320810 /nfs/dbraw/zinc/32/08/10/1245320810.db2.gz XMHSWGGLHZCQGV-ACJLOTCBSA-N 2 1 362.430 0.550 10 0 FCAEMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc21 ZINC000823700700 1245320812 /nfs/dbraw/zinc/32/08/12/1245320812.db2.gz XMHSWGGLHZCQGV-ACJLOTCBSA-N 2 1 362.430 0.550 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000849515356 1245398358 /nfs/dbraw/zinc/39/83/58/1245398358.db2.gz DBQOQWSPDNMLQE-SJORKVTESA-N 2 1 359.478 0.852 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)cn1 ZINC000849513237 1245399017 /nfs/dbraw/zinc/39/90/17/1245399017.db2.gz RAQKUCUFWWJNGZ-HZPDHXFCSA-N 2 1 359.478 0.852 10 0 FCAEMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849557193 1245400328 /nfs/dbraw/zinc/40/03/28/1245400328.db2.gz GNEHOICTHQVTSS-KURKYZTESA-N 2 1 365.522 0.928 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849538679 1245400477 /nfs/dbraw/zinc/40/04/77/1245400477.db2.gz LXVCEFLIJLGMPO-JKSUJKDBSA-N 2 1 359.478 0.571 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849538679 1245400483 /nfs/dbraw/zinc/40/04/83/1245400483.db2.gz LXVCEFLIJLGMPO-JKSUJKDBSA-N 2 1 359.478 0.571 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000849561131 1245401777 /nfs/dbraw/zinc/40/17/77/1245401777.db2.gz DMAHHFRDLLEJHW-DLBZAZTESA-N 2 1 371.489 0.538 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000849561131 1245401782 /nfs/dbraw/zinc/40/17/82/1245401782.db2.gz DMAHHFRDLLEJHW-DLBZAZTESA-N 2 1 371.489 0.538 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849563562 1245402148 /nfs/dbraw/zinc/40/21/48/1245402148.db2.gz KYRSNMWAFYVZDV-SQNIBIBYSA-N 2 1 363.506 0.371 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849563562 1245402152 /nfs/dbraw/zinc/40/21/52/1245402152.db2.gz KYRSNMWAFYVZDV-SQNIBIBYSA-N 2 1 363.506 0.371 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849579784 1245403261 /nfs/dbraw/zinc/40/32/61/1245403261.db2.gz SGLVMISGUMQMIT-YQVWRLOYSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849579784 1245403265 /nfs/dbraw/zinc/40/32/65/1245403265.db2.gz SGLVMISGUMQMIT-YQVWRLOYSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849579784 1245403268 /nfs/dbraw/zinc/40/32/68/1245403268.db2.gz SGLVMISGUMQMIT-YQVWRLOYSA-N 2 1 363.506 0.417 10 0 FCAEMP 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AXGPXFDRBKPNPQ-BZUAXINKSA-N 2 1 368.522 0.184 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001289516455 1262233980 /nfs/dbraw/zinc/23/39/80/1262233980.db2.gz LPEQVDHQJGAHAT-HUUCEWRRSA-N 2 1 366.506 0.155 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001289621350 1262273993 /nfs/dbraw/zinc/27/39/93/1262273993.db2.gz IRMTZFKIZKZRNQ-ZACQAIPSSA-N 2 1 368.522 0.277 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001289621350 1262273997 /nfs/dbraw/zinc/27/39/97/1262273997.db2.gz IRMTZFKIZKZRNQ-ZACQAIPSSA-N 2 1 368.522 0.277 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001289621350 1262274007 /nfs/dbraw/zinc/27/40/07/1262274007.db2.gz IRMTZFKIZKZRNQ-ZACQAIPSSA-N 2 1 368.522 0.277 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001290268865 1262418568 /nfs/dbraw/zinc/41/85/68/1262418568.db2.gz 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10 0 FCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@H+](CCOCCO)C[C@H]31)C2 ZINC001479171709 1263174912 /nfs/dbraw/zinc/17/49/12/1263174912.db2.gz DRLFSFMHORJRSG-LZLYRXPVSA-N 2 1 362.474 0.296 10 0 FCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001479171709 1263174915 /nfs/dbraw/zinc/17/49/15/1263174915.db2.gz DRLFSFMHORJRSG-LZLYRXPVSA-N 2 1 362.474 0.296 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001479294755 1263182601 /nfs/dbraw/zinc/18/26/01/1263182601.db2.gz HXTASKSGPAQYIB-NIFZNCRKSA-N 2 1 367.494 0.045 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001479295918 1263183076 /nfs/dbraw/zinc/18/30/76/1263183076.db2.gz YYWGTRNLFHFFNQ-VVLHAWIVSA-N 2 1 350.507 0.727 10 0 FCAEMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1c1ccccc1)[NH+](C)C ZINC001479426595 1263194772 /nfs/dbraw/zinc/19/47/72/1263194772.db2.gz SHACNWKJXAWGTA-INDMIFKZSA-N 2 1 363.502 0.918 10 0 FCAEMP CN1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001479424581 1263194815 /nfs/dbraw/zinc/19/48/15/1263194815.db2.gz ILBKUPDQUDDVSY-RCCFBDPRSA-N 2 1 358.486 0.753 10 0 FCAEMP CN1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001479424581 1263194817 /nfs/dbraw/zinc/19/48/17/1263194817.db2.gz ILBKUPDQUDDVSY-RCCFBDPRSA-N 2 1 358.486 0.753 10 0 FCAEMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001479506731 1263233066 /nfs/dbraw/zinc/23/30/66/1263233066.db2.gz MUCIFNDJZAZMGY-RYQLBKOJSA-N 2 1 363.506 0.682 10 0 FCAEMP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001479511541 1263235310 /nfs/dbraw/zinc/23/53/10/1263235310.db2.gz RUGWOWHMNMUHAE-DLBZAZTESA-N 2 1 351.495 0.681 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H](C)C(=O)NC ZINC001479536268 1263242258 /nfs/dbraw/zinc/24/22/58/1263242258.db2.gz BZMPDCHINIEBPK-IIAWOOMASA-N 2 1 354.495 0.058 10 0 FCAEMP 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C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001480765473 1263435337 /nfs/dbraw/zinc/43/53/37/1263435337.db2.gz LIUUURKQCPAFIC-JHJVBQTASA-N 2 1 366.428 0.880 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001316754896 1263458155 /nfs/dbraw/zinc/45/81/55/1263458155.db2.gz RIUYSEXGGHSXFK-FGTMMUONSA-N 2 1 364.534 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCOCC3CC3)C2)CC[N@H+]1C ZINC001484216163 1263458836 /nfs/dbraw/zinc/45/88/36/1263458836.db2.gz JOKFQSAWKVQCJW-YQVWRLOYSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCOCC3CC3)C2)CC[NH+]1C ZINC001484216163 1263458840 /nfs/dbraw/zinc/45/88/40/1263458840.db2.gz JOKFQSAWKVQCJW-YQVWRLOYSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCOCC3CC3)C2)CC[NH+]1C ZINC001484216163 1263458846 /nfs/dbraw/zinc/45/88/46/1263458846.db2.gz JOKFQSAWKVQCJW-YQVWRLOYSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001484916526 1263490831 /nfs/dbraw/zinc/49/08/31/1263490831.db2.gz URWJKMYMXLXCKJ-HUUCEWRRSA-N 2 1 351.495 0.323 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001317132278 1263502445 /nfs/dbraw/zinc/50/24/45/1263502445.db2.gz OPJJONCISFPEAN-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001317132278 1263502449 /nfs/dbraw/zinc/50/24/49/1263502449.db2.gz OPJJONCISFPEAN-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001317132278 1263502452 /nfs/dbraw/zinc/50/24/52/1263502452.db2.gz OPJJONCISFPEAN-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001317132278 1263502455 /nfs/dbraw/zinc/50/24/55/1263502455.db2.gz OPJJONCISFPEAN-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001317240447 1263504998 /nfs/dbraw/zinc/50/49/98/1263504998.db2.gz GNUSSSWFPUOWSQ-QLFBSQMISA-N 2 1 369.510 0.293 10 0 FCAEMP CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485475959 1263508557 /nfs/dbraw/zinc/50/85/57/1263508557.db2.gz GZWIZIKZZYCHKE-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485475959 1263508566 /nfs/dbraw/zinc/50/85/66/1263508566.db2.gz GZWIZIKZZYCHKE-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CNC(=O)NC(=O)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485475959 1263508574 /nfs/dbraw/zinc/50/85/74/1263508574.db2.gz GZWIZIKZZYCHKE-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CNC(=O)NC(=O)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485475959 1263508580 /nfs/dbraw/zinc/50/85/80/1263508580.db2.gz GZWIZIKZZYCHKE-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP 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CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001573011290 1270498156 /nfs/dbraw/zinc/49/81/56/1270498156.db2.gz HQECXSRIIJACQK-IKGGRYGDSA-N 2 1 368.522 0.137 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001573214246 1270681022 /nfs/dbraw/zinc/68/10/22/1270681022.db2.gz GJZPRCPFCQGCLO-QBPKDAKJSA-N 2 1 368.522 0.258 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CCCC[NH+](C)C ZINC001573265110 1270719419 /nfs/dbraw/zinc/71/94/19/1270719419.db2.gz OLKPEMDQNLYDEY-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CCCC[NH+](C)C ZINC001573265110 1270719422 /nfs/dbraw/zinc/71/94/22/1270719422.db2.gz OLKPEMDQNLYDEY-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001573377045 1270766277 /nfs/dbraw/zinc/76/62/77/1270766277.db2.gz DGCMAXBLXBYGAW-BBWFWOEESA-N 2 1 350.507 0.587 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001573374708 1270766592 /nfs/dbraw/zinc/76/65/92/1270766592.db2.gz SMZLFGKCNFNUCG-SJORKVTESA-N 2 1 361.490 0.840 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001574596603 1271398334 /nfs/dbraw/zinc/39/83/34/1271398334.db2.gz VYNRGNULMAGTDX-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001574596603 1271398340 /nfs/dbraw/zinc/39/83/40/1271398340.db2.gz VYNRGNULMAGTDX-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001574596603 1271398344 /nfs/dbraw/zinc/39/83/44/1271398344.db2.gz VYNRGNULMAGTDX-VQHPVUNQSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001574631185 1271428735 /nfs/dbraw/zinc/42/87/35/1271428735.db2.gz SDAVFWVKKGMHCL-BXWFABGCSA-N 2 1 366.506 0.156 10 0 FCAEMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001713013277 1287261127 /nfs/dbraw/zinc/26/11/27/1287261127.db2.gz RKFMMXDWSPVWDL-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001713013277 1287261128 /nfs/dbraw/zinc/26/11/28/1287261128.db2.gz RKFMMXDWSPVWDL-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCOCC1 ZINC001713013277 1287261130 /nfs/dbraw/zinc/26/11/30/1287261130.db2.gz RKFMMXDWSPVWDL-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001713130122 1287266932 /nfs/dbraw/zinc/26/69/32/1287266932.db2.gz CFWUAGVYVSRJAL-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001713130122 1287266933 /nfs/dbraw/zinc/26/69/33/1287266933.db2.gz CFWUAGVYVSRJAL-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(=O)N3CCC3)C2)CC[NH+]1C ZINC001713130122 1287266935 /nfs/dbraw/zinc/26/69/35/1287266935.db2.gz CFWUAGVYVSRJAL-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001713392451 1287276452 /nfs/dbraw/zinc/27/64/52/1287276452.db2.gz QEVVIHULHQWOIT-IXDOHACOSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001713392451 1287276457 /nfs/dbraw/zinc/27/64/57/1287276457.db2.gz QEVVIHULHQWOIT-IXDOHACOSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001713392451 1287276467 /nfs/dbraw/zinc/27/64/67/1287276467.db2.gz QEVVIHULHQWOIT-IXDOHACOSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2)CC[NH+]1C ZINC001713392451 1287276474 /nfs/dbraw/zinc/27/64/74/1287276474.db2.gz QEVVIHULHQWOIT-IXDOHACOSA-N 2 1 350.507 0.918 10 0 FCAEMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CCCNC1=O ZINC001713467215 1287280883 /nfs/dbraw/zinc/28/08/83/1287280883.db2.gz DMNZDGHLGGUJPY-SQNIBIBYSA-N 2 1 358.486 0.658 10 0 FCAEMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CCCNC1=O ZINC001713467215 1287280887 /nfs/dbraw/zinc/28/08/87/1287280887.db2.gz DMNZDGHLGGUJPY-SQNIBIBYSA-N 2 1 358.486 0.658 10 0 FCAEMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCCNC1=O ZINC001713467215 1287280892 /nfs/dbraw/zinc/28/08/92/1287280892.db2.gz DMNZDGHLGGUJPY-SQNIBIBYSA-N 2 1 358.486 0.658 10 0 FCAEMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCCNC1=O ZINC001713467215 1287280896 /nfs/dbraw/zinc/28/08/96/1287280896.db2.gz DMNZDGHLGGUJPY-SQNIBIBYSA-N 2 1 358.486 0.658 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)C[C@@H](O)COC)CC2)CC[N@H+]1C ZINC001713764264 1287296157 /nfs/dbraw/zinc/29/61/57/1287296157.db2.gz WLAOZKNZIUVKNL-FGTMMUONSA-N 2 1 355.523 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@H+](C)C[C@@H](O)COC)CC2)CC[NH+]1C ZINC001713764264 1287296160 /nfs/dbraw/zinc/29/61/60/1287296160.db2.gz WLAOZKNZIUVKNL-FGTMMUONSA-N 2 1 355.523 0.894 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@@H+](C)C[C@@H](O)COC)CC2)CC[NH+]1C ZINC001713764264 1287296162 /nfs/dbraw/zinc/29/61/62/1287296162.db2.gz WLAOZKNZIUVKNL-FGTMMUONSA-N 2 1 355.523 0.894 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001714861457 1287336228 /nfs/dbraw/zinc/33/62/28/1287336228.db2.gz BOJJVQDOXATPEP-BRWVUGGUSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001714861457 1287336231 /nfs/dbraw/zinc/33/62/31/1287336231.db2.gz BOJJVQDOXATPEP-BRWVUGGUSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001714861457 1287336235 /nfs/dbraw/zinc/33/62/35/1287336235.db2.gz BOJJVQDOXATPEP-BRWVUGGUSA-N 2 1 366.506 0.014 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001715036363 1287342247 /nfs/dbraw/zinc/34/22/47/1287342247.db2.gz DQXZVBSXQRPYRY-OWCLPIDISA-N 2 1 359.536 0.684 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001715036363 1287342252 /nfs/dbraw/zinc/34/22/52/1287342252.db2.gz DQXZVBSXQRPYRY-OWCLPIDISA-N 2 1 359.536 0.684 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCCS(C)(=O)=O)C1 ZINC001715036363 1287342257 /nfs/dbraw/zinc/34/22/57/1287342257.db2.gz DQXZVBSXQRPYRY-OWCLPIDISA-N 2 1 359.536 0.684 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCCS(C)(=O)=O)C1 ZINC001715036363 1287342259 /nfs/dbraw/zinc/34/22/59/1287342259.db2.gz DQXZVBSXQRPYRY-OWCLPIDISA-N 2 1 359.536 0.684 10 0 FCAEMP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715759242 1287361893 /nfs/dbraw/zinc/36/18/93/1287361893.db2.gz GLBICYGVPATLIG-SQNIBIBYSA-N 2 1 358.486 0.658 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)Nc2c(C)n[nH]c2C)CC[N@H+]1C ZINC001715930403 1287364985 /nfs/dbraw/zinc/36/49/85/1287364985.db2.gz RTLNIJYQABPSBC-BYCMXARLSA-N 2 1 364.494 0.790 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cccn2)[C@@H](c2ccccc2)C1 ZINC001716104058 1287373452 /nfs/dbraw/zinc/37/34/52/1287373452.db2.gz URKWXVBACWMRTD-OTWHNJEPSA-N 2 1 371.485 0.295 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCc3ccnn3C)C2)CC[N@H+]1C ZINC001716919046 1287393921 /nfs/dbraw/zinc/39/39/21/1287393921.db2.gz QQJQHTPOLDZDEL-YQVWRLOYSA-N 2 1 363.506 0.246 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001716919046 1287393927 /nfs/dbraw/zinc/39/39/27/1287393927.db2.gz QQJQHTPOLDZDEL-YQVWRLOYSA-N 2 1 363.506 0.246 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCc3ccnn3C)C2)CC[NH+]1C ZINC001716919046 1287393930 /nfs/dbraw/zinc/39/39/30/1287393930.db2.gz QQJQHTPOLDZDEL-YQVWRLOYSA-N 2 1 363.506 0.246 10 0 FCAEMP Cc1nnsc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001716905035 1287393161 /nfs/dbraw/zinc/39/31/61/1287393161.db2.gz YAJJLJLTJPJURM-ZIAGYGMSSA-N 2 1 367.519 0.942 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](OC)C3CCC3)C2)CC[N@@H+]1C ZINC001716937799 1287397736 /nfs/dbraw/zinc/39/77/36/1287397736.db2.gz PYQCOIGYHDBFCQ-BBWFWOEESA-N 2 1 353.507 0.695 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](OC)C3CCC3)C2)CC[N@H+]1C ZINC001716937799 1287397739 /nfs/dbraw/zinc/39/77/39/1287397739.db2.gz PYQCOIGYHDBFCQ-BBWFWOEESA-N 2 1 353.507 0.695 10 0 FCAEMP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001717009924 1287402146 /nfs/dbraw/zinc/40/21/46/1287402146.db2.gz LTUCYHYAKMUPBN-NQNKBUKLSA-N 2 1 350.507 0.761 10 0 FCAEMP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001717009924 1287402147 /nfs/dbraw/zinc/40/21/47/1287402147.db2.gz LTUCYHYAKMUPBN-NQNKBUKLSA-N 2 1 350.507 0.761 10 0 FCAEMP 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C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001702242396 1289904642 /nfs/dbraw/zinc/90/46/42/1289904642.db2.gz OZPLOGYAWMFDII-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001702242396 1289904650 /nfs/dbraw/zinc/90/46/50/1289904650.db2.gz OZPLOGYAWMFDII-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC001739727374 1290398585 /nfs/dbraw/zinc/39/85/85/1290398585.db2.gz NPPSGPJCWKRKOG-BRWVUGGUSA-N 2 1 362.518 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@H+]1C ZINC001739844063 1290408608 /nfs/dbraw/zinc/40/86/08/1290408608.db2.gz DSTKHFZPFJAGDW-MDZRGWNJSA-N 2 1 362.518 0.777 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001740172570 1290505689 /nfs/dbraw/zinc/50/56/89/1290505689.db2.gz PNFOMCCRAMRVGY-QBPKDAKJSA-N 2 1 352.523 0.878 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001740172570 1290505692 /nfs/dbraw/zinc/50/56/92/1290505692.db2.gz PNFOMCCRAMRVGY-QBPKDAKJSA-N 2 1 352.523 0.878 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001740172570 1290505701 /nfs/dbraw/zinc/50/57/01/1290505701.db2.gz PNFOMCCRAMRVGY-QBPKDAKJSA-N 2 1 352.523 0.878 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001628862012 1290558836 /nfs/dbraw/zinc/55/88/36/1290558836.db2.gz RBUUDHLLZHVUFW-RCCFBDPRSA-N 2 1 352.523 0.630 10 0 FCAEMP CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001750927077 1290605836 /nfs/dbraw/zinc/60/58/36/1290605836.db2.gz JNDRKIJMDBOJGV-QLFBSQMISA-N 2 1 367.494 0.286 10 0 FCAEMP CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CCCCN2CC)[C@H]1C ZINC001750927077 1290605848 /nfs/dbraw/zinc/60/58/48/1290605848.db2.gz JNDRKIJMDBOJGV-QLFBSQMISA-N 2 1 367.494 0.286 10 0 FCAEMP C[C@@H](COCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCCC1 ZINC001758017198 1290828431 /nfs/dbraw/zinc/82/84/31/1290828431.db2.gz LJITXZWGZKEWRU-ARFHVFGLSA-N 2 1 354.495 0.060 10 0 FCAEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001656369037 1291516962 /nfs/dbraw/zinc/51/69/62/1291516962.db2.gz DTRQOLFGMSGNKY-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001656840386 1291565982 /nfs/dbraw/zinc/56/59/82/1291565982.db2.gz YCJJSPXMKSGKJB-IKGGRYGDSA-N 2 1 350.507 0.729 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001662629872 1291729030 /nfs/dbraw/zinc/72/90/30/1291729030.db2.gz AIKUAQKBZCADAH-RBSFLKMASA-N 2 1 363.462 0.700 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc3nonc3c2)CC[N@H+]1C ZINC001667827767 1291944213 /nfs/dbraw/zinc/94/42/13/1291944213.db2.gz VJGPAKDRZOTQTN-JKIFEVAISA-N 2 1 361.446 0.520 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001668065359 1291954831 /nfs/dbraw/zinc/95/48/31/1291954831.db2.gz KWJSUISTHCGWON-SOUVJXGZSA-N 2 1 352.479 0.350 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CC[NH2+][C@H]2CCNC2=O)Cc2ccccc2)CC[N@H+]1C ZINC001672388360 1292078900 /nfs/dbraw/zinc/07/89/00/1292078900.db2.gz GIVCSBISQIQISG-NXHRZFHOSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001674419999 1292141657 /nfs/dbraw/zinc/14/16/57/1292141657.db2.gz NTFGIWFQBXMZHH-SIKWWSQNSA-N 2 1 370.497 0.977 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001674419999 1292141660 /nfs/dbraw/zinc/14/16/60/1292141660.db2.gz NTFGIWFQBXMZHH-SIKWWSQNSA-N 2 1 370.497 0.977 10 0 FCAEMP CCCCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674933229 1292159336 /nfs/dbraw/zinc/15/93/36/1292159336.db2.gz WEFIRSWMHCDDLT-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001674933229 1292159338 /nfs/dbraw/zinc/15/93/38/1292159338.db2.gz WEFIRSWMHCDDLT-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001674933229 1292159341 /nfs/dbraw/zinc/15/93/41/1292159341.db2.gz WEFIRSWMHCDDLT-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001674933229 1292159345 /nfs/dbraw/zinc/15/93/45/1292159345.db2.gz WEFIRSWMHCDDLT-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674933229 1292159348 /nfs/dbraw/zinc/15/93/48/1292159348.db2.gz WEFIRSWMHCDDLT-RBSFLKMASA-N 2 1 369.510 0.389 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)CCC[NH+](C)C ZINC001684957189 1292382647 /nfs/dbraw/zinc/38/26/47/1292382647.db2.gz BDIGCWOBFVWSQM-DLBZAZTESA-N 2 1 368.522 0.546 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001685088492 1292424612 /nfs/dbraw/zinc/42/46/12/1292424612.db2.gz RHKFSGNMZWHLDZ-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001685241751 1292465821 /nfs/dbraw/zinc/46/58/21/1292465821.db2.gz QRSXEYSTMXTABY-BMFZPTHFSA-N 2 1 367.469 0.977 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001685567087 1292559886 /nfs/dbraw/zinc/55/98/86/1292559886.db2.gz KDGFCILIZMNXQP-HNAYVOBHSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1C ZINC001685783608 1292633298 /nfs/dbraw/zinc/63/32/98/1292633298.db2.gz MYMYGDNPDCJRSV-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001685783608 1292633304 /nfs/dbraw/zinc/63/33/04/1292633304.db2.gz MYMYGDNPDCJRSV-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001685783608 1292633314 /nfs/dbraw/zinc/63/33/14/1292633314.db2.gz MYMYGDNPDCJRSV-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1)[NH+](C)C ZINC001686196664 1292817072 /nfs/dbraw/zinc/81/70/72/1292817072.db2.gz HHVBAUGLOVMAKM-VQHPVUNQSA-N 2 1 366.506 0.297 10 0 FCAEMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001123706159 848627357 /nfs/dbraw/zinc/62/73/57/848627357.db2.gz WIZKXTQGYPGKGU-HYVNUMGLSA-N 2 1 354.495 0.315 10 0 FCAEMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001123706159 848627360 /nfs/dbraw/zinc/62/73/60/848627360.db2.gz WIZKXTQGYPGKGU-HYVNUMGLSA-N 2 1 354.495 0.315 10 0 FCAEMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1C[NH+](C)CCN1C ZINC001123724648 848629991 /nfs/dbraw/zinc/62/99/91/848629991.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CN(C)CCN1C ZINC001123724648 848630004 /nfs/dbraw/zinc/63/00/04/848630004.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CN(C)CCN1C ZINC001123724648 848630009 /nfs/dbraw/zinc/63/00/09/848630009.db2.gz YBVRPKWOXVFWQH-UAGQMJEPSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@H]1C[NH+](C)CCN1C ZINC001123724650 848630128 /nfs/dbraw/zinc/63/01/28/848630128.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CN(C)CCN1C ZINC001123724650 848630150 /nfs/dbraw/zinc/63/01/50/848630150.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@H]1CN(C)CCN1C ZINC001123724650 848630158 /nfs/dbraw/zinc/63/01/58/848630158.db2.gz YBVRPKWOXVFWQH-USXIJHARSA-N 2 1 353.511 0.173 10 0 FCAEMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001136761162 849240765 /nfs/dbraw/zinc/24/07/65/849240765.db2.gz DFTJOAQKRWKTQE-AWEZNQCLSA-N 2 1 371.576 0.701 10 0 FCAEMP COCC[N@@H+](CCc1cn(CC(=O)OC)nn1)CC1CC[NH+](C)CC1 ZINC001196782484 853012629 /nfs/dbraw/zinc/01/26/29/853012629.db2.gz RNXCXMIPADZUNH-UHFFFAOYSA-N 2 1 353.467 0.284 10 0 FCAEMP CCO[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001263973706 859262988 /nfs/dbraw/zinc/26/29/88/859262988.db2.gz DCSOKKSDRFCANO-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC001264067455 859297732 /nfs/dbraw/zinc/29/77/32/859297732.db2.gz DSILNFQJMNAZGK-HRCADAONSA-N 2 1 371.547 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001264067455 859297739 /nfs/dbraw/zinc/29/77/39/859297739.db2.gz DSILNFQJMNAZGK-HRCADAONSA-N 2 1 371.547 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001264421687 859352381 /nfs/dbraw/zinc/35/23/81/859352381.db2.gz PZFLJPAZRQNPKN-LUKYLMHMSA-N 2 1 352.523 0.973 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001264625426 859405402 /nfs/dbraw/zinc/40/54/02/859405402.db2.gz DKHNSUINNFRDTE-OWCLPIDISA-N 2 1 371.547 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001264625426 859405408 /nfs/dbraw/zinc/40/54/08/859405408.db2.gz DKHNSUINNFRDTE-OWCLPIDISA-N 2 1 371.547 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001264625426 859405412 /nfs/dbraw/zinc/40/54/12/859405412.db2.gz DKHNSUINNFRDTE-OWCLPIDISA-N 2 1 371.547 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001264625426 859405416 /nfs/dbraw/zinc/40/54/16/859405416.db2.gz DKHNSUINNFRDTE-OWCLPIDISA-N 2 1 371.547 0.732 10 0 FCAEMP CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264727676 859441925 /nfs/dbraw/zinc/44/19/25/859441925.db2.gz UGPQRDRBDPXCEK-XHSDSOJGSA-N 2 1 350.507 0.966 10 0 FCAEMP CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264727676 859441928 /nfs/dbraw/zinc/44/19/28/859441928.db2.gz UGPQRDRBDPXCEK-XHSDSOJGSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCCN2CCCC2=O)C2CC2)CC[N@H+]1C ZINC001265356399 859459187 /nfs/dbraw/zinc/45/91/87/859459187.db2.gz MAOOZIWPDUBEHJ-DJIMGWMZSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(=O)c(OC)co2)CC[N@H+]1C ZINC001265777653 859465965 /nfs/dbraw/zinc/46/59/65/859465965.db2.gz RMMWCNQSUDNBMQ-AEGPPILISA-N 2 1 351.447 0.973 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001266749350 859490124 /nfs/dbraw/zinc/49/01/24/859490124.db2.gz HNYFPZJLFGZEOC-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001266749350 859490127 /nfs/dbraw/zinc/49/01/27/859490127.db2.gz HNYFPZJLFGZEOC-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001266749350 859490132 /nfs/dbraw/zinc/49/01/32/859490132.db2.gz HNYFPZJLFGZEOC-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001266749350 859490135 /nfs/dbraw/zinc/49/01/35/859490135.db2.gz HNYFPZJLFGZEOC-BZUAXINKSA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CS(C)(=O)=O ZINC001266901102 859492489 /nfs/dbraw/zinc/49/24/89/859492489.db2.gz PLAKUEGFOCXTNN-RCZWDNKTSA-N 2 1 357.520 0.054 10 0 FCAEMP C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CS(C)(=O)=O ZINC001266901102 859492493 /nfs/dbraw/zinc/49/24/93/859492493.db2.gz PLAKUEGFOCXTNN-RCZWDNKTSA-N 2 1 357.520 0.054 10 0 FCAEMP C[C@@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CS(C)(=O)=O ZINC001266901102 859492500 /nfs/dbraw/zinc/49/25/00/859492500.db2.gz PLAKUEGFOCXTNN-RCZWDNKTSA-N 2 1 357.520 0.054 10 0 FCAEMP C[C@@H](C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CS(C)(=O)=O ZINC001266901102 859492506 /nfs/dbraw/zinc/49/25/06/859492506.db2.gz PLAKUEGFOCXTNN-RCZWDNKTSA-N 2 1 357.520 0.054 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267626267 859512032 /nfs/dbraw/zinc/51/20/32/859512032.db2.gz RKYPCMZTRJUULH-HYVNUMGLSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267626267 859512036 /nfs/dbraw/zinc/51/20/36/859512036.db2.gz RKYPCMZTRJUULH-HYVNUMGLSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267626267 859512038 /nfs/dbraw/zinc/51/20/38/859512038.db2.gz RKYPCMZTRJUULH-HYVNUMGLSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]CCS(C)(=O)=O)C2CC2)CC[N@H+]1C ZINC001267854298 859518805 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LLXNMQWTPVWELL-RTBURBONSA-N 2 1 361.486 0.457 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185130653 209171889 /nfs/dbraw/zinc/17/18/89/209171889.db2.gz LLXNMQWTPVWELL-RTBURBONSA-N 2 1 361.486 0.457 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185130653 209171890 /nfs/dbraw/zinc/17/18/90/209171890.db2.gz LLXNMQWTPVWELL-RTBURBONSA-N 2 1 361.486 0.457 10 0 FCAEMP C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000375177406 217226371 /nfs/dbraw/zinc/22/63/71/217226371.db2.gz BSBYZJVWATXRTO-ZMSDIMECSA-N 2 1 370.538 0.612 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(C)(C)O)C1)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000931622601 674123341 /nfs/dbraw/zinc/12/33/41/674123341.db2.gz PUUASKLNKLJMMJ-OWCLPIDISA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(C)(C)O)C1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000931622601 674123346 /nfs/dbraw/zinc/12/33/46/674123346.db2.gz PUUASKLNKLJMMJ-OWCLPIDISA-N 2 1 355.523 0.677 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[C@H]1O ZINC000375749022 217307283 /nfs/dbraw/zinc/30/72/83/217307283.db2.gz AYHYJNHGQPNUCO-GUDVDZBRSA-N 2 1 361.486 0.849 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419158763 246023518 /nfs/dbraw/zinc/02/35/18/246023518.db2.gz YEUOWYVIZBPGEL-GDBMZVCRSA-N 2 1 362.474 0.625 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136100 246012071 /nfs/dbraw/zinc/01/20/71/246012071.db2.gz OINHVPGTXVIKIZ-BPQIPLTHSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212791 246056686 /nfs/dbraw/zinc/05/66/86/246056686.db2.gz VFTPTWXSAOMYDC-KBAYOESNSA-N 2 1 358.486 0.881 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CCC(F)(F)F ZINC000419212648 246057996 /nfs/dbraw/zinc/05/79/96/246057996.db2.gz VCZRTWMBRHEJRO-VXGBXAGGSA-N 2 1 352.401 0.491 10 0 FCAEMP 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0.905 10 0 FCAEMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424552318 247262595 /nfs/dbraw/zinc/26/25/95/247262595.db2.gz XMSIFTUHWZHJMN-GBESFXJTSA-N 2 1 370.497 0.978 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000425381332 247327745 /nfs/dbraw/zinc/32/77/45/247327745.db2.gz FXJJKXNUCURZOK-HZPDHXFCSA-N 2 1 368.522 0.497 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000425381332 247327748 /nfs/dbraw/zinc/32/77/48/247327748.db2.gz FXJJKXNUCURZOK-HZPDHXFCSA-N 2 1 368.522 0.497 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@H](C)C1 ZINC000425384632 247329977 /nfs/dbraw/zinc/32/99/77/247329977.db2.gz KBHHPSIWYRDEFR-LTIDMASMSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@H](C)C1 ZINC000425384632 247329982 /nfs/dbraw/zinc/32/99/82/247329982.db2.gz KBHHPSIWYRDEFR-LTIDMASMSA-N 2 1 350.507 0.728 10 0 FCAEMP 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ZINC000481878734 250369818 /nfs/dbraw/zinc/36/98/18/250369818.db2.gz ICCUHYLYLOARIP-YESZJQIVSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481878734 250369821 /nfs/dbraw/zinc/36/98/21/250369821.db2.gz ICCUHYLYLOARIP-YESZJQIVSA-N 2 1 368.522 0.450 10 0 FCAEMP C[N@@H+](Cc1nc(N)nc(N)n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127964 208215634 /nfs/dbraw/zinc/21/56/34/208215634.db2.gz BSNJZVYAZANBDR-MRXNPFEDSA-N 2 1 371.489 0.913 10 0 FCAEMP C[N@H+](Cc1nc(N)nc(N)n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127964 208215639 /nfs/dbraw/zinc/21/56/39/208215639.db2.gz BSNJZVYAZANBDR-MRXNPFEDSA-N 2 1 371.489 0.913 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC000115704309 208323694 /nfs/dbraw/zinc/32/36/94/208323694.db2.gz SOBRMKWOQNRGAT-ZACQAIPSSA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960960 229271088 /nfs/dbraw/zinc/27/10/88/229271088.db2.gz KEBREDMHMCPIPR-BBWFWOEESA-N 2 1 356.511 0.848 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960960 229271090 /nfs/dbraw/zinc/27/10/90/229271090.db2.gz KEBREDMHMCPIPR-BBWFWOEESA-N 2 1 356.511 0.848 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960960 229271093 /nfs/dbraw/zinc/27/10/93/229271093.db2.gz KEBREDMHMCPIPR-BBWFWOEESA-N 2 1 356.511 0.848 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194960960 229271096 /nfs/dbraw/zinc/27/10/96/229271096.db2.gz KEBREDMHMCPIPR-BBWFWOEESA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CC1(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)COC1 ZINC000247184099 229279765 /nfs/dbraw/zinc/27/97/65/229279765.db2.gz JLJZLTCDNRCMMJ-FPCVCCKLSA-N 2 1 366.506 0.175 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC1(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)COC1 ZINC000247184099 229279768 /nfs/dbraw/zinc/27/97/68/229279768.db2.gz JLJZLTCDNRCMMJ-FPCVCCKLSA-N 2 1 366.506 0.175 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC1(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)COC1 ZINC000247184099 229279770 /nfs/dbraw/zinc/27/97/70/229279770.db2.gz JLJZLTCDNRCMMJ-FPCVCCKLSA-N 2 1 366.506 0.175 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000410497553 230103704 /nfs/dbraw/zinc/10/37/04/230103704.db2.gz KCNQCWHYJTXNMS-KRWDZBQOSA-N 2 1 371.485 0.734 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000410497553 230103709 /nfs/dbraw/zinc/10/37/09/230103709.db2.gz KCNQCWHYJTXNMS-KRWDZBQOSA-N 2 1 371.485 0.734 10 0 FCAEMP C[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000562793848 491189522 /nfs/dbraw/zinc/18/95/22/491189522.db2.gz LNYUISUYYUDALZ-KRWDZBQOSA-N 2 1 373.501 0.581 10 0 FCAEMP CN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562816605 491191694 /nfs/dbraw/zinc/19/16/94/491191694.db2.gz ZSTPQBZIUTVWEI-KBPBESRZSA-N 2 1 363.428 0.701 10 0 FCAEMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069038016 488370461 /nfs/dbraw/zinc/37/04/61/488370461.db2.gz APKSRRGKROLWDC-OAHLLOKOSA-N 2 1 353.511 0.713 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069038016 488370462 /nfs/dbraw/zinc/37/04/62/488370462.db2.gz APKSRRGKROLWDC-OAHLLOKOSA-N 2 1 353.511 0.713 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000074367036 488391966 /nfs/dbraw/zinc/39/19/66/488391966.db2.gz ITXPZZUQHNWEMF-CVEARBPZSA-N 2 1 353.511 0.665 10 0 FCAEMP CC[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184807952 488397493 /nfs/dbraw/zinc/39/74/93/488397493.db2.gz FKVJPYJOQGVVMC-AEFFLSMTSA-N 2 1 369.554 0.499 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000192799396 488424742 /nfs/dbraw/zinc/42/47/42/488424742.db2.gz VVDTVJQMRBZJIF-DLBZAZTESA-N 2 1 356.511 0.489 10 0 FCAEMP CC[C@@H]1CN(CCN2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)CC[N@H+]1C[C@H](C)O ZINC000246650513 488474664 /nfs/dbraw/zinc/47/46/64/488474664.db2.gz BNAKOYBRIZAAKQ-LWYYNNOASA-N 2 1 370.582 0.540 10 0 FCAEMP CC[C@@H]1CN(CCN2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CC[NH+]1C[C@H](C)O ZINC000246650513 488474665 /nfs/dbraw/zinc/47/46/65/488474665.db2.gz BNAKOYBRIZAAKQ-LWYYNNOASA-N 2 1 370.582 0.540 10 0 FCAEMP CC[C@@H]1CN(CCN2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)CC[NH+]1C[C@H](C)O ZINC000246650513 488474667 /nfs/dbraw/zinc/47/46/67/488474667.db2.gz BNAKOYBRIZAAKQ-LWYYNNOASA-N 2 1 370.582 0.540 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000246739203 488475329 /nfs/dbraw/zinc/47/53/29/488475329.db2.gz YGWVVACCIFIFSI-DOTOQJQBSA-N 2 1 361.552 0.683 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000247084519 488481922 /nfs/dbraw/zinc/48/19/22/488481922.db2.gz PKTPLOIBMVUXMH-FZKCQIBNSA-N 2 1 354.495 0.175 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCOCC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000247084519 488481923 /nfs/dbraw/zinc/48/19/23/488481923.db2.gz PKTPLOIBMVUXMH-FZKCQIBNSA-N 2 1 354.495 0.175 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000247084519 488481924 /nfs/dbraw/zinc/48/19/24/488481924.db2.gz PKTPLOIBMVUXMH-FZKCQIBNSA-N 2 1 354.495 0.175 10 0 FCAEMP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CCN1CCOC ZINC000247197878 488482512 /nfs/dbraw/zinc/48/25/12/488482512.db2.gz SVLKQWBUMWMKOF-YESZJQIVSA-N 2 1 356.511 0.848 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)c(=O)n2C ZINC000247350683 488484967 /nfs/dbraw/zinc/48/49/67/488484967.db2.gz YCHPXVWVKWHJLF-LSDHHAIUSA-N 2 1 374.489 0.240 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)c(=O)n2C ZINC000247350683 488484969 /nfs/dbraw/zinc/48/49/69/488484969.db2.gz YCHPXVWVKWHJLF-LSDHHAIUSA-N 2 1 374.489 0.240 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)c(=O)n2C ZINC000247350683 488484971 /nfs/dbraw/zinc/48/49/71/488484971.db2.gz YCHPXVWVKWHJLF-LSDHHAIUSA-N 2 1 374.489 0.240 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249548050 488511596 /nfs/dbraw/zinc/51/15/96/488511596.db2.gz GVUCBKOTNCIHNY-HBFSDRIKSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249548050 488511598 /nfs/dbraw/zinc/51/15/98/488511598.db2.gz GVUCBKOTNCIHNY-HBFSDRIKSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000249548050 488511599 /nfs/dbraw/zinc/51/15/99/488511599.db2.gz GVUCBKOTNCIHNY-HBFSDRIKSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000249548050 488511600 /nfs/dbraw/zinc/51/16/00/488511600.db2.gz GVUCBKOTNCIHNY-HBFSDRIKSA-N 2 1 374.529 0.764 10 0 FCAEMP CC[NH+]1CCC(NC(=O)CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000109752903 488523863 /nfs/dbraw/zinc/52/38/63/488523863.db2.gz LDAKZMKOMWXRFA-IBGZPJMESA-N 2 1 365.566 0.689 10 0 FCAEMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000261618369 488527518 /nfs/dbraw/zinc/52/75/18/488527518.db2.gz FUGFUNLTBPERBS-UKRRQHHQSA-N 2 1 350.438 0.790 10 0 FCAEMP CNS(=O)(=O)CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000111226020 488528596 /nfs/dbraw/zinc/52/85/96/488528596.db2.gz BTFYMQVHXXZEFD-UHFFFAOYSA-N 2 1 368.547 0.675 10 0 FCAEMP CNS(=O)(=O)CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000111226020 488528598 /nfs/dbraw/zinc/52/85/98/488528598.db2.gz BTFYMQVHXXZEFD-UHFFFAOYSA-N 2 1 368.547 0.675 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000111812440 488531191 /nfs/dbraw/zinc/53/11/91/488531191.db2.gz LSQPFPIDYLVCBK-MSOLQXFVSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000111812440 488531193 /nfs/dbraw/zinc/53/11/93/488531193.db2.gz LSQPFPIDYLVCBK-MSOLQXFVSA-N 2 1 369.554 0.668 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000111812440 488531195 /nfs/dbraw/zinc/53/11/95/488531195.db2.gz LSQPFPIDYLVCBK-MSOLQXFVSA-N 2 1 369.554 0.668 10 0 FCAEMP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261841648 488538172 /nfs/dbraw/zinc/53/81/72/488538172.db2.gz ALVDHGXGHXDKSO-BBWFWOEESA-N 2 1 357.520 0.690 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261908208 488541336 /nfs/dbraw/zinc/54/13/36/488541336.db2.gz SQFOOJOBSUJFNE-HNNXBMFYSA-N 2 1 360.458 0.830 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000261942005 488543097 /nfs/dbraw/zinc/54/30/97/488543097.db2.gz NQOBJJOXXYXDAT-KRWDZBQOSA-N 2 1 362.518 0.779 10 0 FCAEMP CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261943255 488543184 /nfs/dbraw/zinc/54/31/84/488543184.db2.gz NEGOGDFJUIMGAU-KZNAEPCWSA-N 2 1 352.523 0.724 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000262389315 488567875 /nfs/dbraw/zinc/56/78/75/488567875.db2.gz MNRRKGQCWRDTQN-OKZBNKHCSA-N 2 1 352.523 0.628 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000262389314 488567897 /nfs/dbraw/zinc/56/78/97/488567897.db2.gz MNRRKGQCWRDTQN-BZSNNMDCSA-N 2 1 352.523 0.628 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183033 488583425 /nfs/dbraw/zinc/58/34/25/488583425.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 3 1 354.539 0.874 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000123183033 488583427 /nfs/dbraw/zinc/58/34/27/488583427.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 2 1 354.539 0.874 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000123183033 488583430 /nfs/dbraw/zinc/58/34/30/488583430.db2.gz SHEOMPXMYJICCX-RCCFBDPRSA-N 2 1 354.539 0.874 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263738779 488623148 /nfs/dbraw/zinc/62/31/48/488623148.db2.gz NYAJPPDOIVGRAM-SFHVURJKSA-N 3 1 360.506 0.987 10 0 FCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000263738779 488623150 /nfs/dbraw/zinc/62/31/50/488623150.db2.gz NYAJPPDOIVGRAM-SFHVURJKSA-N 2 1 360.506 0.987 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000263738779 488623152 /nfs/dbraw/zinc/62/31/52/488623152.db2.gz NYAJPPDOIVGRAM-SFHVURJKSA-N 2 1 360.506 0.987 10 0 FCAEMP Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1 ZINC000136843909 488679136 /nfs/dbraw/zinc/67/91/36/488679136.db2.gz JSDOLHWVYCYREN-UHFFFAOYSA-N 2 1 374.493 0.918 10 0 FCAEMP Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1 ZINC000136843909 488679137 /nfs/dbraw/zinc/67/91/37/488679137.db2.gz JSDOLHWVYCYREN-UHFFFAOYSA-N 2 1 374.493 0.918 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)c(=O)n2C ZINC000150752188 488699768 /nfs/dbraw/zinc/69/97/68/488699768.db2.gz GEJOJHDSPUAIQS-OAHLLOKOSA-N 2 1 374.489 0.242 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)c(=O)n2C ZINC000150752188 488699771 /nfs/dbraw/zinc/69/97/71/488699771.db2.gz GEJOJHDSPUAIQS-OAHLLOKOSA-N 2 1 374.489 0.242 10 0 FCAEMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)COCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155400085 488755110 /nfs/dbraw/zinc/75/51/10/488755110.db2.gz JCHZWHGFACKJJC-GEEKYZPCSA-N 2 1 354.495 0.105 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000170808626 488816400 /nfs/dbraw/zinc/81/64/00/488816400.db2.gz HKXLICMIWUPQBS-QGZVFWFLSA-N 2 1 363.506 0.859 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000170808626 488816401 /nfs/dbraw/zinc/81/64/01/488816401.db2.gz HKXLICMIWUPQBS-QGZVFWFLSA-N 2 1 363.506 0.859 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCC[NH+]1CCC(O)CC1 ZINC000172344405 488833513 /nfs/dbraw/zinc/83/35/13/488833513.db2.gz ZVRMYOLOVGIYHA-UHFFFAOYSA-N 2 1 374.529 0.767 10 0 FCAEMP C(CC[N@H+]1CC[C@H](N2CCOCC2)C1)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000173989371 488846874 /nfs/dbraw/zinc/84/68/74/488846874.db2.gz RFMBJBFJSZZTKC-PMACEKPBSA-N 2 1 366.550 0.580 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000175749414 488855433 /nfs/dbraw/zinc/85/54/33/488855433.db2.gz XHQVEMZGGBLTPL-WMZOPIPTSA-N 2 1 368.522 0.849 10 0 FCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000182053674 488863960 /nfs/dbraw/zinc/86/39/60/488863960.db2.gz LDPIRHFZNKRVNE-QGZVFWFLSA-N 2 1 355.527 0.111 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000365430774 489075268 /nfs/dbraw/zinc/07/52/68/489075268.db2.gz PQMJTXPSQKQKBT-UHFFFAOYSA-N 2 1 351.495 0.467 10 0 FCAEMP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000365711372 489102989 /nfs/dbraw/zinc/10/29/89/489102989.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 1 366.502 0.968 10 0 FCAEMP COC[C@H](C)OC[C@H](O)CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365711372 489102992 /nfs/dbraw/zinc/10/29/92/489102992.db2.gz KRGXZYPWAFAWDV-DFQSSKMNSA-N 2 1 366.502 0.968 10 0 FCAEMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000366499945 489189310 /nfs/dbraw/zinc/18/93/10/489189310.db2.gz ZKOUUXDHKXPPAN-IBGZPJMESA-N 2 1 358.490 0.543 10 0 FCAEMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000366499945 489189313 /nfs/dbraw/zinc/18/93/13/489189313.db2.gz ZKOUUXDHKXPPAN-IBGZPJMESA-N 2 1 358.490 0.543 10 0 FCAEMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000366499945 489189317 /nfs/dbraw/zinc/18/93/17/489189317.db2.gz ZKOUUXDHKXPPAN-IBGZPJMESA-N 2 1 358.490 0.543 10 0 FCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000282999759 489205116 /nfs/dbraw/zinc/20/51/16/489205116.db2.gz AMOGXWBYGUONIC-QRVBRYPASA-N 2 1 372.513 0.971 10 0 FCAEMP COC[C@](C)(CCO)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000361764119 489365196 /nfs/dbraw/zinc/36/51/96/489365196.db2.gz RXPHLSCQRSLBIP-SFHVURJKSA-N 2 1 371.522 0.515 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)cn2)CC1 ZINC000362333825 489383428 /nfs/dbraw/zinc/38/34/28/489383428.db2.gz DYUOTCRCYHJLQG-DLBZAZTESA-N 2 1 358.490 0.719 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)cn2)CC1 ZINC000362333825 489383430 /nfs/dbraw/zinc/38/34/30/489383430.db2.gz DYUOTCRCYHJLQG-DLBZAZTESA-N 2 1 358.490 0.719 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000371432395 489484389 /nfs/dbraw/zinc/48/43/89/489484389.db2.gz ROTOHBQLDBIIIK-GOSISDBHSA-N 2 1 352.523 0.582 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000371432395 489484390 /nfs/dbraw/zinc/48/43/90/489484390.db2.gz ROTOHBQLDBIIIK-GOSISDBHSA-N 2 1 352.523 0.582 10 0 FCAEMP CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000451726008 489519445 /nfs/dbraw/zinc/51/94/45/489519445.db2.gz QBMNZUSXOTWPKH-MSOLQXFVSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1C[NH+](CC)CCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000451726008 489519447 /nfs/dbraw/zinc/51/94/47/489519447.db2.gz QBMNZUSXOTWPKH-MSOLQXFVSA-N 2 1 354.539 0.876 10 0 FCAEMP CC[C@@H]1C[NH+](CC)CCN1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451726008 489519449 /nfs/dbraw/zinc/51/94/49/489519449.db2.gz QBMNZUSXOTWPKH-MSOLQXFVSA-N 2 1 354.539 0.876 10 0 FCAEMP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415603819 489535573 /nfs/dbraw/zinc/53/55/73/489535573.db2.gz UXRXXAZXTMXPMK-SECBINFHSA-N 2 1 357.252 0.913 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427305688 489601949 /nfs/dbraw/zinc/60/19/49/489601949.db2.gz WMOLIUXDWVSWDB-UHFFFAOYSA-N 2 1 374.489 0.857 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416958113 489636231 /nfs/dbraw/zinc/63/62/31/489636231.db2.gz SWQPFYPTAXXAGK-HOTGVXAUSA-N 2 1 361.494 0.286 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962890 489636525 /nfs/dbraw/zinc/63/65/25/489636525.db2.gz YTLDDVWWJNJEIC-HZPDHXFCSA-N 2 1 361.494 0.286 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417046457 489639768 /nfs/dbraw/zinc/63/97/68/489639768.db2.gz BBYAJRBQMYRMOF-CYBMUJFWSA-N 2 1 361.437 0.273 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)N(CC[NH3+])CCO)CC[N@H+]2C2CC2)c1 ZINC000417985752 489674079 /nfs/dbraw/zinc/67/40/79/489674079.db2.gz HMZNVIWJJDKSRI-ROUUACIJSA-N 2 1 362.474 0.936 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000418020651 489675945 /nfs/dbraw/zinc/67/59/45/489675945.db2.gz GTPHGZVHUGIIDX-INIZCTEOSA-N 2 1 351.495 0.668 10 0 FCAEMP CC[NH+](CC)CCOCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418020768 489676088 /nfs/dbraw/zinc/67/60/88/489676088.db2.gz NVICDBIYVUGYTD-UHFFFAOYSA-N 2 1 369.554 0.860 10 0 FCAEMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)[C@@H](C)C1 ZINC000458396944 489681390 /nfs/dbraw/zinc/68/13/90/489681390.db2.gz DLCJHQDAJBKTSW-KSZLIROESA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C[C@H]2C)[C@@H](C)C1 ZINC000458396944 489681392 /nfs/dbraw/zinc/68/13/92/489681392.db2.gz DLCJHQDAJBKTSW-KSZLIROESA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](CCO)C[C@H]2C)[C@@H](C)C1 ZINC000458396944 489681394 /nfs/dbraw/zinc/68/13/94/489681394.db2.gz DLCJHQDAJBKTSW-KSZLIROESA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)[C@@H](C)C1 ZINC000458396944 489681396 /nfs/dbraw/zinc/68/13/96/489681396.db2.gz DLCJHQDAJBKTSW-KSZLIROESA-N 2 1 370.538 0.831 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C[NH+]1CCN(C)CC1 ZINC000458434417 489683777 /nfs/dbraw/zinc/68/37/77/489683777.db2.gz JMCPGHVJFCTAHV-IRXDYDNUSA-N 2 1 355.527 0.016 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)CN1CC[NH+](C)CC1 ZINC000458434417 489683778 /nfs/dbraw/zinc/68/37/78/489683778.db2.gz JMCPGHVJFCTAHV-IRXDYDNUSA-N 2 1 355.527 0.016 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)CN1CC[NH+](C)CC1 ZINC000458434417 489683779 /nfs/dbraw/zinc/68/37/79/489683779.db2.gz JMCPGHVJFCTAHV-IRXDYDNUSA-N 2 1 355.527 0.016 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000458542990 489688089 /nfs/dbraw/zinc/68/80/89/489688089.db2.gz CFBKGFRWAVJUSX-KSZLIROESA-N 2 1 368.522 0.510 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000418810993 489733966 /nfs/dbraw/zinc/73/39/66/489733966.db2.gz HRUOSUWIWRSUGW-PXNSSMCTSA-N 2 1 358.486 0.965 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)n1C ZINC000418856298 489759091 /nfs/dbraw/zinc/75/90/91/489759091.db2.gz OVHAAKKXUIOSAF-UHFFFAOYSA-N 2 1 350.467 0.270 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000418876675 489771414 /nfs/dbraw/zinc/77/14/14/489771414.db2.gz ZKHCJWICGHAHQL-SFHVURJKSA-N 2 1 373.501 0.793 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418881057 489773209 /nfs/dbraw/zinc/77/32/09/489773209.db2.gz QNSNXMFZMGPJPQ-FSPWUOQZSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418881057 489773215 /nfs/dbraw/zinc/77/32/15/489773215.db2.gz QNSNXMFZMGPJPQ-FSPWUOQZSA-N 2 1 374.485 0.943 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000418918326 489791453 /nfs/dbraw/zinc/79/14/53/489791453.db2.gz VJNZUEJKUMWDAA-UHFFFAOYSA-N 2 1 360.458 0.133 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)C1 ZINC000419035162 489827246 /nfs/dbraw/zinc/82/72/46/489827246.db2.gz FLQSPWJTIVKKAJ-WCXIOVBPSA-N 2 1 368.522 0.354 10 0 FCAEMP COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419099694 489855386 /nfs/dbraw/zinc/85/53/86/489855386.db2.gz IHVYDBNAQBDOJC-MRXNPFEDSA-N 2 1 360.458 0.379 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419099694 489855393 /nfs/dbraw/zinc/85/53/93/489855393.db2.gz IHVYDBNAQBDOJC-MRXNPFEDSA-N 2 1 360.458 0.379 10 0 FCAEMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419990613 489874849 /nfs/dbraw/zinc/87/48/49/489874849.db2.gz CQOXCKWOCOVHFE-OTWHNJEPSA-N 2 1 370.497 0.835 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564081805 491287389 /nfs/dbraw/zinc/28/73/89/491287389.db2.gz JLHZVGISFXHGBM-HXUWFJFHSA-N 2 1 371.529 0.310 10 0 FCAEMP CN(C(=O)C(=O)NCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420141070 489927880 /nfs/dbraw/zinc/92/78/80/489927880.db2.gz RFDWSSCSKYZZSE-SFHVURJKSA-N 2 1 356.470 0.755 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000377683344 489941233 /nfs/dbraw/zinc/94/12/33/489941233.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 2 1 367.538 0.565 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377683344 489941236 /nfs/dbraw/zinc/94/12/36/489941236.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 2 1 367.538 0.565 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377683344 489941238 /nfs/dbraw/zinc/94/12/38/489941238.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 2 1 367.538 0.565 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377683344 489941240 /nfs/dbraw/zinc/94/12/40/489941240.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 2 1 367.538 0.565 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377683344 489941242 /nfs/dbraw/zinc/94/12/42/489941242.db2.gz XYPYIBSXVKQWKT-FUHWJXTLSA-N 2 1 367.538 0.565 10 0 FCAEMP CN(C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420190854 489946840 /nfs/dbraw/zinc/94/68/40/489946840.db2.gz PQQDNPFCHDZKDZ-KURKYZTESA-N 2 1 358.486 0.963 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420202225 489950482 /nfs/dbraw/zinc/95/04/82/489950482.db2.gz OUSRFTPWODTYKN-ITNKIWFMSA-N 2 1 362.518 0.857 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000556108343 491294917 /nfs/dbraw/zinc/29/49/17/491294917.db2.gz ONSLYFOPKVOLKO-HOTGVXAUSA-N 2 1 354.495 0.204 10 0 FCAEMP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000420969088 490035505 /nfs/dbraw/zinc/03/55/05/490035505.db2.gz DNNIVRVMALJMFW-GOSISDBHSA-N 2 1 358.486 0.967 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000520237026 490120314 /nfs/dbraw/zinc/12/03/14/490120314.db2.gz NEOXCJCDXBRLBZ-UHFFFAOYSA-N 2 1 351.495 0.419 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000465884191 490148547 /nfs/dbraw/zinc/14/85/47/490148547.db2.gz FISSOFCPYYEDAP-HOCLYGCPSA-N 2 1 353.511 0.663 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000465884191 490148552 /nfs/dbraw/zinc/14/85/52/490148552.db2.gz FISSOFCPYYEDAP-HOCLYGCPSA-N 2 1 353.511 0.663 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000465957513 490157356 /nfs/dbraw/zinc/15/73/56/490157356.db2.gz RMAPYXFCFLOARP-OAGGEKHMSA-N 2 1 353.511 0.698 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000465957513 490157364 /nfs/dbraw/zinc/15/73/64/490157364.db2.gz RMAPYXFCFLOARP-OAGGEKHMSA-N 2 1 353.511 0.698 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000465957513 490157372 /nfs/dbraw/zinc/15/73/72/490157372.db2.gz RMAPYXFCFLOARP-OAGGEKHMSA-N 2 1 353.511 0.698 10 0 FCAEMP COc1cccc([C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000392932361 490157565 /nfs/dbraw/zinc/15/75/65/490157565.db2.gz CJOQFBMLZLOPID-JKSUJKDBSA-N 2 1 357.476 0.206 10 0 FCAEMP Cc1nc2cc(NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3CCO)ccc2n1C ZINC000571376550 491303680 /nfs/dbraw/zinc/30/36/80/491303680.db2.gz OTPBCJWGGKFJQD-OAHLLOKOSA-N 2 1 373.457 0.783 10 0 FCAEMP Cc1nc2cc(NC(=O)C(=O)NC[C@H]3CCCCN3CCO)ccc2n1C ZINC000571376550 491303682 /nfs/dbraw/zinc/30/36/82/491303682.db2.gz OTPBCJWGGKFJQD-OAHLLOKOSA-N 2 1 373.457 0.783 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000521224198 490237441 /nfs/dbraw/zinc/23/74/41/490237441.db2.gz NWOUKENYUGTOPL-JQHSSLGASA-N 2 1 358.486 0.834 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000521224198 490237443 /nfs/dbraw/zinc/23/74/43/490237443.db2.gz NWOUKENYUGTOPL-JQHSSLGASA-N 2 1 358.486 0.834 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000521450269 490264615 /nfs/dbraw/zinc/26/46/15/490264615.db2.gz QIGJUDNPMJVASW-UYSNPLJNSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547645798 490333582 /nfs/dbraw/zinc/33/35/82/490333582.db2.gz MRODXLUKGSRPSI-APWZRJJASA-N 2 1 373.497 0.980 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000448524096 490360645 /nfs/dbraw/zinc/36/06/45/490360645.db2.gz DTMHIDIODVZYCB-ZACQAIPSSA-N 2 1 367.538 0.946 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000448524096 490360653 /nfs/dbraw/zinc/36/06/53/490360653.db2.gz DTMHIDIODVZYCB-ZACQAIPSSA-N 2 1 367.538 0.946 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000448524096 490360658 /nfs/dbraw/zinc/36/06/58/490360658.db2.gz DTMHIDIODVZYCB-ZACQAIPSSA-N 2 1 367.538 0.946 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000509723331 490456665 /nfs/dbraw/zinc/45/66/65/490456665.db2.gz FHFZURCICRZOBD-KRWDZBQOSA-N 2 1 368.522 0.548 10 0 FCAEMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422955292 490504873 /nfs/dbraw/zinc/50/48/73/490504873.db2.gz LQDYOYWRBYGVRG-HNNXBMFYSA-N 2 1 360.458 0.887 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422963543 490507048 /nfs/dbraw/zinc/50/70/48/490507048.db2.gz GFRYBDNQRMMSFL-FUHWJXTLSA-N 2 1 370.497 0.978 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423060451 490533332 /nfs/dbraw/zinc/53/33/32/490533332.db2.gz OKPLGZBTKDQBHQ-RXVVDRJESA-N 2 1 370.497 0.931 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229671 490562624 /nfs/dbraw/zinc/56/26/24/490562624.db2.gz XPCWMLPPWMZILD-PMPSAXMXSA-N 2 1 355.527 0.861 10 0 FCAEMP CCNC(=O)[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000550178563 490635308 /nfs/dbraw/zinc/63/53/08/490635308.db2.gz KHOHJETZBZBIGM-RDJZCZTQSA-N 2 1 356.511 0.210 10 0 FCAEMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511966027 490644657 /nfs/dbraw/zinc/64/46/57/490644657.db2.gz VZSUNDTXKGTENQ-KLAILNCOSA-N 2 1 350.507 0.968 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511982327 490647847 /nfs/dbraw/zinc/64/78/47/490647847.db2.gz LIDZMOGNNSBAEV-KLAILNCOSA-N 2 1 350.507 0.920 10 0 FCAEMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC1=O ZINC000556928392 491344078 /nfs/dbraw/zinc/34/40/78/491344078.db2.gz AMHNKCCLXUSKLY-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC000556928392 491344079 /nfs/dbraw/zinc/34/40/79/491344079.db2.gz AMHNKCCLXUSKLY-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP COCC[NH+](C)CCN1C[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1=O ZINC000556928392 491344081 /nfs/dbraw/zinc/34/40/81/491344081.db2.gz AMHNKCCLXUSKLY-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP NC(=O)C[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000487533046 490717395 /nfs/dbraw/zinc/71/73/95/490717395.db2.gz GENRBLKTIHBFKE-HZPDHXFCSA-N 2 1 354.495 0.463 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000557118792 491354224 /nfs/dbraw/zinc/35/42/24/491354224.db2.gz VUVPHYJLBHALTM-IRXDYDNUSA-N 2 1 368.522 0.450 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000514616366 490775607 /nfs/dbraw/zinc/77/56/07/490775607.db2.gz OEDJUOYYBYNPOJ-OAHLLOKOSA-N 2 1 365.522 0.927 10 0 FCAEMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000515655139 490834767 /nfs/dbraw/zinc/83/47/67/490834767.db2.gz FGALDAZYILYUFY-HKUYNNGSSA-N 2 1 359.449 0.961 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1=CC[N@@H+](C)CC1 ZINC000516065116 490848291 /nfs/dbraw/zinc/84/82/91/490848291.db2.gz BFGHIKSJDCVLAS-KBXCAEBGSA-N 2 1 356.470 0.838 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529309334 490849860 /nfs/dbraw/zinc/84/98/60/490849860.db2.gz ZTJWJTPXEPLREP-MRXNPFEDSA-N 2 1 366.510 0.213 10 0 FCAEMP CN(CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cc[nH+]cc1 ZINC000541856410 490875725 /nfs/dbraw/zinc/87/57/25/490875725.db2.gz YMOLOOGQILSTAK-KRWDZBQOSA-N 2 1 359.474 0.673 10 0 FCAEMP O=C(NCCNc1cc[nH+]cc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541922773 490878970 /nfs/dbraw/zinc/87/89/70/490878970.db2.gz PIPOXGWXTKVFOS-LJQANCHMSA-N 2 1 369.469 0.981 10 0 FCAEMP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000517613257 490914719 /nfs/dbraw/zinc/91/47/19/490914719.db2.gz LTRCLSZBJRVKIT-INIZCTEOSA-N 2 1 350.507 0.920 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2CC(N)=O)C1 ZINC000517741037 490918664 /nfs/dbraw/zinc/91/86/64/490918664.db2.gz LNWBLJJBGMBIFX-HOTGVXAUSA-N 2 1 354.495 0.189 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)C1 ZINC000517741037 490918665 /nfs/dbraw/zinc/91/86/65/490918665.db2.gz LNWBLJJBGMBIFX-HOTGVXAUSA-N 2 1 354.495 0.189 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)C1 ZINC000517741037 490918666 /nfs/dbraw/zinc/91/86/66/490918666.db2.gz LNWBLJJBGMBIFX-HOTGVXAUSA-N 2 1 354.495 0.189 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531291535 490950520 /nfs/dbraw/zinc/95/05/20/490950520.db2.gz RAMIVNLMHGBOLU-HXUWFJFHSA-N 2 1 360.502 0.329 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000519139128 490962670 /nfs/dbraw/zinc/96/26/70/490962670.db2.gz XXMAYFJLKYKEER-ROUUACIJSA-N 2 1 371.485 0.641 10 0 FCAEMP C(CC[NH+]1CCN2CCOC[C@@H]2C1)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000544530849 490971412 /nfs/dbraw/zinc/97/14/12/490971412.db2.gz VMOZHPBZUKOJMS-OALUTQOASA-N 2 1 352.523 0.190 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000519525390 490973840 /nfs/dbraw/zinc/97/38/40/490973840.db2.gz PYXPVUOQPHLSQO-MRXNPFEDSA-N 2 1 361.490 0.754 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000531876523 490978759 /nfs/dbraw/zinc/97/87/59/490978759.db2.gz SAEBFOLVVLWKHS-QGZVFWFLSA-N 2 1 371.551 0.229 10 0 FCAEMP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000519716247 490986714 /nfs/dbraw/zinc/98/67/14/490986714.db2.gz SVGORFLIZVBORR-JKSUJKDBSA-N 2 1 363.510 0.206 10 0 FCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000519727267 490986777 /nfs/dbraw/zinc/98/67/77/490986777.db2.gz DUSKZPODMAYLRB-ZCRFILTFSA-N 2 1 350.507 0.963 10 0 FCAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000519727267 490986779 /nfs/dbraw/zinc/98/67/79/490986779.db2.gz DUSKZPODMAYLRB-ZCRFILTFSA-N 2 1 350.507 0.963 10 0 FCAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000519727267 490986781 /nfs/dbraw/zinc/98/67/81/490986781.db2.gz DUSKZPODMAYLRB-ZCRFILTFSA-N 2 1 350.507 0.963 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000519754929 490988186 /nfs/dbraw/zinc/98/81/86/490988186.db2.gz KJZXYEVQMASAKC-XWTMOSNGSA-N 2 1 356.470 0.901 10 0 FCAEMP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000595559825 491942274 /nfs/dbraw/zinc/94/22/74/491942274.db2.gz UVVQBHHLRALYGK-OAHLLOKOSA-N 2 1 353.463 0.337 10 0 FCAEMP COC(=O)CCN1CCC[C@@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000595559825 491942276 /nfs/dbraw/zinc/94/22/76/491942276.db2.gz UVVQBHHLRALYGK-OAHLLOKOSA-N 2 1 353.463 0.337 10 0 FCAEMP O=C(CNC(=O)Cn1c[nH+]c2c1CCCC2)NCC[NH+]1CCCCCC1 ZINC000554221856 491185689 /nfs/dbraw/zinc/18/56/89/491185689.db2.gz SDXCLNLZHXWAOT-UHFFFAOYSA-N 2 1 361.490 0.870 10 0 FCAEMP C[NH+]1CCC(CCNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000557400446 491372553 /nfs/dbraw/zinc/37/25/53/491372553.db2.gz FGLPAHBSCGMWPT-ALOPSCKCSA-N 2 1 350.507 0.966 10 0 FCAEMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000565574817 491386332 /nfs/dbraw/zinc/38/63/32/491386332.db2.gz AEUWXIVTHCTKFT-JKSUJKDBSA-N 2 1 351.447 0.769 10 0 FCAEMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000572870707 491398861 /nfs/dbraw/zinc/39/88/61/491398861.db2.gz SAVIWWXFHARKMW-NPYXIHBLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000572870707 491398864 /nfs/dbraw/zinc/39/88/64/491398864.db2.gz SAVIWWXFHARKMW-NPYXIHBLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000572870707 491398865 /nfs/dbraw/zinc/39/88/65/491398865.db2.gz SAVIWWXFHARKMW-NPYXIHBLSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000572870707 491398868 /nfs/dbraw/zinc/39/88/68/491398868.db2.gz SAVIWWXFHARKMW-NPYXIHBLSA-N 2 1 350.507 0.917 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000573443260 491433889 /nfs/dbraw/zinc/43/38/89/491433889.db2.gz CIEFXDMVDMGAPB-RHSMWYFYSA-N 2 1 370.457 0.998 10 0 FCAEMP CC1(C)CCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573495587 491436867 /nfs/dbraw/zinc/43/68/67/491436867.db2.gz WROSSDHKOUJGBC-INIZCTEOSA-N 2 1 360.506 0.883 10 0 FCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000559499039 491477540 /nfs/dbraw/zinc/47/75/40/491477540.db2.gz ZQUDHLRKBMJHLN-GASCZTMLSA-N 2 1 356.511 0.401 10 0 FCAEMP 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/nfs/dbraw/zinc/17/28/36/492172836.db2.gz CKMVPSQPFMUXEO-AWEZNQCLSA-N 2 1 370.519 0.644 10 0 FCAEMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1S(N)(=O)=O ZINC000617505440 492172837 /nfs/dbraw/zinc/17/28/37/492172837.db2.gz CKMVPSQPFMUXEO-AWEZNQCLSA-N 2 1 370.519 0.644 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000617504082 492172958 /nfs/dbraw/zinc/17/29/58/492172958.db2.gz GZFFCSNNBZDXGE-QWHCGFSZSA-N 2 1 366.428 0.785 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000617504082 492172961 /nfs/dbraw/zinc/17/29/61/492172961.db2.gz GZFFCSNNBZDXGE-QWHCGFSZSA-N 2 1 366.428 0.785 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-n1cnnn1 ZINC000617504414 492173230 /nfs/dbraw/zinc/17/32/30/492173230.db2.gz UUPOSWLTXWLCRJ-LBPRGKRZSA-N 2 1 351.480 0.726 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-n1cnnn1 ZINC000617504414 492173232 /nfs/dbraw/zinc/17/32/32/492173232.db2.gz UUPOSWLTXWLCRJ-LBPRGKRZSA-N 2 1 351.480 0.726 10 0 FCAEMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000611304540 492285071 /nfs/dbraw/zinc/28/50/71/492285071.db2.gz GARQMLIJJRWKPS-ZIAGYGMSSA-N 2 1 353.463 0.587 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000627456190 492302943 /nfs/dbraw/zinc/30/29/43/492302943.db2.gz CMRADUAZKKZQRB-LSDHHAIUSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627456992 492304022 /nfs/dbraw/zinc/30/40/22/492304022.db2.gz GAAJJOVNHYJTLD-BQJWPVKWSA-N 2 1 366.506 0.343 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627456992 492304023 /nfs/dbraw/zinc/30/40/23/492304023.db2.gz GAAJJOVNHYJTLD-BQJWPVKWSA-N 2 1 366.506 0.343 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561326 492308684 /nfs/dbraw/zinc/30/86/84/492308684.db2.gz 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BXGQYWDVPGDORU-OAGGEKHMSA-N 2 1 356.511 0.894 10 0 FCAEMP COC1CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654650257 492330310 /nfs/dbraw/zinc/33/03/10/492330310.db2.gz BXGQYWDVPGDORU-OAGGEKHMSA-N 2 1 356.511 0.894 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654656258 492334931 /nfs/dbraw/zinc/33/49/31/492334931.db2.gz OVTMBDXPKYYABM-UUAJXVIYSA-N 2 1 356.511 0.581 10 0 FCAEMP C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654656258 492334934 /nfs/dbraw/zinc/33/49/34/492334934.db2.gz OVTMBDXPKYYABM-UUAJXVIYSA-N 2 1 356.511 0.581 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730572 492344381 /nfs/dbraw/zinc/34/43/81/492344381.db2.gz TXGLNHSNBWXJBQ-IRXDYDNUSA-N 2 1 365.522 0.809 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730572 492344383 /nfs/dbraw/zinc/34/43/83/492344383.db2.gz TXGLNHSNBWXJBQ-IRXDYDNUSA-N 2 1 365.522 0.809 10 0 FCAEMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000642439441 492358082 /nfs/dbraw/zinc/35/80/82/492358082.db2.gz HHGMOEVRMOZIEY-IRXDYDNUSA-N 2 1 359.474 0.545 10 0 FCAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000642898382 492398546 /nfs/dbraw/zinc/39/85/46/492398546.db2.gz QJAGPOLCYUUUBZ-MAUKXSAKSA-N 2 1 358.486 0.963 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000642914480 492403107 /nfs/dbraw/zinc/40/31/07/492403107.db2.gz SNUOOAQDGFHHBD-AEFFLSMTSA-N 2 1 358.486 0.978 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000655163376 492408893 /nfs/dbraw/zinc/40/88/93/492408893.db2.gz HDBAJPXBIZLUKB-SFHVURJKSA-N 2 1 358.486 0.741 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000643012091 492413558 /nfs/dbraw/zinc/41/35/58/492413558.db2.gz MBODZXCFXQZLCV-AEFFLSMTSA-N 2 1 374.485 0.214 10 0 FCAEMP CN(C1CC1)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643096937 492419598 /nfs/dbraw/zinc/41/95/98/492419598.db2.gz DYGXYZQKYMNDEA-UHFFFAOYSA-N 2 1 352.504 0.909 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)CC2 ZINC000643526302 492491243 /nfs/dbraw/zinc/49/12/43/492491243.db2.gz YIETWMWPPAQSSW-HZMVEIRTSA-N 2 1 350.507 0.903 10 0 FCAEMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656064324 492527329 /nfs/dbraw/zinc/52/73/29/492527329.db2.gz SSVGFPUDBHINNW-DLBZAZTESA-N 2 1 368.522 0.090 10 0 FCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321374 492532030 /nfs/dbraw/zinc/53/20/30/492532030.db2.gz VOKHTPFFHUIQLG-WPECMILSSA-N 2 1 351.491 0.577 10 0 FCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321375 492532134 /nfs/dbraw/zinc/53/21/34/492532134.db2.gz VOKHTPFFHUIQLG-ZAHIEGGZSA-N 2 1 351.491 0.577 10 0 FCAEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCN(c2ncccn2)CC1 ZINC000649415204 492552603 /nfs/dbraw/zinc/55/26/03/492552603.db2.gz PFYGTMXTABYWQG-MSOLQXFVSA-N 2 1 372.517 0.979 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414940 492552831 /nfs/dbraw/zinc/55/28/31/492552831.db2.gz ALOADONPZZGNQM-KZNAEPCWSA-N 2 1 372.517 0.978 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414940 492552834 /nfs/dbraw/zinc/55/28/34/492552834.db2.gz ALOADONPZZGNQM-KZNAEPCWSA-N 2 1 372.517 0.978 10 0 FCAEMP C[NH+](C)CCN1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1=O ZINC000649685581 492571015 /nfs/dbraw/zinc/57/10/15/492571015.db2.gz FJHMMHPREYQXPU-UHFFFAOYSA-N 2 1 352.523 0.977 10 0 FCAEMP C[NH+](C)CCN1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1=O ZINC000649685581 492571018 /nfs/dbraw/zinc/57/10/18/492571018.db2.gz FJHMMHPREYQXPU-UHFFFAOYSA-N 2 1 352.523 0.977 10 0 FCAEMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656295668 492574170 /nfs/dbraw/zinc/57/41/70/492574170.db2.gz BDZGZRDJYJZIDO-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656295668 492574173 /nfs/dbraw/zinc/57/41/73/492574173.db2.gz BDZGZRDJYJZIDO-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000629568114 492647205 /nfs/dbraw/zinc/64/72/05/492647205.db2.gz ITDHFIKVJBJBGQ-GJZGRUSLSA-N 2 1 351.447 0.499 10 0 FCAEMP C[NH2+]CCOCCN(C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000629570772 492648914 /nfs/dbraw/zinc/64/89/14/492648914.db2.gz MHMXIPQVUJZUFC-UHFFFAOYSA-N 2 1 362.518 0.807 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000629570772 492648917 /nfs/dbraw/zinc/64/89/17/492648917.db2.gz MHMXIPQVUJZUFC-UHFFFAOYSA-N 2 1 362.518 0.807 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000629570772 492648919 /nfs/dbraw/zinc/64/89/19/492648919.db2.gz MHMXIPQVUJZUFC-UHFFFAOYSA-N 2 1 362.518 0.807 10 0 FCAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650808814 492669017 /nfs/dbraw/zinc/66/90/17/492669017.db2.gz MXEHBDJCSJFWLM-CQSZACIVSA-N 2 1 350.467 0.243 10 0 FCAEMP CN(CCOCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629787246 492672120 /nfs/dbraw/zinc/67/21/20/492672120.db2.gz ALMGZVQMJJCRBK-QGZVFWFLSA-N 2 1 362.474 0.153 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625406165 492775837 /nfs/dbraw/zinc/77/58/37/492775837.db2.gz QILNUPIUHWDYNW-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625406165 492775839 /nfs/dbraw/zinc/77/58/39/492775839.db2.gz QILNUPIUHWDYNW-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625406165 492775840 /nfs/dbraw/zinc/77/58/40/492775840.db2.gz QILNUPIUHWDYNW-DOTOQJQBSA-N 2 1 350.507 0.920 10 0 FCAEMP C[N@H+]1C[C@@H]2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000644736394 492804522 /nfs/dbraw/zinc/80/45/22/492804522.db2.gz ZGULKCLGLDYFID-ZWKOTPCHSA-N 2 1 364.534 0.774 10 0 FCAEMP CC(C)Nc1nc(N2CCC(C)([NH+]3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000631444201 492818709 /nfs/dbraw/zinc/81/87/09/492818709.db2.gz AWILKEPJCXBMPM-UHFFFAOYSA-N 2 1 363.510 0.395 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@H]1C[NH3+] ZINC000631843350 492860368 /nfs/dbraw/zinc/86/03/68/492860368.db2.gz MNIJZDQNNQLYDZ-ZIAGYGMSSA-N 2 1 350.488 0.559 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@H]1C[NH3+] ZINC000631843350 492860371 /nfs/dbraw/zinc/86/03/71/492860371.db2.gz MNIJZDQNNQLYDZ-ZIAGYGMSSA-N 2 1 350.488 0.559 10 0 FCAEMP COc1cc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000631844154 492861356 /nfs/dbraw/zinc/86/13/56/492861356.db2.gz VKCIFMXFDLZFBL-TZMCWYRMSA-N 2 1 351.447 0.855 10 0 FCAEMP 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353.467 0.819 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1noc2c1COCC2 ZINC000923198349 667811432 /nfs/dbraw/zinc/81/14/32/667811432.db2.gz GKTCJFOVOQAAHI-ZDUSSCGKSA-N 2 1 353.467 0.819 10 0 FCAEMP FC(F)(F)COCCCN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923309642 667824485 /nfs/dbraw/zinc/82/44/85/667824485.db2.gz YCQKQYCIFNDDRD-CQSZACIVSA-N 2 1 351.413 0.952 10 0 FCAEMP O=C(CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCCCC1 ZINC000923320494 667824876 /nfs/dbraw/zinc/82/48/76/667824876.db2.gz YQZRHYMVRJZKII-QGZVFWFLSA-N 2 1 350.507 0.385 10 0 FCAEMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000923359616 667828519 /nfs/dbraw/zinc/82/85/19/667828519.db2.gz SZPHVANSPDBWDK-RRFJBIMHSA-N 2 1 359.536 0.672 10 0 FCAEMP CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000923359616 667828524 /nfs/dbraw/zinc/82/85/24/667828524.db2.gz SZPHVANSPDBWDK-RRFJBIMHSA-N 2 1 359.536 0.672 10 0 FCAEMP CCOc1ccc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1OCC ZINC000923466304 667837773 /nfs/dbraw/zinc/83/77/73/667837773.db2.gz MQQSDJSDCSNEOW-UHFFFAOYSA-N 2 1 350.463 0.917 10 0 FCAEMP COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[NH2+]CC[NH2+]CC2)cc1F ZINC000923465001 667837843 /nfs/dbraw/zinc/83/78/43/667837843.db2.gz UDCXEXJWGYEDHP-CQSZACIVSA-N 2 1 352.454 0.676 10 0 FCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1C[NH3+] ZINC000923498644 667841594 /nfs/dbraw/zinc/84/15/94/667841594.db2.gz IUFWBKLNRLWLCJ-GJZGRUSLSA-N 2 1 364.515 0.949 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@@H]1C[NH3+] ZINC000923501875 667842456 /nfs/dbraw/zinc/84/24/56/667842456.db2.gz WIFNPUAPWVVDDS-NVXWUHKLSA-N 2 1 350.507 0.764 10 0 FCAEMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923601118 667867273 /nfs/dbraw/zinc/86/72/73/667867273.db2.gz IXPHXNUFPKPIFM-KRWDZBQOSA-N 3 1 367.519 0.265 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000775817926 668232686 /nfs/dbraw/zinc/23/26/86/668232686.db2.gz VSYXRDJHNNMUNH-HRCADAONSA-N 2 1 354.495 0.996 10 0 FCAEMP Cc1cc(NC[C@@H](O)CN2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000819491593 669006555 /nfs/dbraw/zinc/00/65/55/669006555.db2.gz LHPAMOVNWOIZOY-GOSISDBHSA-N 2 1 350.507 0.956 10 0 FCAEMP CN(C[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000822791653 669295018 /nfs/dbraw/zinc/29/50/18/669295018.db2.gz VFVZVNFCGKTQPY-INIZCTEOSA-N 2 1 358.527 0.784 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)CC1 ZINC000830105830 669754395 /nfs/dbraw/zinc/75/43/95/669754395.db2.gz PNVLJBUZNFRZEJ-OAHLLOKOSA-N 2 1 352.479 0.750 10 0 FCAEMP CCON(C)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000845566416 671023959 /nfs/dbraw/zinc/02/39/59/671023959.db2.gz PDMBVCFPLTZMGF-OAHLLOKOSA-N 2 1 357.499 0.454 10 0 FCAEMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847319271 671182800 /nfs/dbraw/zinc/18/28/00/671182800.db2.gz ORDBVZXHIQUSQC-GVDBMIGSSA-N 2 1 352.479 0.090 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000853683877 671554106 /nfs/dbraw/zinc/55/41/06/671554106.db2.gz XPDOVWYVTCPATE-GVDBMIGSSA-N 2 1 354.495 0.602 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000855640890 671657048 /nfs/dbraw/zinc/65/70/48/671657048.db2.gz GCWQJXJXWQPPNU-UHFFFAOYSA-N 2 1 354.495 0.996 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584364 671692015 /nfs/dbraw/zinc/69/20/15/671692015.db2.gz IRVGNIKWCXFITG-WMZOPIPTSA-N 2 1 351.447 0.910 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584364 671692019 /nfs/dbraw/zinc/69/20/19/671692019.db2.gz IRVGNIKWCXFITG-WMZOPIPTSA-N 2 1 351.447 0.910 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@](C)(O)C(=O)OC)C2)ccn1 ZINC000856584364 671692022 /nfs/dbraw/zinc/69/20/22/671692022.db2.gz IRVGNIKWCXFITG-WMZOPIPTSA-N 2 1 351.447 0.910 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C2 ZINC000903492911 675933445 /nfs/dbraw/zinc/93/34/45/675933445.db2.gz LILZSHULWAEHLS-IETSOEAISA-N 2 1 352.822 0.886 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C2 ZINC000903492911 675933446 /nfs/dbraw/zinc/93/34/46/675933446.db2.gz LILZSHULWAEHLS-IETSOEAISA-N 2 1 352.822 0.886 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(=O)n3cc(C)sc3n1)C2 ZINC000903494509 675933684 /nfs/dbraw/zinc/93/36/84/675933684.db2.gz HMJWZBRKPNSVBN-JKDFXYPNSA-N 2 1 362.455 0.777 10 0 FCAEMP CCN(CC1CC1)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562356 675944973 /nfs/dbraw/zinc/94/49/73/675944973.db2.gz JMXJVFAMUMXLOF-CALCHBBNSA-N 2 1 356.536 0.864 10 0 FCAEMP CCN(CC1CC1)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562356 675944974 /nfs/dbraw/zinc/94/49/74/675944974.db2.gz JMXJVFAMUMXLOF-CALCHBBNSA-N 2 1 356.536 0.864 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1C ZINC000903748064 675967190 /nfs/dbraw/zinc/96/71/90/675967190.db2.gz YCPUXBUHTIJXIY-ZDEQEGDKSA-N 2 1 364.412 0.666 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@@H]1C ZINC000903748064 675967192 /nfs/dbraw/zinc/96/71/92/675967192.db2.gz YCPUXBUHTIJXIY-ZDEQEGDKSA-N 2 1 364.412 0.666 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)C2)C1 ZINC000903787017 675973313 /nfs/dbraw/zinc/97/33/13/675973313.db2.gz HHURNJIPNBXYNR-HUBLWGQQSA-N 2 1 362.396 0.279 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903790073 675973912 /nfs/dbraw/zinc/97/39/12/675973912.db2.gz QGZSMEXBZVJXNX-RWMBFGLXSA-N 2 1 364.412 0.667 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cnn1C ZINC000903883914 675980682 /nfs/dbraw/zinc/98/06/82/675980682.db2.gz MAUUGVFVVAHWJO-DOTOQJQBSA-N 2 1 371.551 0.640 10 0 FCAEMP CCN(C1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1)S(C)(=O)=O ZINC000903904263 675981258 /nfs/dbraw/zinc/98/12/58/675981258.db2.gz SVKCPUGDCLBSRX-HNNXBMFYSA-N 2 1 371.551 0.592 10 0 FCAEMP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549652 672135910 /nfs/dbraw/zinc/13/59/10/672135910.db2.gz HVELTILJLTZRLE-BMFZPTHFSA-N 2 1 352.479 0.794 10 0 FCAEMP CC(C)(C)CCNC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550106 672136523 /nfs/dbraw/zinc/13/65/23/672136523.db2.gz NUQZQMSVTDPBCQ-CABCVRRESA-N 2 1 352.479 0.796 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1C[NH+](C)C ZINC000865244607 672234352 /nfs/dbraw/zinc/23/43/52/672234352.db2.gz BSBISNPURLMXSW-IAGOWNOFSA-N 3 1 371.595 0.254 10 0 FCAEMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706488 672290031 /nfs/dbraw/zinc/29/00/31/672290031.db2.gz AWKIQYSIPWQIOM-JONQDZQNSA-N 2 1 350.463 0.500 10 0 FCAEMP 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0.820 10 0 FCAEMP CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)OC2=O ZINC000929313402 673950186 /nfs/dbraw/zinc/95/01/86/673950186.db2.gz WYXQYFNQCICQKG-MELADBBJSA-N 2 1 351.447 0.690 10 0 FCAEMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@]2(C)C1 ZINC000929609187 673966992 /nfs/dbraw/zinc/96/69/92/673966992.db2.gz OERCEBXHWVZHQN-KUHUBIRLSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)CC1 ZINC000929608065 673967018 /nfs/dbraw/zinc/96/70/18/673967018.db2.gz RYLZKMOQZQOUNU-QGZVFWFLSA-N 2 1 353.507 0.529 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929693692 673972243 /nfs/dbraw/zinc/97/22/43/673972243.db2.gz CUWIOQACBSFJOE-HOTGVXAUSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000929935797 673986632 /nfs/dbraw/zinc/98/66/32/673986632.db2.gz RCKVNCAQLBZHEJ-LSDHHAIUSA-N 2 1 354.520 0.283 10 0 FCAEMP 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COCCOCCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000930094305 673997028 /nfs/dbraw/zinc/99/70/28/673997028.db2.gz HNHCUZJJLQPKFB-DFNIBXOVSA-N 2 1 355.523 0.909 10 0 FCAEMP COCCOCCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000930094305 673997030 /nfs/dbraw/zinc/99/70/30/673997030.db2.gz HNHCUZJJLQPKFB-DFNIBXOVSA-N 2 1 355.523 0.909 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000930097365 673997684 /nfs/dbraw/zinc/99/76/84/673997684.db2.gz PVKLJLDXMIJDMS-FPSMNIFISA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+](C)C[C@@H]1CCC[C@@H]1O)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000930097365 673997686 /nfs/dbraw/zinc/99/76/86/673997686.db2.gz PVKLJLDXMIJDMS-FPSMNIFISA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+](C)C[C@@H]1CCC[C@@H]1O)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000930097365 673997687 /nfs/dbraw/zinc/99/76/87/673997687.db2.gz PVKLJLDXMIJDMS-FPSMNIFISA-N 2 1 355.523 0.677 10 0 FCAEMP 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CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900482070 675687100 /nfs/dbraw/zinc/68/71/00/675687100.db2.gz YSYGPUBBVSVHMG-MJGOQNOKSA-N 3 1 354.539 0.708 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900482070 675687102 /nfs/dbraw/zinc/68/71/02/675687102.db2.gz YSYGPUBBVSVHMG-MJGOQNOKSA-N 3 1 354.539 0.708 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900482070 675687104 /nfs/dbraw/zinc/68/71/04/675687104.db2.gz YSYGPUBBVSVHMG-MJGOQNOKSA-N 3 1 354.539 0.708 10 0 FCAEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H](O)C(C)(C)O ZINC000900975995 675736655 /nfs/dbraw/zinc/73/66/55/675736655.db2.gz SDYUPBKEARKQCT-QGZVFWFLSA-N 2 1 355.523 0.773 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)CC[N@H+]1C ZINC001266285585 1167875197 /nfs/dbraw/zinc/87/51/97/1167875197.db2.gz FIQOWVICHCXVBF-FGTMMUONSA-N 2 1 366.550 0.876 10 0 FCAEMP 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000861544694 1209871034 /nfs/dbraw/zinc/87/10/34/1209871034.db2.gz OOUBTCNVPMXVGI-WMLDXEAASA-N 2 1 359.474 0.634 10 0 FCAEMP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000863552331 1209945127 /nfs/dbraw/zinc/94/51/27/1209945127.db2.gz XLBPVOHJNJFFPO-DIECFANBSA-N 2 1 364.490 0.748 10 0 FCAEMP CC1CCC(NC(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863550087 1209945186 /nfs/dbraw/zinc/94/51/86/1209945186.db2.gz NIRLKCYAHLTTED-MMADZMRASA-N 2 1 364.490 0.938 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCc3c(CC(N)=O)cccc3C2)C1=O ZINC000864350434 1209958334 /nfs/dbraw/zinc/95/83/34/1209958334.db2.gz FBZOHFPRNSYKJX-KRWDZBQOSA-N 2 1 372.469 0.152 10 0 FCAEMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCc3c(CC(N)=O)cccc3C2)C1=O ZINC000864350434 1209958338 /nfs/dbraw/zinc/95/83/38/1209958338.db2.gz FBZOHFPRNSYKJX-KRWDZBQOSA-N 2 1 372.469 0.152 10 0 FCAEMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707579 1210002402 /nfs/dbraw/zinc/00/24/02/1210002402.db2.gz ILWLSJVLWXEAEM-OWLYRPNTSA-N 2 1 372.469 0.900 10 0 FCAEMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707579 1210002404 /nfs/dbraw/zinc/00/24/04/1210002404.db2.gz ILWLSJVLWXEAEM-OWLYRPNTSA-N 2 1 372.469 0.900 10 0 FCAEMP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCc1ccccc1 ZINC000866709954 1210002869 /nfs/dbraw/zinc/00/28/69/1210002869.db2.gz UIAQUZYSTHYVAL-KSZLIROESA-N 2 1 372.469 0.602 10 0 FCAEMP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCc1ccccc1 ZINC000866709954 1210002872 /nfs/dbraw/zinc/00/28/72/1210002872.db2.gz UIAQUZYSTHYVAL-KSZLIROESA-N 2 1 372.469 0.602 10 0 FCAEMP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709999 1210003850 /nfs/dbraw/zinc/00/38/50/1210003850.db2.gz VPMJZAQVMBHIFR-UWIFEVILSA-N 2 1 370.453 0.831 10 0 FCAEMP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709999 1210003853 /nfs/dbraw/zinc/00/38/53/1210003853.db2.gz VPMJZAQVMBHIFR-UWIFEVILSA-N 2 1 370.453 0.831 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710374 1210004000 /nfs/dbraw/zinc/00/40/00/1210004000.db2.gz PTNHZWSMZDEXRK-VVLHAWIVSA-N 2 1 356.426 0.659 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710374 1210004002 /nfs/dbraw/zinc/00/40/02/1210004002.db2.gz PTNHZWSMZDEXRK-VVLHAWIVSA-N 2 1 356.426 0.659 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCO1 ZINC000867639849 1210019660 /nfs/dbraw/zinc/01/96/60/1210019660.db2.gz DDPFPORSEMUVHK-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001490810474 1210036689 /nfs/dbraw/zinc/03/66/89/1210036689.db2.gz WEDZEQIIZXWXGN-HHARLNAUSA-N 2 1 366.506 0.153 10 0 FCAEMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000868229606 1210044930 /nfs/dbraw/zinc/04/49/30/1210044930.db2.gz PZFHUQFNIFOVEE-LUKYLMHMSA-N 2 1 358.442 0.419 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000868387044 1210058481 /nfs/dbraw/zinc/05/84/81/1210058481.db2.gz OBJCTYBHJVJDNM-ROUUACIJSA-N 2 1 358.486 0.917 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868387341 1210058978 /nfs/dbraw/zinc/05/89/78/1210058978.db2.gz BCVBULCAVOVGEK-XMTFNYHQSA-N 2 1 356.470 0.492 10 0 FCAEMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000868418857 1210064175 /nfs/dbraw/zinc/06/41/75/1210064175.db2.gz RTHLMSAENXNOSK-DKIMLUQUSA-N 2 1 360.502 0.815 10 0 FCAEMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000872197037 1210178798 /nfs/dbraw/zinc/17/87/98/1210178798.db2.gz VESSQITWKNGLIE-OXFYSEKESA-N 2 1 358.486 0.773 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H](Cc2ccccc2)C1 ZINC000872196331 1210179119 /nfs/dbraw/zinc/17/91/19/1210179119.db2.gz QDDBVDLQVVDHIE-WAOWUJCRSA-N 2 1 370.497 0.440 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H](Cc2ccccc2)C1 ZINC000872196331 1210179136 /nfs/dbraw/zinc/17/91/36/1210179136.db2.gz QDDBVDLQVVDHIE-WAOWUJCRSA-N 2 1 370.497 0.440 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000872254814 1210182081 /nfs/dbraw/zinc/18/20/81/1210182081.db2.gz DGTRAKODNBFSIS-HYVNUMGLSA-N 2 1 354.414 0.634 10 0 FCAEMP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872309827 1210190935 /nfs/dbraw/zinc/19/09/35/1210190935.db2.gz ZCLMYIPCISNXIC-YOENINGUSA-N 2 1 360.414 0.089 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001275668825 1211270489 /nfs/dbraw/zinc/27/04/89/1211270489.db2.gz VYKKYFLFIIMBLJ-UONOGXRCSA-N 2 1 369.510 0.247 10 0 FCAEMP O=C1NCC2(CCOCC2)[C@H]1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000925134484 1211491473 /nfs/dbraw/zinc/49/14/73/1211491473.db2.gz SEWGDDVXHZXUHG-FXAWDEMLSA-N 2 1 359.470 0.508 10 0 FCAEMP O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000925134484 1211491476 /nfs/dbraw/zinc/49/14/76/1211491476.db2.gz SEWGDDVXHZXUHG-FXAWDEMLSA-N 2 1 359.470 0.508 10 0 FCAEMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926348599 1211537618 /nfs/dbraw/zinc/53/76/18/1211537618.db2.gz SSXFISJLBBFVBE-OAGGEKHMSA-N 2 1 366.506 0.141 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCO1 ZINC000927633095 1211576888 /nfs/dbraw/zinc/57/68/88/1211576888.db2.gz LPPQREQPTOUVCB-QZTJIDSGSA-N 2 1 368.522 0.992 10 0 FCAEMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927634261 1211577348 /nfs/dbraw/zinc/57/73/48/1211577348.db2.gz IBWJTHHNFBDRJG-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927634261 1211577352 /nfs/dbraw/zinc/57/73/52/1211577352.db2.gz IBWJTHHNFBDRJG-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927634261 1211577356 /nfs/dbraw/zinc/57/73/56/1211577356.db2.gz IBWJTHHNFBDRJG-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP CN(CCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)CC[NH+](C)C ZINC000927634261 1211577362 /nfs/dbraw/zinc/57/73/62/1211577362.db2.gz IBWJTHHNFBDRJG-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP CN(CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)CC[NH+](C)C ZINC000927634261 1211577367 /nfs/dbraw/zinc/57/73/67/1211577367.db2.gz IBWJTHHNFBDRJG-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927639181 1211577863 /nfs/dbraw/zinc/57/78/63/1211577863.db2.gz BFNJVGQONFVOEJ-GOSISDBHSA-N 2 1 367.538 0.519 10 0 FCAEMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927639181 1211577869 /nfs/dbraw/zinc/57/78/69/1211577869.db2.gz BFNJVGQONFVOEJ-GOSISDBHSA-N 2 1 367.538 0.519 10 0 FCAEMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927639181 1211577874 /nfs/dbraw/zinc/57/78/74/1211577874.db2.gz BFNJVGQONFVOEJ-GOSISDBHSA-N 2 1 367.538 0.519 10 0 FCAEMP CCc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n(C)n1 ZINC000927835204 1211584087 /nfs/dbraw/zinc/58/40/87/1211584087.db2.gz OGSNADIXBRGOPN-IYBDPMFKSA-N 2 1 374.489 0.348 10 0 FCAEMP CCc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n(C)n1 ZINC000927835204 1211584089 /nfs/dbraw/zinc/58/40/89/1211584089.db2.gz OGSNADIXBRGOPN-IYBDPMFKSA-N 2 1 374.489 0.348 10 0 FCAEMP O=C(Nc1cncc(F)c1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927833383 1211584217 /nfs/dbraw/zinc/58/42/17/1211584217.db2.gz ULVBIGGJVMZKJK-IYBDPMFKSA-N 2 1 361.421 0.586 10 0 FCAEMP O=C(Nc1cncc(F)c1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927833383 1211584220 /nfs/dbraw/zinc/58/42/20/1211584220.db2.gz ULVBIGGJVMZKJK-IYBDPMFKSA-N 2 1 361.421 0.586 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)cn2)CC[NH+]1C ZINC000928425378 1211601974 /nfs/dbraw/zinc/60/19/74/1211601974.db2.gz CGAJEJZOAHBHHX-SYQHCUMBSA-N 2 1 360.462 0.121 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)cn2)CC[N@@H+]1C ZINC000928425378 1211601975 /nfs/dbraw/zinc/60/19/75/1211601975.db2.gz CGAJEJZOAHBHHX-SYQHCUMBSA-N 2 1 360.462 0.121 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)cn2)CC[N@H+]1C ZINC000928425378 1211601977 /nfs/dbraw/zinc/60/19/77/1211601977.db2.gz CGAJEJZOAHBHHX-SYQHCUMBSA-N 2 1 360.462 0.121 10 0 FCAEMP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC000929169549 1211620587 /nfs/dbraw/zinc/62/05/87/1211620587.db2.gz YWTGXMUYVWASCE-GUXCAODWSA-N 2 1 374.485 0.943 10 0 FCAEMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC000929169549 1211620588 /nfs/dbraw/zinc/62/05/88/1211620588.db2.gz YWTGXMUYVWASCE-GUXCAODWSA-N 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CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001485054464 1263497966 /nfs/dbraw/zinc/49/79/66/1263497966.db2.gz DXCIPUOBWTYNSV-YESZJQIVSA-N 2 1 365.522 0.665 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001317013920 1263498474 /nfs/dbraw/zinc/49/84/74/1263498474.db2.gz QGDSLOWZSSIDCX-BPLDGKMQSA-N 2 1 367.494 0.047 10 0 FCAEMP CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001486143876 1263527781 /nfs/dbraw/zinc/52/77/81/1263527781.db2.gz FLKNQHMIYJRITF-CYJAXWMASA-N 2 1 350.507 0.966 10 0 FCAEMP CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001486143876 1263527788 /nfs/dbraw/zinc/52/77/88/1263527788.db2.gz FLKNQHMIYJRITF-CYJAXWMASA-N 2 1 350.507 0.966 10 0 FCAEMP CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001486143876 1263527794 /nfs/dbraw/zinc/52/77/94/1263527794.db2.gz FLKNQHMIYJRITF-CYJAXWMASA-N 2 1 350.507 0.966 10 0 FCAEMP 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ZINC001346176332 871685744 /nfs/dbraw/zinc/68/57/44/871685744.db2.gz CHBOWIFGNTZXCB-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)N1CC[NH+](C)CC1 ZINC001346573873 871911555 /nfs/dbraw/zinc/91/15/55/871911555.db2.gz NGDQXCWFPFHFIE-BZUAXINKSA-N 2 1 355.552 0.501 10 0 FCAEMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001347216282 872229201 /nfs/dbraw/zinc/22/92/01/872229201.db2.gz FUBLEWROLCGIDQ-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC001330081251 872452214 /nfs/dbraw/zinc/45/22/14/872452214.db2.gz HGKSKZQHBICSTB-YNEHKIRRSA-N 2 1 364.412 0.381 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC001330081251 872452219 /nfs/dbraw/zinc/45/22/19/872452219.db2.gz HGKSKZQHBICSTB-YNEHKIRRSA-N 2 1 364.412 0.381 10 0 FCAEMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001330086563 872455087 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1 364.412 0.523 10 0 FCAEMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC001331997818 873327828 /nfs/dbraw/zinc/32/78/28/873327828.db2.gz RNUHINBBTKXETF-NEPJUHHUSA-N 2 1 364.412 0.667 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332572646 873562380 /nfs/dbraw/zinc/56/23/80/873562380.db2.gz NLXJOPIZRMRYOB-CQSZACIVSA-N 2 1 350.467 0.183 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)Cc2cnn(C)c2)CC[N@H+]1C ZINC001332634542 873591413 /nfs/dbraw/zinc/59/14/13/873591413.db2.gz YHYKNIQDDIZEIQ-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cnn(C)c2)CC[NH+]1C ZINC001332634542 873591424 /nfs/dbraw/zinc/59/14/24/873591424.db2.gz YHYKNIQDDIZEIQ-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2cnn(C)c2)CC[NH+]1C ZINC001332634542 873591432 /nfs/dbraw/zinc/59/14/32/873591432.db2.gz YHYKNIQDDIZEIQ-IXDOHACOSA-N 2 1 351.495 0.402 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292264862 214089918 /nfs/dbraw/zinc/08/99/18/214089918.db2.gz YZXKAZRTINSOOI-APWZRJJASA-N 2 1 358.490 0.541 10 0 FCAEMP C[C@@H](CNC(=O)C[N@H+]1C[C@H](C)C[C@H](CO)C1)[NH+]1C[C@H](CO)C[C@H](C)C1 ZINC000930747627 674055247 /nfs/dbraw/zinc/05/52/47/674055247.db2.gz DWLICWMGWVTVPV-RSJGLCBASA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1C[C@H](C)C[C@H](CO)C1)[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000930747627 674055249 /nfs/dbraw/zinc/05/52/49/674055249.db2.gz DWLICWMGWVTVPV-RSJGLCBASA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1C[C@H](C)C[C@H](CO)C1)[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000930747627 674055251 /nfs/dbraw/zinc/05/52/51/674055251.db2.gz DWLICWMGWVTVPV-RSJGLCBASA-N 2 1 355.523 0.392 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930756390 674056193 /nfs/dbraw/zinc/05/61/93/674056193.db2.gz WHCKZVIHTOXYHE-KFWWJZLASA-N 2 1 356.536 0.529 10 0 FCAEMP 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10 0 FCAEMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654550235 492319654 /nfs/dbraw/zinc/31/96/54/492319654.db2.gz LGSWDPFJFRGBOM-CEXWTWQISA-N 2 1 358.486 0.969 10 0 FCAEMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654550235 492319658 /nfs/dbraw/zinc/31/96/58/492319658.db2.gz LGSWDPFJFRGBOM-CEXWTWQISA-N 2 1 358.486 0.969 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654550235 492319662 /nfs/dbraw/zinc/31/96/62/492319662.db2.gz LGSWDPFJFRGBOM-CEXWTWQISA-N 2 1 358.486 0.969 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499318 492323966 /nfs/dbraw/zinc/32/39/66/492323966.db2.gz IDDLQSBZEUVDQZ-RYQLBKOJSA-N 2 1 373.501 0.761 10 0 FCAEMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000647597043 492332268 /nfs/dbraw/zinc/33/22/68/492332268.db2.gz FKXGFEGYGHWUHW-JKSUJKDBSA-N 2 1 367.538 0.295 10 0 FCAEMP 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C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654963 492333361 /nfs/dbraw/zinc/33/33/61/492333361.db2.gz KIMQONJCDICPAJ-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654963 492333366 /nfs/dbraw/zinc/33/33/66/492333366.db2.gz KIMQONJCDICPAJ-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654963 492333368 /nfs/dbraw/zinc/33/33/68/492333368.db2.gz KIMQONJCDICPAJ-NXOAAHMSSA-N 2 1 356.511 0.630 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654679512 492337902 /nfs/dbraw/zinc/33/79/02/492337902.db2.gz XFJSTFFQXMCVMB-INIZCTEOSA-N 2 1 372.477 0.545 10 0 FCAEMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976976 492389816 /nfs/dbraw/zinc/38/98/16/492389816.db2.gz WNQYGUWHSWTPKO-OWCLPIDISA-N 2 1 350.507 0.824 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000642906559 492400552 /nfs/dbraw/zinc/40/05/52/492400552.db2.gz SAIOWWSMZVIDAK-TWMKSMIVSA-N 2 1 350.507 0.964 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642985347 492410947 /nfs/dbraw/zinc/41/09/47/492410947.db2.gz BQSHRGWCTYXOJX-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000655246260 492420490 /nfs/dbraw/zinc/42/04/90/492420490.db2.gz FJYHGAQJLZECML-NCOADZHNSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000628050869 492452206 /nfs/dbraw/zinc/45/22/06/492452206.db2.gz OLXRCBUPJFGNTF-LSDHHAIUSA-N 2 1 352.483 0.316 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000628050869 492452208 /nfs/dbraw/zinc/45/22/08/492452208.db2.gz OLXRCBUPJFGNTF-LSDHHAIUSA-N 2 1 352.483 0.316 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655915028 492487947 /nfs/dbraw/zinc/48/79/47/492487947.db2.gz KSUYIKHVLMXGCM-WDEREUQCSA-N 2 1 353.389 0.118 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655919353 492488771 /nfs/dbraw/zinc/48/87/71/492488771.db2.gz PVMQUASUMFWWEO-STQMWFEESA-N 3 1 353.433 0.934 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019546 492518935 /nfs/dbraw/zinc/51/89/35/492518935.db2.gz FUGYGCUYEJUSEO-ROUUACIJSA-N 2 1 373.501 0.811 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000649342845 492539662 /nfs/dbraw/zinc/53/96/62/492539662.db2.gz RUSZOBPMRNJTDS-UHFFFAOYSA-N 2 1 372.513 0.930 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000656084218 492545796 /nfs/dbraw/zinc/54/57/96/492545796.db2.gz WROHLZASUVYTAD-CWLKWCNXSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656086093 492547131 /nfs/dbraw/zinc/54/71/31/492547131.db2.gz QKODSKILMXRUEO-CAOSSQGBSA-N 2 1 354.495 0.153 10 0 FCAEMP C[NH+](C)CCN1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000649685162 492570918 /nfs/dbraw/zinc/57/09/18/492570918.db2.gz QIVLDVZHQLOGHI-UHFFFAOYSA-N 2 1 360.502 0.725 10 0 FCAEMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)CC(C)C ZINC000656289968 492572755 /nfs/dbraw/zinc/57/27/55/492572755.db2.gz WGSRKRHASHEWDV-YESZJQIVSA-N 2 1 368.522 0.137 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649742802 492577641 /nfs/dbraw/zinc/57/76/41/492577641.db2.gz RZBZOUPDUKTQDG-RBUKOAKNSA-N 2 1 361.486 0.980 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649742802 492577644 /nfs/dbraw/zinc/57/76/44/492577644.db2.gz RZBZOUPDUKTQDG-RBUKOAKNSA-N 2 1 361.486 0.980 10 0 FCAEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656306017 492581105 /nfs/dbraw/zinc/58/11/05/492581105.db2.gz VRNZXZDBKNZYGW-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656306017 492581110 /nfs/dbraw/zinc/58/11/10/492581110.db2.gz VRNZXZDBKNZYGW-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656306017 492581116 /nfs/dbraw/zinc/58/11/16/492581116.db2.gz VRNZXZDBKNZYGW-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000629570628 492648621 /nfs/dbraw/zinc/64/86/21/492648621.db2.gz FJRHQSLWGVCRBG-QGZVFWFLSA-N 2 1 351.447 0.977 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000629570628 492648622 /nfs/dbraw/zinc/64/86/22/492648622.db2.gz FJRHQSLWGVCRBG-QGZVFWFLSA-N 2 1 351.447 0.977 10 0 FCAEMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629594464 492657690 /nfs/dbraw/zinc/65/76/90/492657690.db2.gz CXNKNYBOJLUFBM-ZBFHGGJFSA-N 2 1 355.504 0.999 10 0 FCAEMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629793174 492674529 /nfs/dbraw/zinc/67/45/29/492674529.db2.gz AMRBLSGEZAJGBU-KDURUIRLSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000629805350 492681147 /nfs/dbraw/zinc/68/11/47/492681147.db2.gz YIWWYDXCFQZRJG-APMMZXSISA-N 2 1 374.529 0.920 10 0 FCAEMP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000657579844 492762465 /nfs/dbraw/zinc/76/24/65/492762465.db2.gz XZQQYRYTXHQEQZ-KZNAEPCWSA-N 2 1 363.506 0.884 10 0 FCAEMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657884530 492809509 /nfs/dbraw/zinc/80/95/09/492809509.db2.gz UVYJVOKDXYDHSF-MOPGFXCFSA-N 2 1 355.523 0.814 10 0 FCAEMP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2n1 ZINC000657980295 492824902 /nfs/dbraw/zinc/82/49/02/492824902.db2.gz AVRSVJLQAMVJOJ-HNNXBMFYSA-N 2 1 359.430 0.544 10 0 FCAEMP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCCCN3CCO)cc2n1 ZINC000657980295 492824903 /nfs/dbraw/zinc/82/49/03/492824903.db2.gz AVRSVJLQAMVJOJ-HNNXBMFYSA-N 2 1 359.430 0.544 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889310 492870722 /nfs/dbraw/zinc/87/07/22/492870722.db2.gz IGFKONVQCJPFTO-KURKYZTESA-N 2 1 352.523 0.533 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000631916842 492882309 /nfs/dbraw/zinc/88/23/09/492882309.db2.gz ASJXDGGXYMEOJI-ZWKOTPCHSA-N 2 1 367.515 0.459 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652169516 492889763 /nfs/dbraw/zinc/88/97/63/492889763.db2.gz DIGVHYZPVNODLC-LTIDMASMSA-N 2 1 354.495 0.635 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658461022 492903503 /nfs/dbraw/zinc/90/35/03/492903503.db2.gz TYGCJDPZXVEUKA-SFHVURJKSA-N 2 1 358.486 0.739 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000652292122 492907864 /nfs/dbraw/zinc/90/78/64/492907864.db2.gz YPYNZGDMCHOQNL-KRWDZBQOSA-N 2 1 359.474 0.512 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000658495703 492913882 /nfs/dbraw/zinc/91/38/82/492913882.db2.gz UOIXPJFEOBNRLP-KRWDZBQOSA-N 2 1 366.506 0.110 10 0 FCAEMP CCO[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@H]1C[NH3+] ZINC000652356401 492914436 /nfs/dbraw/zinc/91/44/36/492914436.db2.gz HOSJTXYLCXPOQH-WOJBJXKFSA-N 2 1 374.529 0.935 10 0 FCAEMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360635 492916304 /nfs/dbraw/zinc/91/63/04/492916304.db2.gz NJFRKTSFHZGVQS-ARFHVFGLSA-N 2 1 354.495 0.332 10 0 FCAEMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000626167519 492939939 /nfs/dbraw/zinc/93/99/39/492939939.db2.gz XKUQAIGQSQTMOF-QGZVFWFLSA-N 2 1 360.568 0.664 10 0 FCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000638429557 492945892 /nfs/dbraw/zinc/94/58/92/492945892.db2.gz KHIBVEJSAPCWSN-HBFSDRIKSA-N 2 1 360.502 0.686 10 0 FCAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000638429557 492945893 /nfs/dbraw/zinc/94/58/93/492945893.db2.gz KHIBVEJSAPCWSN-HBFSDRIKSA-N 2 1 360.502 0.686 10 0 FCAEMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000645622639 492946281 /nfs/dbraw/zinc/94/62/81/492946281.db2.gz OKGPNBCZYKRNPX-WMLDXEAASA-N 2 1 360.458 0.728 10 0 FCAEMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000652477351 492946502 /nfs/dbraw/zinc/94/65/02/492946502.db2.gz UNGAUIMEVPZCEI-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000652477351 492946505 /nfs/dbraw/zinc/94/65/05/492946505.db2.gz UNGAUIMEVPZCEI-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000652477351 492946508 /nfs/dbraw/zinc/94/65/08/492946508.db2.gz UNGAUIMEVPZCEI-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000652477351 492946510 /nfs/dbraw/zinc/94/65/10/492946510.db2.gz UNGAUIMEVPZCEI-INIZCTEOSA-N 2 1 370.538 0.384 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673280 492984598 /nfs/dbraw/zinc/98/45/98/492984598.db2.gz KBBUWTXFIQUJNG-ARFHVFGLSA-N 2 1 368.522 0.435 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)nc(C)[nH+]1 ZINC000652674380 492985308 /nfs/dbraw/zinc/98/53/08/492985308.db2.gz VEHXROJYYOTTIN-UHFFFAOYSA-N 2 1 374.489 0.424 10 0 FCAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@@H](C)O1 ZINC000652674815 492986080 /nfs/dbraw/zinc/98/60/80/492986080.db2.gz GONDPPJYXKITFY-ZIAGYGMSSA-N 2 1 354.495 0.236 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000652680984 492988380 /nfs/dbraw/zinc/98/83/80/492988380.db2.gz XDDFASHGMJPKKS-OAHLLOKOSA-N 2 1 362.474 0.107 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000652682883 492989266 /nfs/dbraw/zinc/98/92/66/492989266.db2.gz XZPTZSZIJXDQIU-NVXWUHKLSA-N 2 1 368.522 0.579 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000652711821 492997563 /nfs/dbraw/zinc/99/75/63/492997563.db2.gz BEZRBUAQVHJIRE-UHFFFAOYSA-N 2 1 358.486 0.966 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000652726189 493006065 /nfs/dbraw/zinc/00/60/65/493006065.db2.gz KPTGZCALTNRZJZ-UHFFFAOYSA-N 2 1 354.495 0.014 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000626795279 493020833 /nfs/dbraw/zinc/02/08/33/493020833.db2.gz RDWZGYIBDMRWAO-CVEARBPZSA-N 2 1 358.442 0.850 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[N@H+]1C1CC1 ZINC000626809164 493023297 /nfs/dbraw/zinc/02/32/97/493023297.db2.gz SBLXFNAPDQDTNE-WFASDCNBSA-N 2 1 358.442 0.849 10 0 FCAEMP C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632575139 493033224 /nfs/dbraw/zinc/03/32/24/493033224.db2.gz CAYSIQFLRMRDNT-HNNXBMFYSA-N 2 1 359.536 0.986 10 0 FCAEMP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632575140 493033783 /nfs/dbraw/zinc/03/37/83/493033783.db2.gz CAYSIQFLRMRDNT-OAHLLOKOSA-N 2 1 359.536 0.986 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658806930 493062768 /nfs/dbraw/zinc/06/27/68/493062768.db2.gz LDAHZXGOIJIIFJ-MRXNPFEDSA-N 2 1 359.474 0.591 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658806930 493062771 /nfs/dbraw/zinc/06/27/71/493062771.db2.gz LDAHZXGOIJIIFJ-MRXNPFEDSA-N 2 1 359.474 0.591 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[NH2+]1 ZINC000626930184 493065660 /nfs/dbraw/zinc/06/56/60/493065660.db2.gz MEHNJJUMKSLICI-HOTGVXAUSA-N 2 1 361.494 0.428 10 0 FCAEMP CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626976461 493073145 /nfs/dbraw/zinc/07/31/45/493073145.db2.gz 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[NH3+]C1(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000627011576 493080517 /nfs/dbraw/zinc/08/05/17/493080517.db2.gz DSNADCFUJNISBM-KRWDZBQOSA-N 2 1 362.474 0.560 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000627011658 493080560 /nfs/dbraw/zinc/08/05/60/493080560.db2.gz HIPQIGGZVZWODS-KRWDZBQOSA-N 2 1 350.463 0.418 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246939 493086187 /nfs/dbraw/zinc/08/61/87/493086187.db2.gz FCCSSRGZYFHQQM-WCXIOVBPSA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627197839 493105955 /nfs/dbraw/zinc/10/59/55/493105955.db2.gz FTOZEOYCGHQCAS-WBVHZDCISA-N 2 1 365.522 0.713 10 0 FCAEMP [NH3+]CCCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000627215705 493108970 /nfs/dbraw/zinc/10/89/70/493108970.db2.gz MYVRRBMXERJPRN-ZWKOTPCHSA-N 2 1 364.490 0.534 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC000658926460 493112252 /nfs/dbraw/zinc/11/22/52/493112252.db2.gz CCBCWYAZJDNKMR-YESZJQIVSA-N 2 1 366.506 0.108 10 0 FCAEMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633082323 493117384 /nfs/dbraw/zinc/11/73/84/493117384.db2.gz POHWPERSHYEGAB-MRXNPFEDSA-N 2 1 367.538 0.201 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633082323 493117386 /nfs/dbraw/zinc/11/73/86/493117386.db2.gz POHWPERSHYEGAB-MRXNPFEDSA-N 2 1 367.538 0.201 10 0 FCAEMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633082322 493117779 /nfs/dbraw/zinc/11/77/79/493117779.db2.gz POHWPERSHYEGAB-INIZCTEOSA-N 2 1 367.538 0.201 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633082322 493117781 /nfs/dbraw/zinc/11/77/81/493117781.db2.gz POHWPERSHYEGAB-INIZCTEOSA-N 2 1 367.538 0.201 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)ccn2)CC1 ZINC000627257235 493119760 /nfs/dbraw/zinc/11/97/60/493119760.db2.gz DHCBSQAZSJTCOQ-DLBZAZTESA-N 2 1 359.474 0.115 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)ccn2)CC1 ZINC000627257235 493119762 /nfs/dbraw/zinc/11/97/62/493119762.db2.gz DHCBSQAZSJTCOQ-DLBZAZTESA-N 2 1 359.474 0.115 10 0 FCAEMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633094666 493122827 /nfs/dbraw/zinc/12/28/27/493122827.db2.gz LLWFVBNCONPNEJ-JKSUJKDBSA-N 2 1 366.506 0.428 10 0 FCAEMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)n2)CC1 ZINC000627262235 493122919 /nfs/dbraw/zinc/12/29/19/493122919.db2.gz JZQGBHRXIGNYBH-CVEARBPZSA-N 2 1 359.474 0.115 10 0 FCAEMP [NH3+]C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C(F)(F)F ZINC000659025263 493127074 /nfs/dbraw/zinc/12/70/74/493127074.db2.gz PMKFYYQOQHUAHA-ZIAGYGMSSA-N 2 1 360.380 0.942 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024485 493127318 /nfs/dbraw/zinc/12/73/18/493127318.db2.gz DUPQOAQCIHZEKP-LSDHHAIUSA-N 2 1 373.423 0.991 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000659024485 493127319 /nfs/dbraw/zinc/12/73/19/493127319.db2.gz DUPQOAQCIHZEKP-LSDHHAIUSA-N 2 1 373.423 0.991 10 0 FCAEMP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659071954 493139130 /nfs/dbraw/zinc/13/91/30/493139130.db2.gz UPXMAWUCMPDFBA-KRWDZBQOSA-N 2 1 360.458 0.839 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000627298012 493140272 /nfs/dbraw/zinc/14/02/72/493140272.db2.gz YRNCRTOHEJUCBQ-JLSDUUJJSA-N 2 1 372.469 0.567 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000627298012 493140275 /nfs/dbraw/zinc/14/02/75/493140275.db2.gz YRNCRTOHEJUCBQ-JLSDUUJJSA-N 2 1 372.469 0.567 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627303115 493142406 /nfs/dbraw/zinc/14/24/06/493142406.db2.gz HVQBGKDXTXRFLX-CGTJXYLNSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C[C@H](C)[N@H+]1C ZINC000659082075 493145255 /nfs/dbraw/zinc/14/52/55/493145255.db2.gz DPTBHOZKCDXTJF-VBQJREDUSA-N 2 1 360.458 0.837 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C[C@H](C)[N@@H+]1C ZINC000659082075 493145259 /nfs/dbraw/zinc/14/52/59/493145259.db2.gz DPTBHOZKCDXTJF-VBQJREDUSA-N 2 1 360.458 0.837 10 0 FCAEMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627351328 493168868 /nfs/dbraw/zinc/16/88/68/493168868.db2.gz OTYVTPOXCBZKBN-QGZVFWFLSA-N 2 1 356.470 0.562 10 0 FCAEMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627351328 493168873 /nfs/dbraw/zinc/16/88/73/493168873.db2.gz OTYVTPOXCBZKBN-QGZVFWFLSA-N 2 1 356.470 0.562 10 0 FCAEMP CC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000627357635 493174369 /nfs/dbraw/zinc/17/43/69/493174369.db2.gz LLEZLOSFQVXWGV-JCGIZDLHSA-N 2 1 358.486 0.806 10 0 FCAEMP 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673990749 /nfs/dbraw/zinc/99/07/49/673990749.db2.gz QUMYQFHULCOYFY-OWCLPIDISA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929992452 673990751 /nfs/dbraw/zinc/99/07/51/673990751.db2.gz QUMYQFHULCOYFY-OWCLPIDISA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929992452 673990752 /nfs/dbraw/zinc/99/07/52/673990752.db2.gz QUMYQFHULCOYFY-OWCLPIDISA-N 2 1 366.531 0.283 10 0 FCAEMP C[C@@H](CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1CCCCC1 ZINC000930250640 674008505 /nfs/dbraw/zinc/00/85/05/674008505.db2.gz PQKLHWYRVHQDMJ-TXPKVOOTSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1C(=O)N=CNC1=O ZINC000900480733 675686812 /nfs/dbraw/zinc/68/68/12/675686812.db2.gz JAPXOAODOHXUKY-ZDUSSCGKSA-N 2 1 351.451 0.305 10 0 FCAEMP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)[C@@H]1CCS(=O)(=O)C1 ZINC000900980134 675736886 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KMKINUKHDXCXHV-YUELXQCFSA-N 2 1 352.458 0.572 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2ncnn2CCF)C2CC2)CC[N@@H+]1C ZINC001670475007 1169357731 /nfs/dbraw/zinc/35/77/31/1169357731.db2.gz KMKINUKHDXCXHV-YUELXQCFSA-N 2 1 352.458 0.572 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2ncnn2CCF)C2CC2)CC[N@H+]1C ZINC001670475007 1169357738 /nfs/dbraw/zinc/35/77/38/1169357738.db2.gz KMKINUKHDXCXHV-YUELXQCFSA-N 2 1 352.458 0.572 10 0 FCAEMP CC(C)NC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001266760748 1170392862 /nfs/dbraw/zinc/39/28/62/1170392862.db2.gz LWRFLFDQILHBEV-BZUAXINKSA-N 2 1 361.490 0.876 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897669363 1192840598 /nfs/dbraw/zinc/84/05/98/1192840598.db2.gz RWTORAWBVDLEKC-NVXWUHKLSA-N 2 1 371.485 0.719 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1c1cc[nH+]cc1 ZINC000897713702 1192843261 /nfs/dbraw/zinc/84/32/61/1192843261.db2.gz KYRAXVRJLPTXGT-BZUAXINKSA-N 2 1 359.474 0.718 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267241949 1178964497 /nfs/dbraw/zinc/96/44/97/1178964497.db2.gz QNKWELTZGQRZDF-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267241949 1178964522 /nfs/dbraw/zinc/96/45/22/1178964522.db2.gz QNKWELTZGQRZDF-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267241949 1178964552 /nfs/dbraw/zinc/96/45/52/1178964552.db2.gz QNKWELTZGQRZDF-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267241949 1178964576 /nfs/dbraw/zinc/96/45/76/1178964576.db2.gz QNKWELTZGQRZDF-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267241949 1178964598 /nfs/dbraw/zinc/96/45/98/1178964598.db2.gz QNKWELTZGQRZDF-QLFBSQMISA-N 2 1 369.510 0.389 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncn1C)C2 ZINC001719855098 1186484715 /nfs/dbraw/zinc/48/47/15/1186484715.db2.gz VUCPUCZDCNQGFP-PVAVHDDUSA-N 2 1 361.490 0.943 10 0 FCAEMP C[C@H](CC[NH2+]CC(=O)NCc1cccnc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268365742 1187466955 /nfs/dbraw/zinc/46/69/55/1187466955.db2.gz HVWGSJRZNDEJPX-BFYDXBDKSA-N 2 1 361.490 0.522 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)Nc2ccon2)C2CC2)CC[N@H+]1C ZINC001481932014 1187552717 /nfs/dbraw/zinc/55/27/17/1187552717.db2.gz SVUDOQRYMARBCI-DFHBCGBQSA-N 2 1 363.462 0.828 10 0 FCAEMP CC1=CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550457974 1189499242 /nfs/dbraw/zinc/49/92/42/1189499242.db2.gz JZQFSABWGWQRGM-KRWDZBQOSA-N 2 1 366.506 0.228 10 0 FCAEMP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000550457974 1189499260 /nfs/dbraw/zinc/49/92/60/1189499260.db2.gz JZQFSABWGWQRGM-KRWDZBQOSA-N 2 1 366.506 0.228 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000550457974 1189499279 /nfs/dbraw/zinc/49/92/79/1189499279.db2.gz JZQFSABWGWQRGM-KRWDZBQOSA-N 2 1 366.506 0.228 10 0 FCAEMP COCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001271191690 1190351605 /nfs/dbraw/zinc/35/16/05/1190351605.db2.gz GRQKAXNKUNNNQK-WSTZPKSXSA-N 2 1 361.486 0.531 10 0 FCAEMP COCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001271191689 1190351706 /nfs/dbraw/zinc/35/17/06/1190351706.db2.gz GRQKAXNKUNNNQK-HBFSDRIKSA-N 2 1 361.486 0.531 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000552364861 1193926546 /nfs/dbraw/zinc/92/65/46/1193926546.db2.gz FRHZITXKKIVGRA-DLBZAZTESA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000552364861 1193926550 /nfs/dbraw/zinc/92/65/50/1193926550.db2.gz FRHZITXKKIVGRA-DLBZAZTESA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000552364861 1193926554 /nfs/dbraw/zinc/92/65/54/1193926554.db2.gz FRHZITXKKIVGRA-DLBZAZTESA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000553276445 1193985131 /nfs/dbraw/zinc/98/51/31/1193985131.db2.gz BFKOBTASEFFFEC-DLBZAZTESA-N 2 1 368.522 0.452 10 0 FCAEMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000842180278 1194082047 /nfs/dbraw/zinc/08/20/47/1194082047.db2.gz LZFLXNBNBBOFSE-SOLBZPMBSA-N 2 1 368.522 0.726 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842187402 1194085064 /nfs/dbraw/zinc/08/50/64/1194085064.db2.gz WKEBAZUKUCSAIZ-QGZVFWFLSA-N 2 1 362.474 0.031 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000907287924 1195686880 /nfs/dbraw/zinc/68/68/80/1195686880.db2.gz JVNWPXHENWDDNG-NLWGTHIKSA-N 2 1 361.486 0.715 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000907292346 1195688554 /nfs/dbraw/zinc/68/85/54/1195688554.db2.gz QRXHAPZURYNCRX-UYAOXDASSA-N 2 1 361.486 0.716 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000907292346 1195688560 /nfs/dbraw/zinc/68/85/60/1195688560.db2.gz QRXHAPZURYNCRX-UYAOXDASSA-N 2 1 361.486 0.716 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000907292346 1195688565 /nfs/dbraw/zinc/68/85/65/1195688565.db2.gz QRXHAPZURYNCRX-UYAOXDASSA-N 2 1 361.486 0.716 10 0 FCAEMP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908135866 1195723977 /nfs/dbraw/zinc/72/39/77/1195723977.db2.gz ZNNJBAMXRHIQAA-PZJWPPBQSA-N 2 1 374.529 0.718 10 0 FCAEMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000911892413 1196318544 /nfs/dbraw/zinc/31/85/44/1196318544.db2.gz LRQWPFNNGDMRLD-XODKDNOYSA-N 2 1 373.497 0.943 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000911892413 1196318548 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0.279 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC001325237300 1264820427 /nfs/dbraw/zinc/82/04/27/1264820427.db2.gz UWDZEIBKGFMDKB-DLBZAZTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC001325237300 1264820444 /nfs/dbraw/zinc/82/04/44/1264820444.db2.gz UWDZEIBKGFMDKB-DLBZAZTESA-N 2 1 362.449 0.898 10 0 FCAEMP CN1CC[NH+](Cc2cccc(CNC(=O)N3CCOC4(C[NH2+]C4)C3)c2)CC1 ZINC001325354571 1264856495 /nfs/dbraw/zinc/85/64/95/1264856495.db2.gz MARPUSQMFJKZML-UHFFFAOYSA-N 2 1 373.501 0.318 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC001326146614 1265068686 /nfs/dbraw/zinc/06/86/86/1265068686.db2.gz HDDCBSSVKLVSOD-VJUNAUMWSA-N 2 1 362.449 0.883 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC001326146614 1265068692 /nfs/dbraw/zinc/06/86/92/1265068692.db2.gz HDDCBSSVKLVSOD-VJUNAUMWSA-N 2 1 362.449 0.883 10 0 FCAEMP 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/nfs/dbraw/zinc/63/42/77/1287634277.db2.gz JVAGIAAXMDPOPB-HRCADAONSA-N 2 1 350.507 0.728 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1O ZINC001682636128 1283732029 /nfs/dbraw/zinc/73/20/29/1283732029.db2.gz WCYSVXGWVSEQQY-IXDOHACOSA-N 2 1 366.506 0.033 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001683600921 1284056154 /nfs/dbraw/zinc/05/61/54/1284056154.db2.gz ZXQNWYLXFKTRGK-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001684631441 1284225538 /nfs/dbraw/zinc/22/55/38/1284225538.db2.gz NCJIYZVGFXMYRC-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001702425589 1285669437 /nfs/dbraw/zinc/66/94/37/1285669437.db2.gz UXYILCGTIFNDMM-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001702554879 1285722806 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0.881 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001685725408 1292611591 /nfs/dbraw/zinc/61/15/91/1292611591.db2.gz RDYIMYJCQCKPMU-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001686100014 1292767654 /nfs/dbraw/zinc/76/76/54/1292767654.db2.gz VYNRGNULMAGTDX-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001686100014 1292767664 /nfs/dbraw/zinc/76/76/64/1292767664.db2.gz VYNRGNULMAGTDX-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001686100014 1292767673 /nfs/dbraw/zinc/76/76/73/1292767673.db2.gz VYNRGNULMAGTDX-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC001686728726 1292951888 /nfs/dbraw/zinc/95/18/88/1292951888.db2.gz HKAFMAHJBNFBJN-SJORKVTESA-N 2 1 368.522 0.992 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC001686728726 1292951893 /nfs/dbraw/zinc/95/18/93/1292951893.db2.gz HKAFMAHJBNFBJN-SJORKVTESA-N 2 1 368.522 0.992 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC001687030264 1292974977 /nfs/dbraw/zinc/97/49/77/1292974977.db2.gz LIEXJWBBLBVKHB-GVDBMIGSSA-N 2 1 350.507 0.681 10 0 FCAEMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001118034780 847257128 /nfs/dbraw/zinc/25/71/28/847257128.db2.gz HYOVVQRYYRZXEA-UHOFOFEASA-N 2 1 350.438 0.801 10 0 FCAEMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001118034780 847257135 /nfs/dbraw/zinc/25/71/35/847257135.db2.gz HYOVVQRYYRZXEA-UHOFOFEASA-N 2 1 350.438 0.801 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[NH+]1CC[Si](C)(C)CC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC001118827362 847594926 /nfs/dbraw/zinc/59/49/26/847594926.db2.gz SXUYFTNYHIDVFX-WNRNVDISSA-N 2 1 374.598 0.858 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC001119776984 847973343 /nfs/dbraw/zinc/97/33/43/847973343.db2.gz OVNIFXLUCZHUNN-FZKCQIBNSA-N 2 1 368.547 0.671 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC001119776984 847973348 /nfs/dbraw/zinc/97/33/48/847973348.db2.gz OVNIFXLUCZHUNN-FZKCQIBNSA-N 2 1 368.547 0.671 10 0 FCAEMP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC001119845077 848001628 /nfs/dbraw/zinc/00/16/28/848001628.db2.gz JGEGFVLNWMQALC-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC001119845077 848001634 /nfs/dbraw/zinc/00/16/34/848001634.db2.gz JGEGFVLNWMQALC-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001119845077 848001635 /nfs/dbraw/zinc/00/16/35/848001635.db2.gz JGEGFVLNWMQALC-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001119845077 848001638 /nfs/dbraw/zinc/00/16/38/848001638.db2.gz JGEGFVLNWMQALC-LSDHHAIUSA-N 2 1 356.536 0.531 10 0 FCAEMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001123706157 848627383 /nfs/dbraw/zinc/62/73/83/848627383.db2.gz WIZKXTQGYPGKGU-DJIMGWMZSA-N 2 1 354.495 0.315 10 0 FCAEMP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001123706157 848627389 /nfs/dbraw/zinc/62/73/89/848627389.db2.gz WIZKXTQGYPGKGU-DJIMGWMZSA-N 2 1 354.495 0.315 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]Cc2nnnn2C)C(C)C)CC[N@H+]1C ZINC001277569989 861943506 /nfs/dbraw/zinc/94/35/06/861943506.db2.gz QKDIRWBDPQYPGH-RRFJBIMHSA-N 2 1 351.499 0.561 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001261377736 858533267 /nfs/dbraw/zinc/53/32/67/858533267.db2.gz DCOVHMNCJXVYLI-HZPDHXFCSA-N 2 1 350.438 0.755 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001261377736 858533269 /nfs/dbraw/zinc/53/32/69/858533269.db2.gz DCOVHMNCJXVYLI-HZPDHXFCSA-N 2 1 350.438 0.755 10 0 FCAEMP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC001262223505 858826326 /nfs/dbraw/zinc/82/63/26/858826326.db2.gz VOXMMBCGEROIBZ-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC001262223505 858826340 /nfs/dbraw/zinc/82/63/40/858826340.db2.gz VOXMMBCGEROIBZ-JKSUJKDBSA-N 2 1 368.547 0.673 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001264090736 859305968 /nfs/dbraw/zinc/30/59/68/859305968.db2.gz BHBWJLKJTUUUIY-IXDOHACOSA-N 2 1 350.507 0.633 10 0 FCAEMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264168424 859339378 /nfs/dbraw/zinc/33/93/78/859339378.db2.gz UFBVUTOBGWDZLW-OAGGEKHMSA-N 2 1 350.507 0.822 10 0 FCAEMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264168424 859339387 /nfs/dbraw/zinc/33/93/87/859339387.db2.gz UFBVUTOBGWDZLW-OAGGEKHMSA-N 2 1 350.507 0.822 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1CC)[NH+](C)C ZINC001264618462 859402829 /nfs/dbraw/zinc/40/28/29/859402829.db2.gz GSHJANQWMXUJEW-ZNMIVQPWSA-N 2 1 352.479 0.445 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001265114489 859452407 /nfs/dbraw/zinc/45/24/07/859452407.db2.gz BZTHFBIKFWZGAL-HZSPNIEDSA-N 2 1 355.483 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)[C@H](C)C(=O)NC(N)=O)CC[NH+]1C ZINC001265114489 859452412 /nfs/dbraw/zinc/45/24/12/859452412.db2.gz BZTHFBIKFWZGAL-HZSPNIEDSA-N 2 1 355.483 0.128 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)[C@H](C)C(=O)NC(N)=O)CC[NH+]1C ZINC001265114489 859452416 /nfs/dbraw/zinc/45/24/16/859452416.db2.gz BZTHFBIKFWZGAL-HZSPNIEDSA-N 2 1 355.483 0.128 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265776721 859465539 /nfs/dbraw/zinc/46/55/39/859465539.db2.gz AQUGUFWDRYBSMX-MELADBBJSA-N 2 1 355.483 0.047 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001265777709 859466158 /nfs/dbraw/zinc/46/61/58/859466158.db2.gz SFXMIDAQECOPIO-GRYCIOLGSA-N 2 1 354.480 0.301 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CCS(C)(=O)=O)C2CC2)CC[N@H+]1C ZINC001267854297 859518282 /nfs/dbraw/zinc/51/82/82/859518282.db2.gz WDMIMNINZJEQFV-UXLLHSPISA-N 2 1 359.536 0.636 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001268307773 859528540 /nfs/dbraw/zinc/52/85/40/859528540.db2.gz KFXHRAFVPVYBSA-QLFBSQMISA-N 2 1 350.463 0.849 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001268307773 859528545 /nfs/dbraw/zinc/52/85/45/859528545.db2.gz KFXHRAFVPVYBSA-QLFBSQMISA-N 2 1 350.463 0.849 10 0 FCAEMP CCN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451525 859533366 /nfs/dbraw/zinc/53/33/66/859533366.db2.gz LXCKYYRDLCTNGD-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CCc1nocc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145930 859906242 /nfs/dbraw/zinc/90/62/42/859906242.db2.gz QKBVMQVLADLQPR-SIIHOXLZSA-N 2 1 350.463 0.630 10 0 FCAEMP CCc1nocc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271145930 859906251 /nfs/dbraw/zinc/90/62/51/859906251.db2.gz QKBVMQVLADLQPR-SIIHOXLZSA-N 2 1 350.463 0.630 10 0 FCAEMP CCc1nocc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271145930 859906257 /nfs/dbraw/zinc/90/62/57/859906257.db2.gz QKBVMQVLADLQPR-SIIHOXLZSA-N 2 1 350.463 0.630 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F)CC[N@H+]1C ZINC001272169687 860105418 /nfs/dbraw/zinc/10/54/18/860105418.db2.gz VAEHCHYJWYPFCN-FRRDWIJNSA-N 2 1 355.401 0.050 10 0 FCAEMP CCCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001272413215 860150899 /nfs/dbraw/zinc/15/08/99/860150899.db2.gz AGHYCQURUKKSFU-JHJVBQTASA-N 2 1 355.508 0.398 10 0 FCAEMP CCCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001272413215 860150913 /nfs/dbraw/zinc/15/09/13/860150913.db2.gz AGHYCQURUKKSFU-JHJVBQTASA-N 2 1 355.508 0.398 10 0 FCAEMP C[C@@H](CC[NH2+]CC(=O)N(C)c1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272782023 860256254 /nfs/dbraw/zinc/25/62/54/860256254.db2.gz LCWNVOZPZFDQMK-BFHYXJOUSA-N 2 1 367.519 0.931 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCN3CCNC3=O)CCC2)CC[N@H+]1C ZINC001273084155 860368493 /nfs/dbraw/zinc/36/84/93/860368493.db2.gz DHUWSBGDJAMOQF-LSDHHAIUSA-N 2 1 351.495 0.370 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCc3ccns3)C2)CC[N@H+]1C ZINC001273875232 860625135 /nfs/dbraw/zinc/62/51/35/860625135.db2.gz DNUUOGHZQOHMAF-KYJSFNMBSA-N 2 1 366.531 0.969 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001281614064 863539773 /nfs/dbraw/zinc/53/97/73/863539773.db2.gz TVXFJOKKDDBDFT-BRWVUGGUSA-N 2 1 353.507 0.696 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001281847439 863817565 /nfs/dbraw/zinc/81/75/65/863817565.db2.gz YZBFBNVJZHFQBJ-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1 ZINC001282386557 864239477 /nfs/dbraw/zinc/23/94/77/864239477.db2.gz RPJZSJKWBGOLLI-PMPSAXMXSA-N 2 1 354.495 0.153 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1 ZINC001282386557 864239489 /nfs/dbraw/zinc/23/94/89/864239489.db2.gz RPJZSJKWBGOLLI-PMPSAXMXSA-N 2 1 354.495 0.153 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)CC[N@H+]1C ZINC001282681397 864397501 /nfs/dbraw/zinc/39/75/01/864397501.db2.gz UPOJCVZJPYDOIV-MTSZKFMLSA-N 2 1 350.507 0.917 10 0 FCAEMP Cc1nnc([C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001284868676 864600394 /nfs/dbraw/zinc/60/03/94/864600394.db2.gz CPZJCNYBXDMERE-GZBFAFLISA-N 2 1 352.483 0.579 10 0 FCAEMP Cc1nnc([C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001284868676 864600401 /nfs/dbraw/zinc/60/04/01/864600401.db2.gz CPZJCNYBXDMERE-GZBFAFLISA-N 2 1 352.483 0.579 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC001285563499 864636668 /nfs/dbraw/zinc/63/66/68/864636668.db2.gz LIBSMECLBJKADZ-MULDZMIYSA-N 2 1 350.507 0.991 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001286195733 864682205 /nfs/dbraw/zinc/68/22/05/864682205.db2.gz MDWCZXCFMXRRIW-BHYGNILZSA-N 2 1 350.507 0.776 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001288992979 864840842 /nfs/dbraw/zinc/84/08/42/864840842.db2.gz KIZVSRCXKBRQOH-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289393475 865045178 /nfs/dbraw/zinc/04/51/78/865045178.db2.gz SQAGWXKQQZRWMA-BZUAXINKSA-N 2 1 350.507 0.776 10 0 FCAEMP 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/nfs/dbraw/zinc/37/13/93/209371393.db2.gz CSMKJLOSKBQXPE-CVEARBPZSA-N 2 1 351.495 0.465 10 0 FCAEMP C[C@H](O)CN(C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H](C)CO ZINC000190618629 209275467 /nfs/dbraw/zinc/27/54/67/209275467.db2.gz YBKREDMPPASTCY-IRXDYDNUSA-N 2 1 370.538 0.710 10 0 FCAEMP O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188983601 209242296 /nfs/dbraw/zinc/24/22/96/209242296.db2.gz DAWQKLFXIGKSGH-CABCVRRESA-N 2 1 355.442 0.421 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187674615 209217179 /nfs/dbraw/zinc/21/71/79/209217179.db2.gz GVUCBKOTNCIHNY-WSTZPKSXSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187674615 209217180 /nfs/dbraw/zinc/21/71/80/209217180.db2.gz GVUCBKOTNCIHNY-WSTZPKSXSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187674615 209217185 /nfs/dbraw/zinc/21/71/85/209217185.db2.gz GVUCBKOTNCIHNY-WSTZPKSXSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187674615 209217188 /nfs/dbraw/zinc/21/71/88/209217188.db2.gz GVUCBKOTNCIHNY-WSTZPKSXSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276282646 212203898 /nfs/dbraw/zinc/20/38/98/212203898.db2.gz FSCWFSXZIPSNOV-YWZLYKJASA-N 2 1 374.485 0.078 10 0 FCAEMP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000931479920 674116875 /nfs/dbraw/zinc/11/68/75/674116875.db2.gz HBUJENILADDGGH-AWEZNQCLSA-N 2 1 355.479 0.318 10 0 FCAEMP C[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H]2CCC[C@H]21 ZINC000375855100 217325482 /nfs/dbraw/zinc/32/54/82/217325482.db2.gz YIQBLWDZSNUCSZ-VVLHAWIVSA-N 2 1 359.536 0.937 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H]2CCC[C@H]21 ZINC000375855100 217325485 /nfs/dbraw/zinc/32/54/85/217325485.db2.gz YIQBLWDZSNUCSZ-VVLHAWIVSA-N 2 1 359.536 0.937 10 0 FCAEMP C[C@@H](NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H](C)[NH3+] ZINC000417546054 245706613 /nfs/dbraw/zinc/70/66/13/245706613.db2.gz LEYMENBMRZRCQL-JJRVBVJISA-N 2 1 361.490 0.919 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000418941009 245919010 /nfs/dbraw/zinc/91/90/10/245919010.db2.gz UOLBLWRQDGWJAL-SFHVURJKSA-N 2 1 373.501 0.793 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000419190555 246043709 /nfs/dbraw/zinc/04/37/09/246043709.db2.gz MTXRDKOWAQLZLU-UHFFFAOYSA-N 2 1 367.538 0.297 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212792 246057863 /nfs/dbraw/zinc/05/78/63/246057863.db2.gz VFTPTWXSAOMYDC-NJAFHUGGSA-N 2 1 358.486 0.881 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419403133 246136332 /nfs/dbraw/zinc/13/63/32/246136332.db2.gz RJKBAJFQVRWBPJ-OAHLLOKOSA-N 2 1 350.488 0.185 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419403133 246136336 /nfs/dbraw/zinc/13/63/36/246136336.db2.gz RJKBAJFQVRWBPJ-OAHLLOKOSA-N 2 1 350.488 0.185 10 0 FCAEMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419428090 246160428 /nfs/dbraw/zinc/16/04/28/246160428.db2.gz SQNUXOIDCWNSTJ-KDURUIRLSA-N 2 1 370.497 0.904 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000419520255 246189520 /nfs/dbraw/zinc/18/95/20/246189520.db2.gz HNRIBARFQVJDSP-VMWRSERWSA-N 2 1 373.501 0.791 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[N@@H+](C)C1CC1 ZINC000419585149 246211075 /nfs/dbraw/zinc/21/10/75/246211075.db2.gz LLGFLBZLWMYTLB-MOFKGGKKSA-N 2 1 362.518 0.855 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000419540082 246196680 /nfs/dbraw/zinc/19/66/80/246196680.db2.gz ZHIYLYBOCZMECU-QAPCUYQASA-N 2 1 358.486 0.834 10 0 FCAEMP CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419831357 246310391 /nfs/dbraw/zinc/31/03/91/246310391.db2.gz LPXIZFOFEFRKLK-DLBZAZTESA-N 2 1 367.538 0.247 10 0 FCAEMP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419853266 246324500 /nfs/dbraw/zinc/32/45/00/246324500.db2.gz DXNQUGOTPIJFIW-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419933803 246376151 /nfs/dbraw/zinc/37/61/51/246376151.db2.gz FPQNAGXEQHBXSC-HNNXBMFYSA-N 2 1 354.495 0.062 10 0 FCAEMP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419961351 246389866 /nfs/dbraw/zinc/38/98/66/246389866.db2.gz YPOHTTUDGXVXBN-OAHLLOKOSA-N 2 1 364.515 0.693 10 0 FCAEMP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423707536 247118716 /nfs/dbraw/zinc/11/87/16/247118716.db2.gz OHEAKFRWGIEJTD-KRWDZBQOSA-N 2 1 374.485 0.721 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423707536 247118726 /nfs/dbraw/zinc/11/87/26/247118726.db2.gz OHEAKFRWGIEJTD-KRWDZBQOSA-N 2 1 374.485 0.721 10 0 FCAEMP O=C(C[N@H+]1CCC[C@@H]1CN1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000441412113 248251028 /nfs/dbraw/zinc/25/10/28/248251028.db2.gz VQOBTDUBULFFIE-GOSISDBHSA-N 2 1 350.507 0.526 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452387991 249316096 /nfs/dbraw/zinc/31/60/96/249316096.db2.gz ISWQYWRFTQYBBY-MOPGFXCFSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452387991 249316101 /nfs/dbraw/zinc/31/61/01/249316101.db2.gz ISWQYWRFTQYBBY-MOPGFXCFSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452387991 249316104 /nfs/dbraw/zinc/31/61/04/249316104.db2.gz ISWQYWRFTQYBBY-MOPGFXCFSA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452387991 249316109 /nfs/dbraw/zinc/31/61/09/249316109.db2.gz ISWQYWRFTQYBBY-MOPGFXCFSA-N 2 1 361.486 0.850 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000931818419 674136810 /nfs/dbraw/zinc/13/68/10/674136810.db2.gz FNIKMUUDYJZWCP-KKUMJFAQSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000931818419 674136811 /nfs/dbraw/zinc/13/68/11/674136811.db2.gz FNIKMUUDYJZWCP-KKUMJFAQSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000931818419 674136813 /nfs/dbraw/zinc/13/68/13/674136813.db2.gz FNIKMUUDYJZWCP-KKUMJFAQSA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000931818419 674136815 /nfs/dbraw/zinc/13/68/15/674136815.db2.gz FNIKMUUDYJZWCP-KKUMJFAQSA-N 2 1 368.547 0.671 10 0 FCAEMP NC(=O)N[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)c2)C1 ZINC000270711981 211254521 /nfs/dbraw/zinc/25/45/21/211254521.db2.gz ZUCWUIJFPYHTDH-HZPDHXFCSA-N 2 1 360.462 0.172 10 0 FCAEMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@H]1C ZINC000469844966 250008338 /nfs/dbraw/zinc/00/83/38/250008338.db2.gz XWACQZDSMLPDDQ-HRCADAONSA-N 2 1 355.479 0.343 10 0 FCAEMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C ZINC000469844966 250008341 /nfs/dbraw/zinc/00/83/41/250008341.db2.gz XWACQZDSMLPDDQ-HRCADAONSA-N 2 1 355.479 0.343 10 0 FCAEMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[C@H]1C ZINC000469844966 250008343 /nfs/dbraw/zinc/00/83/43/250008343.db2.gz XWACQZDSMLPDDQ-HRCADAONSA-N 2 1 355.479 0.343 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000471637303 250111973 /nfs/dbraw/zinc/11/19/73/250111973.db2.gz VUQCEHVWKYZHEV-QGZVFWFLSA-N 2 1 355.527 0.376 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000931820560 674138825 /nfs/dbraw/zinc/13/88/25/674138825.db2.gz SGSWKBZCRZRGFK-RBSFLKMASA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000931820560 674138826 /nfs/dbraw/zinc/13/88/26/674138826.db2.gz SGSWKBZCRZRGFK-RBSFLKMASA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931820560 674138827 /nfs/dbraw/zinc/13/88/27/674138827.db2.gz SGSWKBZCRZRGFK-RBSFLKMASA-N 2 1 368.547 0.671 10 0 FCAEMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931820560 674138828 /nfs/dbraw/zinc/13/88/28/674138828.db2.gz SGSWKBZCRZRGFK-RBSFLKMASA-N 2 1 368.547 0.671 10 0 FCAEMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473786200 250251573 /nfs/dbraw/zinc/25/15/73/250251573.db2.gz OGXOSVXUGCJKOZ-INIZCTEOSA-N 2 1 353.511 0.524 10 0 FCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473786200 250251577 /nfs/dbraw/zinc/25/15/77/250251577.db2.gz OGXOSVXUGCJKOZ-INIZCTEOSA-N 2 1 353.511 0.524 10 0 FCAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473880772 250254539 /nfs/dbraw/zinc/25/45/39/250254539.db2.gz BZAAHQNMYOFBCR-INIZCTEOSA-N 2 1 353.511 0.666 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[NH+](C3CC3)CC2)C1 ZINC000061041297 208012398 /nfs/dbraw/zinc/01/23/98/208012398.db2.gz HBZUKZYXLOAXMA-GOSISDBHSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[N@@H+](C3CC3)CC2)C1 ZINC000061041297 208012404 /nfs/dbraw/zinc/01/24/04/208012404.db2.gz HBZUKZYXLOAXMA-GOSISDBHSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC[N@H+](C3CC3)CC2)C1 ZINC000061041297 208012410 /nfs/dbraw/zinc/01/24/10/208012410.db2.gz HBZUKZYXLOAXMA-GOSISDBHSA-N 2 1 352.523 0.630 10 0 FCAEMP CC[N@H+](C)C[C@H]1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000072859271 208042181 /nfs/dbraw/zinc/04/21/81/208042181.db2.gz RODSHJAJOZOWGV-CQSZACIVSA-N 2 1 362.478 0.097 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000072859271 208042186 /nfs/dbraw/zinc/04/21/86/208042186.db2.gz RODSHJAJOZOWGV-CQSZACIVSA-N 2 1 362.478 0.097 10 0 FCAEMP CC[NH+](C)C[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000072859271 208042192 /nfs/dbraw/zinc/04/21/92/208042192.db2.gz RODSHJAJOZOWGV-CQSZACIVSA-N 2 1 362.478 0.097 10 0 FCAEMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000072859271 208042197 /nfs/dbraw/zinc/04/21/97/208042197.db2.gz RODSHJAJOZOWGV-CQSZACIVSA-N 2 1 362.478 0.097 10 0 FCAEMP C[C@@H](CN1CCOCC1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000091514316 208138165 /nfs/dbraw/zinc/13/81/65/208138165.db2.gz OJWQPHIYJIXYAW-KRWDZBQOSA-N 2 1 352.523 0.583 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+](C4CCOCC4)CC3)ccn2)CC1 ZINC000082991913 208105329 /nfs/dbraw/zinc/10/53/29/208105329.db2.gz MEQWZJMHPNPVLF-UHFFFAOYSA-N 2 1 373.501 0.770 10 0 FCAEMP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000106163930 208218437 /nfs/dbraw/zinc/21/84/37/208218437.db2.gz CSZYSGOLAIHSOB-HNNXBMFYSA-N 2 1 361.490 0.754 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000111867136 208287843 /nfs/dbraw/zinc/28/78/43/208287843.db2.gz KVLPXUVCRYXJAY-SFHVURJKSA-N 2 1 368.522 0.851 10 0 FCAEMP Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000121248075 208398568 /nfs/dbraw/zinc/39/85/68/208398568.db2.gz CUQPDEYPOHWRFQ-UHFFFAOYSA-N 2 1 358.486 0.963 10 0 FCAEMP COC(=O)[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+](C)C1 ZINC000413521145 533478240 /nfs/dbraw/zinc/47/82/40/533478240.db2.gz UJJSKQIBAVRQGL-FHERZECASA-N 2 1 352.479 0.750 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000178507675 229222453 /nfs/dbraw/zinc/22/24/53/229222453.db2.gz SEDYLYCXOTWWPV-FQEVSTJZSA-N 2 1 374.529 0.767 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000554256867 491189385 /nfs/dbraw/zinc/18/93/85/491189385.db2.gz MMWNNNWHKNGIBA-WMLDXEAASA-N 2 1 350.507 0.824 10 0 FCAEMP O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCC[NH2+]CC1 ZINC000312938900 488895960 /nfs/dbraw/zinc/89/59/60/488895960.db2.gz FYIMFURHORYYDU-GBESFXJTSA-N 2 1 370.497 0.835 10 0 FCAEMP CN1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)[C@H]1c1ccccc1 ZINC000288064542 488939378 /nfs/dbraw/zinc/93/93/78/488939378.db2.gz ADXQBFBBJUAQSY-ZWKOTPCHSA-N 2 1 356.470 0.855 10 0 FCAEMP CN(CC(=O)N1CCOCC1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969139 488050978 /nfs/dbraw/zinc/05/09/78/488050978.db2.gz KWTVXKRYEXWKJP-UHFFFAOYSA-N 2 1 366.506 0.111 10 0 FCAEMP COCC[N@@H+]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000364516982 488967145 /nfs/dbraw/zinc/96/71/45/488967145.db2.gz PLBGMHFLBYBBMV-UHFFFAOYSA-N 2 1 374.529 0.985 10 0 FCAEMP COCC[N@H+]1CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000364516982 488967150 /nfs/dbraw/zinc/96/71/50/488967150.db2.gz PLBGMHFLBYBBMV-UHFFFAOYSA-N 2 1 374.529 0.985 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000074367031 488391925 /nfs/dbraw/zinc/39/19/25/488391925.db2.gz ITXPZZUQHNWEMF-HZPDHXFCSA-N 2 1 353.511 0.665 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCCOC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000185047765 488398952 /nfs/dbraw/zinc/39/89/52/488398952.db2.gz BUAZKYWGWSRASH-SJLPKXTDSA-N 2 1 370.538 0.974 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000075969096 488400776 /nfs/dbraw/zinc/40/07/76/488400776.db2.gz QVDNZYRGULPRQL-GOSISDBHSA-N 2 1 352.523 0.774 10 0 FCAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000186371701 488406223 /nfs/dbraw/zinc/40/62/23/488406223.db2.gz HZKKIUSVVVDKBR-DLBZAZTESA-N 2 1 370.538 0.972 10 0 FCAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000226564575 488451594 /nfs/dbraw/zinc/45/15/94/488451594.db2.gz VZMUYFAGRJXIGE-QRVBRYPASA-N 2 1 355.523 0.645 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000226564575 488451597 /nfs/dbraw/zinc/45/15/97/488451597.db2.gz VZMUYFAGRJXIGE-QRVBRYPASA-N 2 1 355.523 0.645 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1=O ZINC000247021335 488480565 /nfs/dbraw/zinc/48/05/65/488480565.db2.gz MZKVNRORHIHQNW-GVDBMIGSSA-N 2 1 366.506 0.108 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000248065491 488493220 /nfs/dbraw/zinc/49/32/20/488493220.db2.gz PPSYGPCACWBQAC-HKUYNNGSSA-N 2 1 373.501 0.895 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000248065491 488493223 /nfs/dbraw/zinc/49/32/23/488493223.db2.gz PPSYGPCACWBQAC-HKUYNNGSSA-N 2 1 373.501 0.895 10 0 FCAEMP C[C@H](NC(=O)CN(C)CC(=O)N1CCNCC1)c1ccccc1Cl ZINC000261864194 488538969 /nfs/dbraw/zinc/53/89/69/488538969.db2.gz KQEPZRLMUPSSKQ-ZDUSSCGKSA-N 2 1 352.866 0.881 10 0 FCAEMP NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261944158 488542943 /nfs/dbraw/zinc/54/29/43/488542943.db2.gz NGDYTYRDMSFKER-BRWVUGGUSA-N 2 1 353.488 0.623 10 0 FCAEMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261962858 488544013 /nfs/dbraw/zinc/54/40/13/488544013.db2.gz PSTWBSSENLEVBR-BBWFWOEESA-N 2 1 353.488 0.841 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)NCCCN2CCOCC2)C[C@@H]1CC ZINC000117023431 488550237 /nfs/dbraw/zinc/55/02/37/488550237.db2.gz ZGMGLJXNBBUJRS-KRWDZBQOSA-N 2 1 356.511 0.851 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000117475880 488551465 /nfs/dbraw/zinc/55/14/65/488551465.db2.gz GBBSLOJBIHGPQM-GOSISDBHSA-N 2 1 369.554 0.765 10 0 FCAEMP CC[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1CCOC ZINC000120950623 488563872 /nfs/dbraw/zinc/56/38/72/488563872.db2.gz OQGNQQJFKVHQIC-GOSISDBHSA-N 2 1 362.522 0.771 10 0 FCAEMP CC[C@@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1CCOC ZINC000120950623 488563875 /nfs/dbraw/zinc/56/38/75/488563875.db2.gz OQGNQQJFKVHQIC-GOSISDBHSA-N 2 1 362.522 0.771 10 0 FCAEMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH2+]C)c3cnn(C)c3)cn2)CC1 ZINC000262386183 488567648 /nfs/dbraw/zinc/56/76/48/488567648.db2.gz NOLGORMMHHYQMY-GOSISDBHSA-N 2 1 371.489 0.534 10 0 FCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000131466884 488646239 /nfs/dbraw/zinc/64/62/39/488646239.db2.gz YGWVVACCIFIFSI-RDJZCZTQSA-N 2 1 361.552 0.683 10 0 FCAEMP CCC[C@@H](C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000152966994 488725825 /nfs/dbraw/zinc/72/58/25/488725825.db2.gz PJDJRNRETWSDDK-MSOLQXFVSA-N 2 1 354.539 0.970 10 0 FCAEMP CC[NH+]1CCC[C@@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000153372822 488730451 /nfs/dbraw/zinc/73/04/51/488730451.db2.gz DIOSPPXBPPLCET-HZPDHXFCSA-N 2 1 354.495 0.204 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266870789 488739168 /nfs/dbraw/zinc/73/91/68/488739168.db2.gz XNWPOZFDEKKKLV-HXUWFJFHSA-N 2 1 374.529 0.983 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266870789 488739170 /nfs/dbraw/zinc/73/91/70/488739170.db2.gz XNWPOZFDEKKKLV-HXUWFJFHSA-N 2 1 374.529 0.983 10 0 FCAEMP C[NH+](C)CCOc1ccccc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000172199886 488831281 /nfs/dbraw/zinc/83/12/81/488831281.db2.gz SNTAXSYAUGDZAM-UHFFFAOYSA-N 2 1 362.474 0.521 10 0 FCAEMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173818284 488845671 /nfs/dbraw/zinc/84/56/71/488845671.db2.gz OWSJAMGZATXMRQ-HZPDHXFCSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173818284 488845672 /nfs/dbraw/zinc/84/56/72/488845672.db2.gz OWSJAMGZATXMRQ-HZPDHXFCSA-N 2 1 351.495 0.419 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000175749432 488855481 /nfs/dbraw/zinc/85/54/81/488855481.db2.gz XHQVEMZGGBLTPL-SJLPKXTDSA-N 2 1 368.522 0.849 10 0 FCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000177606835 488859509 /nfs/dbraw/zinc/85/95/09/488859509.db2.gz ZMORJOBYTWWRPO-LSDHHAIUSA-N 2 1 362.474 0.600 10 0 FCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000177606835 488859510 /nfs/dbraw/zinc/85/95/10/488859510.db2.gz ZMORJOBYTWWRPO-LSDHHAIUSA-N 2 1 362.474 0.600 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000570219479 491225258 /nfs/dbraw/zinc/22/52/58/491225258.db2.gz MNOVWQZMUUHRND-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH+](C)CCCNC(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1O ZINC000281190402 489059821 /nfs/dbraw/zinc/05/98/21/489059821.db2.gz ORHCSVKXTPTGGW-UHFFFAOYSA-N 2 1 350.463 0.755 10 0 FCAEMP COC[C@H](C)OC[C@H](O)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000365711374 489103134 /nfs/dbraw/zinc/10/31/34/489103134.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 1 366.502 0.968 10 0 FCAEMP COC[C@H](C)OC[C@H](O)CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365711374 489103138 /nfs/dbraw/zinc/10/31/38/489103138.db2.gz KRGXZYPWAFAWDV-SXLOBPIMSA-N 2 1 366.502 0.968 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000563456266 491248839 /nfs/dbraw/zinc/24/88/39/491248839.db2.gz FHJFGBGJIZSYCI-YOEHRIQHSA-N 2 1 365.522 0.759 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000363521440 489475187 /nfs/dbraw/zinc/47/51/87/489475187.db2.gz ZRYWLQLQUUFZKR-IAGOWNOFSA-N 2 1 359.474 0.426 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423214270 489503580 /nfs/dbraw/zinc/50/35/80/489503580.db2.gz LBAGENOGFYPQIV-DNVCBOLYSA-N 2 1 350.507 0.907 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000451668405 489516101 /nfs/dbraw/zinc/51/61/01/489516101.db2.gz LBLPQTPBKWZYAW-MRXNPFEDSA-N 2 1 355.504 0.873 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000451668405 489516103 /nfs/dbraw/zinc/51/61/03/489516103.db2.gz LBLPQTPBKWZYAW-MRXNPFEDSA-N 2 1 355.504 0.873 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000451820804 489525553 /nfs/dbraw/zinc/52/55/53/489525553.db2.gz FCPYVORQXPJZGE-ROUUACIJSA-N 2 1 354.539 0.876 10 0 FCAEMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000452082369 489543765 /nfs/dbraw/zinc/54/37/65/489543765.db2.gz FJIHQPLDKRTSDR-UHFFFAOYSA-N 2 1 360.506 0.979 10 0 FCAEMP C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000427142975 489596453 /nfs/dbraw/zinc/59/64/53/489596453.db2.gz LFDKKQTUUDTWOW-ZWKOTPCHSA-N 2 1 352.523 0.726 10 0 FCAEMP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C[C@H](C)O1 ZINC000457573097 489650168 /nfs/dbraw/zinc/65/01/68/489650168.db2.gz JAWHYJKKNBDXQM-BBWFWOEESA-N 2 1 356.511 0.632 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C[C@H](C)O1 ZINC000457573097 489650171 /nfs/dbraw/zinc/65/01/71/489650171.db2.gz JAWHYJKKNBDXQM-BBWFWOEESA-N 2 1 356.511 0.632 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C[C@H](C)O1 ZINC000457573097 489650174 /nfs/dbraw/zinc/65/01/74/489650174.db2.gz JAWHYJKKNBDXQM-BBWFWOEESA-N 2 1 356.511 0.632 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)N1CCN(CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457619855 489651575 /nfs/dbraw/zinc/65/15/75/489651575.db2.gz POSGKCSYNQVPID-WMZOPIPTSA-N 2 1 370.538 0.831 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417417156 489651959 /nfs/dbraw/zinc/65/19/59/489651959.db2.gz ADNJLZJGCBFCTD-RHSMWYFYSA-N 2 1 357.474 0.272 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417417156 489651960 /nfs/dbraw/zinc/65/19/60/489651960.db2.gz ADNJLZJGCBFCTD-RHSMWYFYSA-N 2 1 357.474 0.272 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000555734802 491269072 /nfs/dbraw/zinc/26/90/72/491269072.db2.gz NPGUJCATHIKAJB-UHFFFAOYSA-N 2 1 350.507 0.993 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417564172 489658906 /nfs/dbraw/zinc/65/89/06/489658906.db2.gz IIUNQDONXSSFAL-HOTGVXAUSA-N 2 1 369.510 0.126 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417748425 489664054 /nfs/dbraw/zinc/66/40/54/489664054.db2.gz IFFQJTKSXCSHAS-UHFFFAOYSA-N 2 1 355.527 0.470 10 0 FCAEMP COCCC[N@H+](C)CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417748425 489664057 /nfs/dbraw/zinc/66/40/57/489664057.db2.gz IFFQJTKSXCSHAS-UHFFFAOYSA-N 2 1 355.527 0.470 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417748425 489664060 /nfs/dbraw/zinc/66/40/60/489664060.db2.gz IFFQJTKSXCSHAS-UHFFFAOYSA-N 2 1 355.527 0.470 10 0 FCAEMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003416 489670032 /nfs/dbraw/zinc/67/00/32/489670032.db2.gz YLGFZFXXCQIRKY-APWZRJJASA-N 2 1 358.442 0.892 10 0 FCAEMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003416 489670036 /nfs/dbraw/zinc/67/00/36/489670036.db2.gz YLGFZFXXCQIRKY-APWZRJJASA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003416 489670039 /nfs/dbraw/zinc/67/00/39/489670039.db2.gz YLGFZFXXCQIRKY-APWZRJJASA-N 2 1 358.442 0.892 10 0 FCAEMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)C1 ZINC000429003416 489670042 /nfs/dbraw/zinc/67/00/42/489670042.db2.gz YLGFZFXXCQIRKY-APWZRJJASA-N 2 1 358.442 0.892 10 0 FCAEMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458468412 489685124 /nfs/dbraw/zinc/68/51/24/489685124.db2.gz UZHLZJFQFNMUBA-ZWKOTPCHSA-N 2 1 369.554 0.406 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458468412 489685126 /nfs/dbraw/zinc/68/51/26/489685126.db2.gz UZHLZJFQFNMUBA-ZWKOTPCHSA-N 2 1 369.554 0.406 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458468412 489685129 /nfs/dbraw/zinc/68/51/29/489685129.db2.gz UZHLZJFQFNMUBA-ZWKOTPCHSA-N 2 1 369.554 0.406 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000458483226 489685954 /nfs/dbraw/zinc/68/59/54/489685954.db2.gz AABXCVDULRQQDU-OAHLLOKOSA-N 2 1 352.454 0.966 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000458483226 489685956 /nfs/dbraw/zinc/68/59/56/489685956.db2.gz AABXCVDULRQQDU-OAHLLOKOSA-N 2 1 352.454 0.966 10 0 FCAEMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000458483226 489685958 /nfs/dbraw/zinc/68/59/58/489685958.db2.gz AABXCVDULRQQDU-OAHLLOKOSA-N 2 1 352.454 0.966 10 0 FCAEMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000458483226 489685960 /nfs/dbraw/zinc/68/59/60/489685960.db2.gz AABXCVDULRQQDU-OAHLLOKOSA-N 2 1 352.454 0.966 10 0 FCAEMP O=C(NCCNc1cc[nH+]cc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459211533 489722914 /nfs/dbraw/zinc/72/29/14/489722914.db2.gz LDNNEWCOSUMBLJ-UHFFFAOYSA-N 2 1 363.462 0.096 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000418816489 489736664 /nfs/dbraw/zinc/73/66/64/489736664.db2.gz LUXNZSNOKZYDPM-UEXGIBASSA-N 2 1 370.497 0.835 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000418885515 489774251 /nfs/dbraw/zinc/77/42/51/489774251.db2.gz YRNCRTOHEJUCBQ-ZTFGCOKTSA-N 2 1 372.469 0.567 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000418885515 489774257 /nfs/dbraw/zinc/77/42/57/489774257.db2.gz YRNCRTOHEJUCBQ-ZTFGCOKTSA-N 2 1 372.469 0.567 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000418883332 489774673 /nfs/dbraw/zinc/77/46/73/489774673.db2.gz UXYMPHOULCJGEH-NVXWUHKLSA-N 2 1 362.474 0.420 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418885605 489775658 /nfs/dbraw/zinc/77/56/58/489775658.db2.gz ZBKKCZMOYNUCCE-MORSLUCNSA-N 2 1 374.485 0.800 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418885605 489775660 /nfs/dbraw/zinc/77/56/60/489775660.db2.gz ZBKKCZMOYNUCCE-MORSLUCNSA-N 2 1 374.485 0.800 10 0 FCAEMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000418903428 489782798 /nfs/dbraw/zinc/78/27/98/489782798.db2.gz BCQQRHHVXYSYCS-ZWKOTPCHSA-N 2 1 374.485 0.521 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000376892075 489812636 /nfs/dbraw/zinc/81/26/36/489812636.db2.gz HDQDVTZMFRFOHE-HNNXBMFYSA-N 2 1 360.462 0.232 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000376892075 489812641 /nfs/dbraw/zinc/81/26/41/489812641.db2.gz HDQDVTZMFRFOHE-HNNXBMFYSA-N 2 1 360.462 0.232 10 0 FCAEMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419008191 489815826 /nfs/dbraw/zinc/81/58/26/489815826.db2.gz VBRZAEMPHBCNQN-QGZVFWFLSA-N 2 1 359.474 0.547 10 0 FCAEMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000419042806 489831174 /nfs/dbraw/zinc/83/11/74/489831174.db2.gz PSSSNMYRYCZXCW-MRXNPFEDSA-N 2 1 374.489 0.437 10 0 FCAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000571043630 491281742 /nfs/dbraw/zinc/28/17/42/491281742.db2.gz QVESAMKHADLJNX-HNNXBMFYSA-N 2 1 371.445 0.955 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc2n1CCC2 ZINC000475582330 489836653 /nfs/dbraw/zinc/83/66/53/489836653.db2.gz MQGBWNGQPPVGQX-HNNXBMFYSA-N 2 1 369.535 0.866 10 0 FCAEMP CS[C@@H]1CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1[NH+](C)C ZINC000377176855 489863827 /nfs/dbraw/zinc/86/38/27/489863827.db2.gz BQJPUJJWQTXWFB-YESZJQIVSA-N 2 1 372.579 0.437 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000420003976 489878867 /nfs/dbraw/zinc/87/88/67/489878867.db2.gz UPCGZFKPHLAIBL-HOTGVXAUSA-N 2 1 354.495 0.204 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1CCOC ZINC000420003976 489878874 /nfs/dbraw/zinc/87/88/74/489878874.db2.gz UPCGZFKPHLAIBL-HOTGVXAUSA-N 2 1 354.495 0.204 10 0 FCAEMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420094518 489910586 /nfs/dbraw/zinc/91/05/86/489910586.db2.gz JEKVSWZAWSSEFZ-MRXNPFEDSA-N 2 1 367.538 0.249 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420098068 489911212 /nfs/dbraw/zinc/91/12/12/489911212.db2.gz AMCHZIJLLANARJ-KANFNMMFSA-N 2 1 370.497 0.691 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420100759 489912025 /nfs/dbraw/zinc/91/20/25/489912025.db2.gz KVXZCBQNIDWIRO-SJLPKXTDSA-N 2 1 358.486 0.835 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000556068556 491291729 /nfs/dbraw/zinc/29/17/29/491291729.db2.gz FNISWYBFESOMCI-INIZCTEOSA-N 2 1 354.495 0.062 10 0 FCAEMP C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000420382021 489969409 /nfs/dbraw/zinc/96/94/09/489969409.db2.gz PLJCUAWYKCQQGE-GJZGRUSLSA-N 2 1 364.515 0.949 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000420382021 489969411 /nfs/dbraw/zinc/96/94/11/489969411.db2.gz PLJCUAWYKCQQGE-GJZGRUSLSA-N 2 1 364.515 0.949 10 0 FCAEMP COCC[NH+]1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000477647810 489981828 /nfs/dbraw/zinc/98/18/28/489981828.db2.gz SLPNVMPAXBMGFQ-ALOPSCKCSA-N 2 1 366.506 0.345 10 0 FCAEMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000571266692 491296567 /nfs/dbraw/zinc/29/65/67/491296567.db2.gz GAEPJQUBGJVENU-GOSISDBHSA-N 2 1 366.437 0.855 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000571282198 491297711 /nfs/dbraw/zinc/29/77/11/491297711.db2.gz BKTZMYKGZQVMRX-SJORKVTESA-N 2 1 363.458 0.674 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000379681684 490125053 /nfs/dbraw/zinc/12/50/53/490125053.db2.gz SOCGWPHBOFWIAE-SFHVURJKSA-N 2 1 358.486 0.979 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cn1cncn1 ZINC000465792791 490142403 /nfs/dbraw/zinc/14/24/03/490142403.db2.gz SVTSJBLBEDYDEI-HZPDHXFCSA-N 2 1 351.499 0.724 10 0 FCAEMP CN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000465962678 490157920 /nfs/dbraw/zinc/15/79/20/490157920.db2.gz WHPOBBDBJPVNKM-GDBMZVCRSA-N 2 1 351.495 0.452 10 0 FCAEMP CN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000465962678 490157915 /nfs/dbraw/zinc/15/79/15/490157915.db2.gz WHPOBBDBJPVNKM-GDBMZVCRSA-N 2 1 351.495 0.452 10 0 FCAEMP CN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000465962678 490157925 /nfs/dbraw/zinc/15/79/25/490157925.db2.gz WHPOBBDBJPVNKM-GDBMZVCRSA-N 2 1 351.495 0.452 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000398083570 490165965 /nfs/dbraw/zinc/16/59/65/490165965.db2.gz SPXHRHJYHUAZPD-BPQIPLTHSA-N 2 1 367.515 0.805 10 0 FCAEMP C[N@H+](CCN1CCOCC1)[C@H]1CCC[NH+](CCN2CCOCC2)CC1 ZINC000533606719 490266901 /nfs/dbraw/zinc/26/69/01/490266901.db2.gz WOTGYLVFTGCBGX-IBGZPJMESA-N 2 1 354.539 0.437 10 0 FCAEMP C[N@@H+](CCN1CCOCC1)[C@H]1CCC[NH+](CCN2CCOCC2)CC1 ZINC000533606719 490266905 /nfs/dbraw/zinc/26/69/05/490266905.db2.gz WOTGYLVFTGCBGX-IBGZPJMESA-N 2 1 354.539 0.437 10 0 FCAEMP C[NH+](CCN1CCOCC1)[C@H]1CCC[N@H+](CCN2CCOCC2)CC1 ZINC000533606719 490266912 /nfs/dbraw/zinc/26/69/12/490266912.db2.gz WOTGYLVFTGCBGX-IBGZPJMESA-N 2 1 354.539 0.437 10 0 FCAEMP C[NH+](CCN1CCOCC1)[C@H]1CCC[N@@H+](CCN2CCOCC2)CC1 ZINC000533606719 490266917 /nfs/dbraw/zinc/26/69/17/490266917.db2.gz WOTGYLVFTGCBGX-IBGZPJMESA-N 2 1 354.539 0.437 10 0 FCAEMP CCC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000521881337 490306412 /nfs/dbraw/zinc/30/64/12/490306412.db2.gz ZZSIPKYNPLKFPZ-HOTGVXAUSA-N 2 1 364.494 0.776 10 0 FCAEMP CCC[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000521881337 490306414 /nfs/dbraw/zinc/30/64/14/490306414.db2.gz ZZSIPKYNPLKFPZ-HOTGVXAUSA-N 2 1 364.494 0.776 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448261503 490324586 /nfs/dbraw/zinc/32/45/86/490324586.db2.gz QBURKCKAUCVGMO-MRXNPFEDSA-N 2 1 367.538 0.912 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448261503 490324593 /nfs/dbraw/zinc/32/45/93/490324593.db2.gz QBURKCKAUCVGMO-MRXNPFEDSA-N 2 1 367.538 0.912 10 0 FCAEMP CN1CCC(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)([NH+]2CCCCC2)CC1 ZINC000485534182 490540322 /nfs/dbraw/zinc/54/03/22/490540322.db2.gz RXJPPUSAVQGZDZ-SFHVURJKSA-N 2 1 363.550 0.443 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229655 490562773 /nfs/dbraw/zinc/56/27/73/490562773.db2.gz XPCWMLPPWMZILD-JYJNAYRXSA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H](C)O1 ZINC000514592142 490772733 /nfs/dbraw/zinc/77/27/33/490772733.db2.gz SCMJNYWUKJPHAC-JZAWBGDQSA-N 2 1 366.506 0.201 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000539279811 490775026 /nfs/dbraw/zinc/77/50/26/490775026.db2.gz AIYZSAYPGOMZFI-HZPDHXFCSA-N 2 1 370.494 0.376 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000539279811 490775028 /nfs/dbraw/zinc/77/50/28/490775028.db2.gz AIYZSAYPGOMZFI-HZPDHXFCSA-N 2 1 370.494 0.376 10 0 FCAEMP 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10 0 FCAEMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000614505974 492034038 /nfs/dbraw/zinc/03/40/38/492034038.db2.gz CESMVAPUNJGJRA-UYAOXDASSA-N 2 1 358.486 0.130 10 0 FCAEMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000614505974 492034040 /nfs/dbraw/zinc/03/40/40/492034040.db2.gz CESMVAPUNJGJRA-UYAOXDASSA-N 2 1 358.486 0.130 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000604197519 492054291 /nfs/dbraw/zinc/05/42/91/492054291.db2.gz SBCVFDCVFRWZHY-INIZCTEOSA-N 2 1 356.511 0.849 10 0 FCAEMP CCOC(=O)C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000599326099 492160510 /nfs/dbraw/zinc/16/05/10/492160510.db2.gz IZDZEYOBNPYZJN-INIZCTEOSA-N 2 1 355.479 0.177 10 0 FCAEMP Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000617504364 492173135 /nfs/dbraw/zinc/17/31/35/492173135.db2.gz RVINDDUDHPJCTK-AWEZNQCLSA-N 2 1 370.519 0.644 10 0 FCAEMP Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000617504364 492173137 /nfs/dbraw/zinc/17/31/37/492173137.db2.gz RVINDDUDHPJCTK-AWEZNQCLSA-N 2 1 370.519 0.644 10 0 FCAEMP COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506407 492173284 /nfs/dbraw/zinc/17/32/84/492173284.db2.gz MGVOFHGCNMDUTD-ZDUSSCGKSA-N 2 1 362.478 0.979 10 0 FCAEMP COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506407 492173287 /nfs/dbraw/zinc/17/32/87/492173287.db2.gz MGVOFHGCNMDUTD-ZDUSSCGKSA-N 2 1 362.478 0.979 10 0 FCAEMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000611304538 492284888 /nfs/dbraw/zinc/28/48/88/492284888.db2.gz GARQMLIJJRWKPS-KGLIPLIRSA-N 2 1 353.463 0.587 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000627427431 492292217 /nfs/dbraw/zinc/29/22/17/492292217.db2.gz FDQMOCWMMBQLSN-RYGJVYDSSA-N 2 1 362.518 0.968 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000654391656 492297220 /nfs/dbraw/zinc/29/72/20/492297220.db2.gz ZELKWGNMHQEUSB-BBWFWOEESA-N 2 1 350.438 0.889 10 0 FCAEMP COCCOc1cc2c(cc1C[N@H+](C)CCN1CC[NH2+]CC1)OCO2 ZINC000647493209 492298312 /nfs/dbraw/zinc/29/83/12/492298312.db2.gz UUOBLUZELQHHLT-UHFFFAOYSA-N 2 1 351.447 0.778 10 0 FCAEMP COCCOc1cc2c(cc1C[N@@H+](C)CCN1CC[NH2+]CC1)OCO2 ZINC000647493209 492298314 /nfs/dbraw/zinc/29/83/14/492298314.db2.gz UUOBLUZELQHHLT-UHFFFAOYSA-N 2 1 351.447 0.778 10 0 FCAEMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654430250 492302445 /nfs/dbraw/zinc/30/24/45/492302445.db2.gz GBJFXVANSUZDJS-JKSUJKDBSA-N 2 1 352.479 0.092 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000627458784 492303548 /nfs/dbraw/zinc/30/35/48/492303548.db2.gz PWLZACFQBFANQB-ZWKOTPCHSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473253 492311818 /nfs/dbraw/zinc/31/18/18/492311818.db2.gz JXNVNXIMQVDVMZ-WMZOPIPTSA-N 2 1 374.485 0.214 10 0 FCAEMP CCCN(C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567142 492313986 /nfs/dbraw/zinc/31/39/86/492313986.db2.gz MEGMZUCVIABQRD-MRXNPFEDSA-N 2 1 366.506 0.252 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[NH2+]1 ZINC000627477373 492314720 /nfs/dbraw/zinc/31/47/20/492314720.db2.gz VCKPNDNMNFRAAE-CABCVRRESA-N 2 1 354.495 0.060 10 0 FCAEMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654517172 492315366 /nfs/dbraw/zinc/31/53/66/492315366.db2.gz JYDWETZDLXWASG-ZWKOTPCHSA-N 2 1 359.474 0.758 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627498118 492323947 /nfs/dbraw/zinc/32/39/47/492323947.db2.gz JPLUBAQXFWPUFB-CGTJXYLNSA-N 2 1 358.486 0.834 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627503481 492325496 /nfs/dbraw/zinc/32/54/96/492325496.db2.gz OFUPYKBCBUPDPF-CGTJXYLNSA-N 2 1 358.486 0.976 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654964 492334313 /nfs/dbraw/zinc/33/43/13/492334313.db2.gz KIMQONJCDICPAJ-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654964 492334315 /nfs/dbraw/zinc/33/43/15/492334315.db2.gz KIMQONJCDICPAJ-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654964 492334320 /nfs/dbraw/zinc/33/43/20/492334320.db2.gz KIMQONJCDICPAJ-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654654964 492334323 /nfs/dbraw/zinc/33/43/23/492334323.db2.gz KIMQONJCDICPAJ-WCXIOVBPSA-N 2 1 356.511 0.630 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000642196508 492340971 /nfs/dbraw/zinc/34/09/71/492340971.db2.gz NGTNHVNIVIZYPA-QSPRXWTASA-N 2 1 360.458 0.123 10 0 FCAEMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642226558 492343310 /nfs/dbraw/zinc/34/33/10/492343310.db2.gz MCFOQVDFUGSHOC-SFHVURJKSA-N 2 1 374.485 0.393 10 0 FCAEMP CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C[C@H](C)[NH2+]1 ZINC000620903310 492343289 /nfs/dbraw/zinc/34/32/89/492343289.db2.gz MFHPKDRLLSXNCQ-NXOAAHMSSA-N 2 1 350.507 0.918 10 0 FCAEMP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000634638607 492357751 /nfs/dbraw/zinc/35/77/51/492357751.db2.gz RIKQHPWGRYJDBD-LJQANCHMSA-N 2 1 364.486 0.901 10 0 FCAEMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907365 492374781 /nfs/dbraw/zinc/37/47/81/492374781.db2.gz DFPGENLLBQHJOS-JKSUJKDBSA-N 2 1 360.458 0.273 10 0 FCAEMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976977 492390398 /nfs/dbraw/zinc/39/03/98/492390398.db2.gz WNQYGUWHSWTPKO-PMPSAXMXSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000627907342 492418560 /nfs/dbraw/zinc/41/85/60/492418560.db2.gz VMWLNXDTOKFQMD-MRXNPFEDSA-N 2 1 362.478 0.516 10 0 FCAEMP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000655296815 492428706 /nfs/dbraw/zinc/42/87/06/492428706.db2.gz AIDBVCCMRYQNCM-VQTJNVASSA-N 2 1 372.513 0.785 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000628050868 492452221 /nfs/dbraw/zinc/45/22/21/492452221.db2.gz OLXRCBUPJFGNTF-GJZGRUSLSA-N 2 1 352.483 0.316 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000628050868 492452224 /nfs/dbraw/zinc/45/22/24/492452224.db2.gz OLXRCBUPJFGNTF-GJZGRUSLSA-N 2 1 352.483 0.316 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000622137569 492458386 /nfs/dbraw/zinc/45/83/86/492458386.db2.gz IIQCITREFWAOAP-AWEZNQCLSA-N 2 1 350.463 0.510 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000622137569 492458389 /nfs/dbraw/zinc/45/83/89/492458389.db2.gz IIQCITREFWAOAP-AWEZNQCLSA-N 2 1 350.463 0.510 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655914428 492487673 /nfs/dbraw/zinc/48/76/73/492487673.db2.gz ZCRIQTDNGQAPOO-NSHDSACASA-N 2 1 353.389 0.166 10 0 FCAEMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000649076091 492492493 /nfs/dbraw/zinc/49/24/93/492492493.db2.gz PWPHKEYSJKKZQF-JXFKEZNVSA-N 2 1 374.485 0.202 10 0 FCAEMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000656028430 492521623 /nfs/dbraw/zinc/52/16/23/492521623.db2.gz LARMRCYEDNJCDN-SQNIBIBYSA-N 2 1 371.485 0.688 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000656028430 492521628 /nfs/dbraw/zinc/52/16/28/492521628.db2.gz LARMRCYEDNJCDN-SQNIBIBYSA-N 2 1 371.485 0.688 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000656080166 492540778 /nfs/dbraw/zinc/54/07/78/492540778.db2.gz PKZLMDAVPMRJFR-ZACQAIPSSA-N 2 1 350.507 0.633 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000656084225 492545946 /nfs/dbraw/zinc/54/59/46/492545946.db2.gz WROHLZASUVYTAD-XYVMCAHJSA-N 2 1 362.518 0.918 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656309738 492584119 /nfs/dbraw/zinc/58/41/19/492584119.db2.gz UIGKWCPZDCFQLU-IKGGRYGDSA-N 2 1 366.506 0.347 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656309738 492584123 /nfs/dbraw/zinc/58/41/23/492584123.db2.gz UIGKWCPZDCFQLU-IKGGRYGDSA-N 2 1 366.506 0.347 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656309738 492584128 /nfs/dbraw/zinc/58/41/28/492584128.db2.gz UIGKWCPZDCFQLU-IKGGRYGDSA-N 2 1 366.506 0.347 10 0 FCAEMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624082184 492618792 /nfs/dbraw/zinc/61/87/92/492618792.db2.gz POBOFTRTKPXPFQ-UYAOXDASSA-N 2 1 367.534 0.835 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1=O ZINC000651062752 492702422 /nfs/dbraw/zinc/70/24/22/492702422.db2.gz GMAIUZLFNGPHBI-MRXNPFEDSA-N 2 1 351.495 0.419 10 0 FCAEMP CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000658138350 492843435 /nfs/dbraw/zinc/84/34/35/492843435.db2.gz JGVRUIIKWSPXOQ-SFHVURJKSA-N 2 1 367.515 0.767 10 0 FCAEMP CS(=O)(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000658138349 492843749 /nfs/dbraw/zinc/84/37/49/492843749.db2.gz JGVRUIIKWSPXOQ-GOSISDBHSA-N 2 1 367.515 0.767 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631920259 492884544 /nfs/dbraw/zinc/88/45/44/492884544.db2.gz VSIOAZXZMLDHCR-BRWVUGGUSA-N 2 1 359.536 0.891 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000652152612 492888528 /nfs/dbraw/zinc/88/85/28/492888528.db2.gz RRJHQQUOGXVWIK-QGZVFWFLSA-N 2 1 367.538 0.565 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000652152612 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/nfs/dbraw/zinc/99/44/68/492994468.db2.gz PCRSFJMBFAKZMR-NXHRZFHOSA-N 2 1 358.486 0.486 10 0 FCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626800830 493021901 /nfs/dbraw/zinc/02/19/01/493021901.db2.gz PTLWKNMMRIKULY-AWEZNQCLSA-N 2 1 360.458 0.955 10 0 FCAEMP CCCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658773131 493047801 /nfs/dbraw/zinc/04/78/01/493047801.db2.gz XAFLNDDPVANLDM-DLBZAZTESA-N 2 1 368.522 0.498 10 0 FCAEMP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658773133 493048033 /nfs/dbraw/zinc/04/80/33/493048033.db2.gz XAFLNDDPVANLDM-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3(C[NH3+])CCOCC3)c2C1 ZINC000626884288 493050335 /nfs/dbraw/zinc/05/03/35/493050335.db2.gz ZMQDOCXTZYQFCE-UHFFFAOYSA-N 2 1 360.458 0.975 10 0 FCAEMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC3(C[NH3+])CCOCC3)c2C1 ZINC000626884288 493050336 /nfs/dbraw/zinc/05/03/36/493050336.db2.gz ZMQDOCXTZYQFCE-UHFFFAOYSA-N 2 1 360.458 0.975 10 0 FCAEMP [NH3+]CC1(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000626924807 493065053 /nfs/dbraw/zinc/06/50/53/493065053.db2.gz XXJYETDIYSIHGA-UHFFFAOYSA-N 2 1 362.474 0.826 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658820406 493068453 /nfs/dbraw/zinc/06/84/53/493068453.db2.gz DGOUVZHWZKUVAV-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626964361 493071015 /nfs/dbraw/zinc/07/10/15/493071015.db2.gz QIEALIGQJNBNCM-GJZGRUSLSA-N 2 1 351.495 0.513 10 0 FCAEMP O=C(CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115133 493072390 /nfs/dbraw/zinc/07/23/90/493072390.db2.gz DUAFQKMDWXNCHD-MOPGFXCFSA-N 2 1 370.497 0.978 10 0 FCAEMP O=C(CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653115135 493072810 /nfs/dbraw/zinc/07/28/10/493072810.db2.gz DUAFQKMDWXNCHD-RBUKOAKNSA-N 2 1 370.497 0.978 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000626980953 493074221 /nfs/dbraw/zinc/07/42/21/493074221.db2.gz WUZZHKINBLIPIL-YTQUADARSA-N 2 1 365.522 0.034 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985391 493074536 /nfs/dbraw/zinc/07/45/36/493074536.db2.gz GHJPPOJLLUDGHL-AEFFLSMTSA-N 2 1 364.490 0.811 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985391 493074539 /nfs/dbraw/zinc/07/45/39/493074539.db2.gz GHJPPOJLLUDGHL-AEFFLSMTSA-N 2 1 364.490 0.811 10 0 FCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653124038 493074664 /nfs/dbraw/zinc/07/46/64/493074664.db2.gz OXVSYIVRQGPMAW-DLBZAZTESA-N 2 1 358.490 0.636 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985392 493074889 /nfs/dbraw/zinc/07/48/89/493074889.db2.gz GHJPPOJLLUDGHL-FUHWJXTLSA-N 2 1 364.490 0.811 10 0 FCAEMP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985392 493074893 /nfs/dbraw/zinc/07/48/93/493074893.db2.gz GHJPPOJLLUDGHL-FUHWJXTLSA-N 2 1 364.490 0.811 10 0 FCAEMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626985629 493074933 /nfs/dbraw/zinc/07/49/33/493074933.db2.gz ISSOUATYDTUBRS-SJLPKXTDSA-N 2 1 364.490 0.941 10 0 FCAEMP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626985629 493074937 /nfs/dbraw/zinc/07/49/37/493074937.db2.gz ISSOUATYDTUBRS-SJLPKXTDSA-N 2 1 364.490 0.941 10 0 FCAEMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125103 493075745 /nfs/dbraw/zinc/07/57/45/493075745.db2.gz SQXLJUHSBZZOBX-KXBFYZLASA-N 2 1 362.449 0.300 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125108 493076097 /nfs/dbraw/zinc/07/60/97/493076097.db2.gz STQSZMMCMWZSQP-UWVAXJGDSA-N 2 1 358.486 0.549 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000626995190 493076937 /nfs/dbraw/zinc/07/69/37/493076937.db2.gz PCFNXISOPUWZTQ-UHFFFAOYSA-N 2 1 350.467 0.597 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246940 493086144 /nfs/dbraw/zinc/08/61/44/493086144.db2.gz FCCSSRGZYFHQQM-YLFCFFPRSA-N 2 1 366.506 0.141 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C[C@H]1C[NH3+] ZINC000653246937 493086788 /nfs/dbraw/zinc/08/67/88/493086788.db2.gz FCCSSRGZYFHQQM-QBPKDAKJSA-N 2 1 366.506 0.141 10 0 FCAEMP Cc1cc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cn2cc[nH+]c12 ZINC000646819884 493103705 /nfs/dbraw/zinc/10/37/05/493103705.db2.gz PSOZCDDDAKZODQ-CYBMUJFWSA-N 2 1 372.429 0.160 10 0 FCAEMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)cc2C1 ZINC000658902304 493105899 /nfs/dbraw/zinc/10/58/99/493105899.db2.gz SEHXHVUZCOZAMG-GOSISDBHSA-N 2 1 372.469 0.628 10 0 FCAEMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)cc2C1 ZINC000658902304 493105905 /nfs/dbraw/zinc/10/59/05/493105905.db2.gz SEHXHVUZCOZAMG-GOSISDBHSA-N 2 1 372.469 0.628 10 0 FCAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2C1 ZINC000658902304 493105909 /nfs/dbraw/zinc/10/59/09/493105909.db2.gz SEHXHVUZCOZAMG-GOSISDBHSA-N 2 1 372.469 0.628 10 0 FCAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2C1 ZINC000658902304 493105912 /nfs/dbraw/zinc/10/59/12/493105912.db2.gz SEHXHVUZCOZAMG-GOSISDBHSA-N 2 1 372.469 0.628 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627196732 493106502 /nfs/dbraw/zinc/10/65/02/493106502.db2.gz VMYLTXWSHWIURA-HZPDHXFCSA-N 2 1 353.511 0.713 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627196732 493106504 /nfs/dbraw/zinc/10/65/04/493106504.db2.gz VMYLTXWSHWIURA-HZPDHXFCSA-N 2 1 353.511 0.713 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000627220056 493108456 /nfs/dbraw/zinc/10/84/56/493108456.db2.gz NKACQJXDDDODPQ-QGZVFWFLSA-N 2 1 350.463 0.070 10 0 FCAEMP 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C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627293618 493137915 /nfs/dbraw/zinc/13/79/15/493137915.db2.gz YGEVJPZOHFPMEA-KRWDZBQOSA-N 2 1 362.474 0.072 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000633181304 493138455 /nfs/dbraw/zinc/13/84/55/493138455.db2.gz OBBAPIGXYMWUFJ-IZPLOLCNSA-N 2 1 360.502 0.338 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000633181304 493138457 /nfs/dbraw/zinc/13/84/57/493138457.db2.gz OBBAPIGXYMWUFJ-IZPLOLCNSA-N 2 1 360.502 0.338 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000633181304 493138462 /nfs/dbraw/zinc/13/84/62/493138462.db2.gz OBBAPIGXYMWUFJ-IZPLOLCNSA-N 2 1 360.502 0.338 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000627298013 493140427 /nfs/dbraw/zinc/14/04/27/493140427.db2.gz YRNCRTOHEJUCBQ-OLMNPRSZSA-N 2 1 372.469 0.567 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC[N@H+]2C2CC2)c1 ZINC000627298013 493140428 /nfs/dbraw/zinc/14/04/28/493140428.db2.gz YRNCRTOHEJUCBQ-OLMNPRSZSA-N 2 1 372.469 0.567 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659076251 493140761 /nfs/dbraw/zinc/14/07/61/493140761.db2.gz KMPOZKMUYTUFBH-FSPWUOQZSA-N 2 1 372.469 0.885 10 0 FCAEMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)[C@@H](C)C1 ZINC000659083410 493145323 /nfs/dbraw/zinc/14/53/23/493145323.db2.gz MHROCIMQDQKBCG-YOEHRIQHSA-N 2 1 360.458 0.839 10 0 FCAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312190 493146618 /nfs/dbraw/zinc/14/66/18/493146618.db2.gz RSUKQTDYXQNJQH-AWEZNQCLSA-N 2 1 354.495 0.237 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627312085 493146721 /nfs/dbraw/zinc/14/67/21/493146721.db2.gz OZWBQWFKTOMMSM-GASCZTMLSA-N 2 1 368.522 0.483 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@H]1CC[N@@H+](C)C1 ZINC000647025804 493148339 /nfs/dbraw/zinc/14/83/39/493148339.db2.gz SBCRLFMHRURQIE-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@H]1CC[NH+](C)C1 ZINC000647025804 493148344 /nfs/dbraw/zinc/14/83/44/493148344.db2.gz SBCRLFMHRURQIE-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CCCN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC)[C@H]1CC[NH+](C)C1 ZINC000647025804 493148347 /nfs/dbraw/zinc/14/83/47/493148347.db2.gz SBCRLFMHRURQIE-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP C[C@@H](c1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1)[NH+]1CCOCC1 ZINC000659099425 493152668 /nfs/dbraw/zinc/15/26/68/493152668.db2.gz FARHOMPFMBCIRC-BQTBQCLESA-N 2 1 372.469 0.968 10 0 FCAEMP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000659102983 493154381 /nfs/dbraw/zinc/15/43/81/493154381.db2.gz LDGDLCGUZNZJIX-IAGOWNOFSA-N 2 1 372.469 0.843 10 0 FCAEMP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334310 493157821 /nfs/dbraw/zinc/15/78/21/493157821.db2.gz MQPURHSSMHVSSX-INIZCTEOSA-N 2 1 354.495 0.381 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000627333229 493158002 /nfs/dbraw/zinc/15/80/02/493158002.db2.gz YNPAMBMYPLGRBT-GBESFXJTSA-N 2 1 372.513 0.924 10 0 FCAEMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000659112481 493160002 /nfs/dbraw/zinc/16/00/02/493160002.db2.gz QLVHSUWPTUSVRY-SOUVJXGZSA-N 2 1 362.474 0.958 10 0 FCAEMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000659112481 493160005 /nfs/dbraw/zinc/16/00/05/493160005.db2.gz QLVHSUWPTUSVRY-SOUVJXGZSA-N 2 1 362.474 0.958 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000627339807 493162319 /nfs/dbraw/zinc/16/23/19/493162319.db2.gz RCEUPLAGDUVGNX-NFAWXSAZSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000627339807 493162323 /nfs/dbraw/zinc/16/23/23/493162323.db2.gz RCEUPLAGDUVGNX-NFAWXSAZSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[NH2+]1 ZINC000627345712 493165104 /nfs/dbraw/zinc/16/51/04/493165104.db2.gz SYKRDYKDHOPJIL-CRAIPNDOSA-N 2 1 374.485 0.392 10 0 FCAEMP C[NH+](C)CCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000633617299 493172528 /nfs/dbraw/zinc/17/25/28/493172528.db2.gz NKUJPDZNLOGNNL-LJQANCHMSA-N 2 1 371.485 0.941 10 0 FCAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627362925 493179063 /nfs/dbraw/zinc/17/90/63/493179063.db2.gz ARYCRQZNSWGTMV-OAHLLOKOSA-N 2 1 354.495 0.381 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627364290 493180282 /nfs/dbraw/zinc/18/02/82/493180282.db2.gz LWSBGLCAQHWIRG-OAHLLOKOSA-N 2 1 354.495 0.239 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627367149 493181785 /nfs/dbraw/zinc/18/17/85/493181785.db2.gz LPQGYFZFBASCEI-WBVHZDCISA-N 2 1 362.474 0.105 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659472862 493188168 /nfs/dbraw/zinc/18/81/68/493188168.db2.gz DBYJZFMSOOJCJW-RHSMWYFYSA-N 2 1 356.430 0.886 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000627388520 493196264 /nfs/dbraw/zinc/19/62/64/493196264.db2.gz XUKZYCCBPMBVQA-RDJZCZTQSA-N 2 1 374.485 0.390 10 0 FCAEMP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659526919 493205886 /nfs/dbraw/zinc/20/58/86/493205886.db2.gz GXOPZHMTHXMNJT-SFHVURJKSA-N 2 1 363.506 0.338 10 0 FCAEMP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659526919 493205889 /nfs/dbraw/zinc/20/58/89/493205889.db2.gz GXOPZHMTHXMNJT-SFHVURJKSA-N 2 1 363.506 0.338 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659626908 493222649 /nfs/dbraw/zinc/22/26/49/493222649.db2.gz NSTSLTOFKVPIFA-CEXWTWQISA-N 2 1 357.502 0.663 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659626908 493222653 /nfs/dbraw/zinc/22/26/53/493222653.db2.gz NSTSLTOFKVPIFA-CEXWTWQISA-N 2 1 357.502 0.663 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979086 493245108 /nfs/dbraw/zinc/24/51/08/493245108.db2.gz LPJGIYXWIIVEMS-BFYDXBDKSA-N 2 1 354.495 0.336 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000659678723 493247260 /nfs/dbraw/zinc/24/72/60/493247260.db2.gz OZEYDWZQINBOHA-NUEKZKHPSA-N 2 1 350.438 0.521 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659682002 493249212 /nfs/dbraw/zinc/24/92/12/493249212.db2.gz DNIUVLKAPGPJJE-IVSQAGSJSA-N 2 1 356.470 0.806 10 0 FCAEMP Cc1ccc([C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[NH+]2CCCC2)o1 ZINC000659698256 493259686 /nfs/dbraw/zinc/25/96/86/493259686.db2.gz DQQAARLSKNWBFE-HVEKOLDVSA-N 2 1 360.458 0.709 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701247 493261171 /nfs/dbraw/zinc/26/11/71/493261171.db2.gz ZPTWTYCRMKBKDS-ABKMUHTPSA-N 2 1 356.470 0.491 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000659702283 493262527 /nfs/dbraw/zinc/26/25/27/493262527.db2.gz ODFDDSBZEPPKNN-GDBMZVCRSA-N 2 1 350.507 0.824 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706406 493264228 /nfs/dbraw/zinc/26/42/28/493264228.db2.gz KSPYXVMCNBQGJT-SJORKVTESA-N 2 1 366.506 0.062 10 0 FCAEMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659710389 493267183 /nfs/dbraw/zinc/26/71/83/493267183.db2.gz RAVJBCUTMOAFJA-XAUUPUKJSA-N 2 1 360.458 0.791 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659709892 493267198 /nfs/dbraw/zinc/26/71/98/493267198.db2.gz MWTYXXTZNUGXNQ-KRWDZBQOSA-N 2 1 358.486 0.870 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659711131 493267209 /nfs/dbraw/zinc/26/72/09/493267209.db2.gz XABWWWUNWDNYGY-KSZLIROESA-N 2 1 362.518 0.968 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735304 493278779 /nfs/dbraw/zinc/27/87/79/493278779.db2.gz ZBFOVQWUCSSLCQ-MRXNPFEDSA-N 2 1 365.522 0.003 10 0 FCAEMP CCN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659739829 493280351 /nfs/dbraw/zinc/28/03/51/493280351.db2.gz IHXOKXVZADRTKE-IDYZSHNDSA-N 2 1 370.497 0.978 10 0 FCAEMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740066 493280693 /nfs/dbraw/zinc/28/06/93/493280693.db2.gz KBNZYALZKPRUDB-QZTJIDSGSA-N 2 1 370.497 0.965 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659742785 493282150 /nfs/dbraw/zinc/28/21/50/493282150.db2.gz WBEOFMHJSRJQCH-QBPKDAKJSA-N 2 1 368.522 0.576 10 0 FCAEMP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000667558117 493289514 /nfs/dbraw/zinc/28/95/14/493289514.db2.gz VULUCOAGDRMKTB-SECBINFHSA-N 2 1 357.252 0.913 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673174254 493298289 /nfs/dbraw/zinc/29/82/89/493298289.db2.gz NEIHXAALZCENNC-NXHRZFHOSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000673174254 493298290 /nfs/dbraw/zinc/29/82/90/493298290.db2.gz NEIHXAALZCENNC-NXHRZFHOSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000673174254 493298292 /nfs/dbraw/zinc/29/82/92/493298292.db2.gz NEIHXAALZCENNC-NXHRZFHOSA-N 2 1 358.486 0.834 10 0 FCAEMP CO[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC000660071317 493321513 /nfs/dbraw/zinc/32/15/13/493321513.db2.gz INMDNLBKGPYKQA-ZWKOTPCHSA-N 2 1 353.507 0.914 10 0 FCAEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660686078 493371873 /nfs/dbraw/zinc/37/18/73/493371873.db2.gz KBINRZNRSDWPGR-INIZCTEOSA-N 2 1 360.506 0.795 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668795053 493412301 /nfs/dbraw/zinc/41/23/01/493412301.db2.gz VEBGRMJZKLPDLY-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000668796689 493412646 /nfs/dbraw/zinc/41/26/46/493412646.db2.gz ZRWCRSPPLFSWLW-GDBMZVCRSA-N 2 1 354.495 0.155 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@](C)(C3CC3)C2)C1 ZINC000661163907 493413969 /nfs/dbraw/zinc/41/39/69/493413969.db2.gz GOVBJGRBDUGHFP-MJGOQNOKSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@](C)(C3CC3)C2)C1 ZINC000661163907 493413970 /nfs/dbraw/zinc/41/39/70/493413970.db2.gz GOVBJGRBDUGHFP-MJGOQNOKSA-N 2 1 353.507 0.960 10 0 FCAEMP CCN(C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000668827104 493416815 /nfs/dbraw/zinc/41/68/15/493416815.db2.gz QFFJZYBQDBRINX-INIZCTEOSA-N 2 1 366.506 0.300 10 0 FCAEMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498982 493422890 /nfs/dbraw/zinc/42/28/90/493422890.db2.gz VPCKUXUQWUTCBK-LZQZEXGQSA-N 2 1 361.486 0.583 10 0 FCAEMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674498982 493422894 /nfs/dbraw/zinc/42/28/94/493422894.db2.gz VPCKUXUQWUTCBK-LZQZEXGQSA-N 2 1 361.486 0.583 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CCN(C)C1 ZINC000668891944 493429679 /nfs/dbraw/zinc/42/96/79/493429679.db2.gz VPAQPROPSZRRBX-ZACQAIPSSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668933540 493440055 /nfs/dbraw/zinc/44/00/55/493440055.db2.gz HJIGUJBIPARCCP-RDJZCZTQSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@H]2CCO)C1 ZINC000661490148 493442480 /nfs/dbraw/zinc/44/24/80/493442480.db2.gz QLGAJUDKJVQDFX-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)C1 ZINC000661490148 493442481 /nfs/dbraw/zinc/44/24/81/493442481.db2.gz QLGAJUDKJVQDFX-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCO)C1 ZINC000661490148 493442482 /nfs/dbraw/zinc/44/24/82/493442482.db2.gz QLGAJUDKJVQDFX-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000668992047 493447973 /nfs/dbraw/zinc/44/79/73/493447973.db2.gz KSFIMUFFIROLGR-HNNXBMFYSA-N 2 1 367.538 0.118 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1(C)C ZINC000668992047 493447978 /nfs/dbraw/zinc/44/79/78/493447978.db2.gz KSFIMUFFIROLGR-HNNXBMFYSA-N 2 1 367.538 0.118 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1(C)C ZINC000668992047 493447982 /nfs/dbraw/zinc/44/79/82/493447982.db2.gz KSFIMUFFIROLGR-HNNXBMFYSA-N 2 1 367.538 0.118 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000661854384 493468951 /nfs/dbraw/zinc/46/89/51/493468951.db2.gz JQYVUFWBZJOWDM-INIZCTEOSA-N 2 1 365.522 0.809 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000669250358 493482517 /nfs/dbraw/zinc/48/25/17/493482517.db2.gz JKIMVYJTXMYHAQ-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000669250358 493482520 /nfs/dbraw/zinc/48/25/20/493482520.db2.gz JKIMVYJTXMYHAQ-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC000669250358 493482523 /nfs/dbraw/zinc/48/25/23/493482523.db2.gz JKIMVYJTXMYHAQ-SJORKVTESA-N 2 1 368.522 0.546 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662015667 493485240 /nfs/dbraw/zinc/48/52/40/493485240.db2.gz YTNRDCFLPKLKFU-INIZCTEOSA-N 2 1 353.511 0.663 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662015667 493485242 /nfs/dbraw/zinc/48/52/42/493485242.db2.gz YTNRDCFLPKLKFU-INIZCTEOSA-N 2 1 353.511 0.663 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000675533697 493487523 /nfs/dbraw/zinc/48/75/23/493487523.db2.gz DRKISCSIZFDXEJ-UHFFFAOYSA-N 2 1 365.482 0.073 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662152860 493493154 /nfs/dbraw/zinc/49/31/54/493493154.db2.gz IHCGSWHBSMHDJM-VQTJNVASSA-N 2 1 374.529 0.937 10 0 FCAEMP c1ccc(-n2nnnc2CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662262526 493501928 /nfs/dbraw/zinc/50/19/28/493501928.db2.gz WBWMKQXYGKWTLF-KRWDZBQOSA-N 2 1 369.473 0.301 10 0 FCAEMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000662293825 493504522 /nfs/dbraw/zinc/50/45/22/493504522.db2.gz OIQFKAJQAYXSHW-HNNXBMFYSA-N 2 1 355.508 0.410 10 0 FCAEMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000675898893 493511260 /nfs/dbraw/zinc/51/12/60/493511260.db2.gz RALBDBFJWVZQLK-PMACEKPBSA-N 2 1 374.529 0.718 10 0 FCAEMP C[NH+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675898893 493511263 /nfs/dbraw/zinc/51/12/63/493511263.db2.gz RALBDBFJWVZQLK-PMACEKPBSA-N 2 1 374.529 0.718 10 0 FCAEMP C[NH+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000675898893 493511265 /nfs/dbraw/zinc/51/12/65/493511265.db2.gz RALBDBFJWVZQLK-PMACEKPBSA-N 2 1 374.529 0.718 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000676089262 493522680 /nfs/dbraw/zinc/52/26/80/493522680.db2.gz DOIFOLOMOYQJIK-GJZGRUSLSA-N 2 1 364.494 0.762 10 0 FCAEMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000662517786 493523168 /nfs/dbraw/zinc/52/31/68/493523168.db2.gz MEVMSBYFFQAGRW-CQSZACIVSA-N 2 1 366.437 0.915 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000676098911 493524981 /nfs/dbraw/zinc/52/49/81/493524981.db2.gz HGEHAEULGGVVIS-GDBMZVCRSA-N 2 1 364.494 0.714 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@H+]1C1CC1 ZINC000676099193 493525365 /nfs/dbraw/zinc/52/53/65/493525365.db2.gz LKVCYXBPPUCAOL-STQMWFEESA-N 2 1 354.414 0.947 10 0 FCAEMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000662750419 493537074 /nfs/dbraw/zinc/53/70/74/493537074.db2.gz RFBYWKPSNBWXEO-UHFFFAOYSA-N 2 1 370.457 0.075 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662753355 493538633 /nfs/dbraw/zinc/53/86/33/493538633.db2.gz YUGDHDYBBSYEMB-DLBZAZTESA-N 2 1 360.458 0.305 10 0 FCAEMP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662860907 493547757 /nfs/dbraw/zinc/54/77/57/493547757.db2.gz VIDHCRJORUZADW-IRXDYDNUSA-N 2 1 369.469 0.983 10 0 FCAEMP COCC1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC[NH2+]CC1 ZINC000662860449 493547805 /nfs/dbraw/zinc/54/78/05/493547805.db2.gz RXJQTPIVGJYADN-SFHVURJKSA-N 2 1 361.486 0.886 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662921429 493553441 /nfs/dbraw/zinc/55/34/41/493553441.db2.gz AAPWIKZKEFYVMW-KRWDZBQOSA-N 2 1 350.507 0.779 10 0 FCAEMP CN(C(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662924359 493554383 /nfs/dbraw/zinc/55/43/83/493554383.db2.gz XZIWEONDFOATGD-OHTSDLOESA-N 2 1 356.470 0.669 10 0 FCAEMP COC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662939874 493557326 /nfs/dbraw/zinc/55/73/26/493557326.db2.gz JPWAWTWIJPHFDO-ICSRJNTNSA-N 2 1 360.502 0.687 10 0 FCAEMP COC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662939874 493557328 /nfs/dbraw/zinc/55/73/28/493557328.db2.gz JPWAWTWIJPHFDO-ICSRJNTNSA-N 2 1 360.502 0.687 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662939716 493557347 /nfs/dbraw/zinc/55/73/47/493557347.db2.gz VTGOSBPSBMGCMR-UHFFFAOYSA-N 2 1 358.442 0.710 10 0 FCAEMP O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013536 493566033 /nfs/dbraw/zinc/56/60/33/493566033.db2.gz DCVGBFBMHAUMJM-TZMCWYRMSA-N 2 1 350.492 0.188 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663580854 493601102 /nfs/dbraw/zinc/60/11/02/493601102.db2.gz WKTYGQHDABSIJC-SFHVURJKSA-N 2 1 369.554 0.765 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000670879494 493608891 /nfs/dbraw/zinc/60/88/91/493608891.db2.gz KMXHXMPZDNBNEJ-KRWDZBQOSA-N 2 1 359.474 0.373 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578987 493609315 /nfs/dbraw/zinc/60/93/15/493609315.db2.gz OAEGXQVTKMFJBP-OWCLPIDISA-N 2 1 371.526 0.097 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000677578987 493609316 /nfs/dbraw/zinc/60/93/16/493609316.db2.gz OAEGXQVTKMFJBP-OWCLPIDISA-N 2 1 371.526 0.097 10 0 FCAEMP Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2 ZINC000663942434 493627358 /nfs/dbraw/zinc/62/73/58/493627358.db2.gz ODEPXPQDWCZLLZ-ZFWWWQNUSA-N 2 1 351.499 0.473 10 0 FCAEMP Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000663942434 493627359 /nfs/dbraw/zinc/62/73/59/493627359.db2.gz ODEPXPQDWCZLLZ-ZFWWWQNUSA-N 2 1 351.499 0.473 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC000663956071 493627641 /nfs/dbraw/zinc/62/76/41/493627641.db2.gz BHLCHZOEGWAGCX-YVSFHVDLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC000663956071 493627644 /nfs/dbraw/zinc/62/76/44/493627644.db2.gz BHLCHZOEGWAGCX-YVSFHVDLSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000663956071 493627647 /nfs/dbraw/zinc/62/76/47/493627647.db2.gz BHLCHZOEGWAGCX-YVSFHVDLSA-N 2 1 350.507 0.824 10 0 FCAEMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677980425 493628711 /nfs/dbraw/zinc/62/87/11/493628711.db2.gz BHECJQPKOITQGR-GOSISDBHSA-N 2 1 351.491 0.668 10 0 FCAEMP 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493643613 /nfs/dbraw/zinc/64/36/13/493643613.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 1 364.515 0.821 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1)N1CCc2sccc2C1 ZINC000671150748 493643615 /nfs/dbraw/zinc/64/36/15/493643615.db2.gz IPEGGLZCDVIKPO-HIFRSBDPSA-N 2 1 364.515 0.821 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1C ZINC000664350703 493654809 /nfs/dbraw/zinc/65/48/09/493654809.db2.gz NMBAOKZIUWDFPX-OAHLLOKOSA-N 2 1 352.483 0.738 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000664570562 493668371 /nfs/dbraw/zinc/66/83/71/493668371.db2.gz UFDZWPNNSKNIDL-LZLYRXPVSA-N 2 1 356.511 0.896 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000664570562 493668372 /nfs/dbraw/zinc/66/83/72/493668372.db2.gz UFDZWPNNSKNIDL-LZLYRXPVSA-N 2 1 356.511 0.896 10 0 FCAEMP CN(CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc[nH+]cc1 ZINC000679408540 493678760 /nfs/dbraw/zinc/67/87/60/493678760.db2.gz IUJUQLUUUGIRSG-KRWDZBQOSA-N 2 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0.283 10 0 FCAEMP COC(=O)CCc1nc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000779653577 668434260 /nfs/dbraw/zinc/43/42/60/668434260.db2.gz VGMVROVXHYUTHM-LLVKDONJSA-N 2 1 355.395 0.283 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)CN2CCOCC2)C[C@H]1C[NH+](C)C ZINC000825148453 669438833 /nfs/dbraw/zinc/43/88/33/669438833.db2.gz XPTJMVGTMXKQNW-IAGOWNOFSA-N 2 1 354.539 0.543 10 0 FCAEMP CCN(OC)C(=O)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000828160322 669621121 /nfs/dbraw/zinc/62/11/21/669621121.db2.gz XOCBPGNCPJIUPR-OAHLLOKOSA-N 2 1 357.499 0.454 10 0 FCAEMP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522781 671351752 /nfs/dbraw/zinc/35/17/52/671351752.db2.gz OMLHRAHYWFAMMZ-SJORKVTESA-N 2 1 351.495 0.492 10 0 FCAEMP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H]1[NH+](C)C ZINC000849569405 671353043 /nfs/dbraw/zinc/35/30/43/671353043.db2.gz SZBVMOOGCBSVAE-QBPKDAKJSA-N 2 1 365.547 0.959 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cn2)CC1 ZINC000850348809 671380492 /nfs/dbraw/zinc/38/04/92/671380492.db2.gz VJRWWSIJNYUNDR-XMMPIXPASA-N 2 1 365.425 0.629 10 0 FCAEMP [NH3+]CCOCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852758717 671524039 /nfs/dbraw/zinc/52/40/39/671524039.db2.gz DRUDYMMZNKLIHR-UHFFFAOYSA-N 2 1 365.219 0.495 10 0 FCAEMP O[C@H]1CC[N@@H+](C2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000853043229 671535695 /nfs/dbraw/zinc/53/56/95/671535695.db2.gz HQSSBNDOCDHWMJ-INIZCTEOSA-N 2 1 356.536 0.114 10 0 FCAEMP O[C@H]1CC[N@H+](C2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000853043229 671535698 /nfs/dbraw/zinc/53/56/98/671535698.db2.gz HQSSBNDOCDHWMJ-INIZCTEOSA-N 2 1 356.536 0.114 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000855347118 671638181 /nfs/dbraw/zinc/63/81/81/671638181.db2.gz UJJDHSSYSHVNRD-QWHCGFSZSA-N 2 1 366.428 0.928 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000855347118 671638184 /nfs/dbraw/zinc/63/81/84/671638184.db2.gz UJJDHSSYSHVNRD-QWHCGFSZSA-N 2 1 366.428 0.928 10 0 FCAEMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856598725 671692917 /nfs/dbraw/zinc/69/29/17/671692917.db2.gz BWGXJPDMIUVOLR-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856598725 671692919 /nfs/dbraw/zinc/69/29/19/671692919.db2.gz BWGXJPDMIUVOLR-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856598725 671692921 /nfs/dbraw/zinc/69/29/21/671692921.db2.gz BWGXJPDMIUVOLR-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)ccn1 ZINC000856598725 671692923 /nfs/dbraw/zinc/69/29/23/671692923.db2.gz BWGXJPDMIUVOLR-KRWDZBQOSA-N 2 1 370.519 0.924 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(Br)cnn1C)C2 ZINC000903494330 675933388 /nfs/dbraw/zinc/93/33/88/675933388.db2.gz CCBFDKWPYWKBID-RBZYPMLTSA-N 2 1 357.252 0.895 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(Br)cnn1C)C2 ZINC000903494330 675933394 /nfs/dbraw/zinc/93/33/94/675933394.db2.gz CCBFDKWPYWKBID-RBZYPMLTSA-N 2 1 357.252 0.895 10 0 FCAEMP CCCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495106 675933668 /nfs/dbraw/zinc/93/36/68/675933668.db2.gz VLPZPFMBEFPTGS-ZOWXZIJZSA-N 2 1 365.396 1.000 10 0 FCAEMP CCCN(C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903496553 675933820 /nfs/dbraw/zinc/93/38/20/675933820.db2.gz SCBFFVDWERDPIZ-QXSJWSMHSA-N 2 1 359.536 0.717 10 0 FCAEMP CCCN(C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903496553 675933823 /nfs/dbraw/zinc/93/38/23/675933823.db2.gz SCBFFVDWERDPIZ-QXSJWSMHSA-N 2 1 359.536 0.717 10 0 FCAEMP CC(C)[C@@H](C)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903720197 675963527 /nfs/dbraw/zinc/96/35/27/675963527.db2.gz IGLRTYXDTFCAEU-OIISXLGYSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[C@@H](C)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903720197 675963530 /nfs/dbraw/zinc/96/35/30/675963530.db2.gz IGLRTYXDTFCAEU-OIISXLGYSA-N 2 1 350.507 0.917 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000903721130 675963841 /nfs/dbraw/zinc/96/38/41/675963841.db2.gz XIURZEXEPBDMCX-XHSDSOJGSA-N 2 1 366.531 0.378 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000903721130 675963844 /nfs/dbraw/zinc/96/38/44/675963844.db2.gz XIURZEXEPBDMCX-XHSDSOJGSA-N 2 1 366.531 0.378 10 0 FCAEMP O=C(C(=O)N1CCCSCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903727405 675964312 /nfs/dbraw/zinc/96/43/12/675964312.db2.gz YCLCONSBVCMBEP-IYBDPMFKSA-N 2 1 366.531 0.379 10 0 FCAEMP O=C(C(=O)N1CCCSCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903727405 675964315 /nfs/dbraw/zinc/96/43/15/675964315.db2.gz YCLCONSBVCMBEP-IYBDPMFKSA-N 2 1 366.531 0.379 10 0 FCAEMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903732188 675964947 /nfs/dbraw/zinc/96/49/47/675964947.db2.gz QIWRAPQPGRDVQK-QWHCGFSZSA-N 2 1 364.412 0.667 10 0 FCAEMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903753440 675967846 /nfs/dbraw/zinc/96/78/46/675967846.db2.gz PIJFLIIORXMSBH-UMSGYPCISA-N 2 1 362.396 0.277 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903759246 675969160 /nfs/dbraw/zinc/96/91/60/675969160.db2.gz NGSNVMPGTZAREL-RYUDHWBXSA-N 2 1 350.385 0.277 10 0 FCAEMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903759796 675969262 /nfs/dbraw/zinc/96/92/62/675969262.db2.gz QKITUYFLKXMHAN-LPWJVIDDSA-N 2 1 362.396 0.277 10 0 FCAEMP COC(=O)CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903895431 675981117 /nfs/dbraw/zinc/98/11/17/675981117.db2.gz NSDQMAURYBQKRU-GDBMZVCRSA-N 2 1 351.451 0.747 10 0 FCAEMP COC(=O)CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903895431 675981121 /nfs/dbraw/zinc/98/11/21/675981121.db2.gz NSDQMAURYBQKRU-GDBMZVCRSA-N 2 1 351.451 0.747 10 0 FCAEMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549859 672136405 /nfs/dbraw/zinc/13/64/05/672136405.db2.gz KCCONWHUHNTOIV-XOUADPBQSA-N 2 1 352.479 0.937 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912304 675981994 /nfs/dbraw/zinc/98/19/94/675981994.db2.gz CUDIJIDCTMDQLJ-DOTOQJQBSA-N 2 1 369.535 0.346 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cnn1C ZINC000903912304 675981995 /nfs/dbraw/zinc/98/19/95/675981995.db2.gz CUDIJIDCTMDQLJ-DOTOQJQBSA-N 2 1 369.535 0.346 10 0 FCAEMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709899 672290649 /nfs/dbraw/zinc/29/06/49/672290649.db2.gz MXGFMVHSNYUNHF-FPCVCCKLSA-N 2 1 352.479 0.746 10 0 FCAEMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709899 672290651 /nfs/dbraw/zinc/29/06/51/672290651.db2.gz MXGFMVHSNYUNHF-FPCVCCKLSA-N 2 1 352.479 0.746 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997042 672524429 /nfs/dbraw/zinc/52/44/29/672524429.db2.gz JPYIICALKYBCQV-JJXSEGSLSA-N 2 1 350.463 0.644 10 0 FCAEMP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872148542 672594401 /nfs/dbraw/zinc/59/44/01/672594401.db2.gz JTRGHNAEFVCDPM-MFKMUULPSA-N 2 1 367.393 0.782 10 0 FCAEMP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872148542 672594407 /nfs/dbraw/zinc/59/44/07/672594407.db2.gz JTRGHNAEFVCDPM-MFKMUULPSA-N 2 1 367.393 0.782 10 0 FCAEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872191387 672599843 /nfs/dbraw/zinc/59/98/43/672599843.db2.gz YJYUJUHJPRGWLA-XQQFMLRXSA-N 2 1 364.412 0.381 10 0 FCAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872191387 672599845 /nfs/dbraw/zinc/59/98/45/672599845.db2.gz YJYUJUHJPRGWLA-XQQFMLRXSA-N 2 1 364.412 0.381 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N(C)CCCCCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000872192413 672600698 /nfs/dbraw/zinc/60/06/98/672600698.db2.gz WCFKTYAFGPFIPO-HNNXBMFYSA-N 2 1 356.511 0.268 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N(C)CCCCCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000872192413 672600703 /nfs/dbraw/zinc/60/07/03/672600703.db2.gz WCFKTYAFGPFIPO-HNNXBMFYSA-N 2 1 356.511 0.268 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)C1 ZINC000872194714 672602365 /nfs/dbraw/zinc/60/23/65/672602365.db2.gz KEMRUHSVQVCFEK-HUBLWGQQSA-N 2 1 362.396 0.136 10 0 FCAEMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CS(N)(=O)=O ZINC000872233646 672607329 /nfs/dbraw/zinc/60/73/29/672607329.db2.gz DSFCEBNGRPOLNF-KRWDZBQOSA-N 2 1 355.504 0.528 10 0 FCAEMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CS(N)(=O)=O ZINC000872233646 672607332 /nfs/dbraw/zinc/60/73/32/672607332.db2.gz DSFCEBNGRPOLNF-KRWDZBQOSA-N 2 1 355.504 0.528 10 0 FCAEMP C[NH+](C)Cc1cnc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257118 672609339 /nfs/dbraw/zinc/60/93/39/672609339.db2.gz LOSQUHIBYDSQHH-YUTCNCBUSA-N 2 1 351.476 0.572 10 0 FCAEMP CNC(=O)C1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000074322742 673785734 /nfs/dbraw/zinc/78/57/34/673785734.db2.gz AIHGPOPPVNZKHI-HNNXBMFYSA-N 2 1 354.495 0.108 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925314351 673786751 /nfs/dbraw/zinc/78/67/51/673786751.db2.gz DUHULLWQIOZMKH-GDBMZVCRSA-N 2 1 351.495 0.275 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925314351 673786753 /nfs/dbraw/zinc/78/67/53/673786753.db2.gz DUHULLWQIOZMKH-GDBMZVCRSA-N 2 1 351.495 0.275 10 0 FCAEMP COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925500926 673793032 /nfs/dbraw/zinc/79/30/32/673793032.db2.gz AANYWSDAUNGLJB-HOTGVXAUSA-N 2 1 353.488 0.971 10 0 FCAEMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000926442710 673831490 /nfs/dbraw/zinc/83/14/90/673831490.db2.gz LSHYKXFKBLXZKB-VQIMIIECSA-N 2 1 350.507 0.777 10 0 FCAEMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000926442710 673831493 /nfs/dbraw/zinc/83/14/93/673831493.db2.gz LSHYKXFKBLXZKB-VQIMIIECSA-N 2 1 350.507 0.777 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+]1C1CCOCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000927635190 673872257 /nfs/dbraw/zinc/87/22/57/673872257.db2.gz QBMSHBCBJMCCBB-WBVHZDCISA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000927635190 673872262 /nfs/dbraw/zinc/87/22/62/673872262.db2.gz QBMSHBCBJMCCBB-WBVHZDCISA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000927635190 673872267 /nfs/dbraw/zinc/87/22/67/673872267.db2.gz 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FCAEMP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001506788617 1264340750 /nfs/dbraw/zinc/34/07/50/1264340750.db2.gz VBJLLSQPFCYLAK-HHARLNAUSA-N 2 1 364.534 0.925 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CO[C@@H](C[NH2+]CCO)C3)CC2)CC[N@H+]1C ZINC001506873927 1264344563 /nfs/dbraw/zinc/34/45/63/1264344563.db2.gz OBZMJAGUKGAEHM-IXDOHACOSA-N 2 1 353.507 0.696 10 0 FCAEMP COc1c(F)cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC001507198262 1264354693 /nfs/dbraw/zinc/35/46/93/1264354693.db2.gz RMOAUJNBOOFONM-MRVWCRGKSA-N 2 1 371.428 0.880 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC001507479663 1264363004 /nfs/dbraw/zinc/36/30/04/1264363004.db2.gz WHAKNIQMYDZDNE-MDASCCDHSA-N 2 1 361.486 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001510288869 1264491370 /nfs/dbraw/zinc/49/13/70/1264491370.db2.gz BOKHAWGXXBXGQT-OAGGEKHMSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001510288869 1264491375 /nfs/dbraw/zinc/49/13/75/1264491375.db2.gz BOKHAWGXXBXGQT-OAGGEKHMSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCOCCNC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001510288869 1264491378 /nfs/dbraw/zinc/49/13/78/1264491378.db2.gz BOKHAWGXXBXGQT-OAGGEKHMSA-N 2 1 354.495 0.060 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NCCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001512618073 1264635145 /nfs/dbraw/zinc/63/51/45/1264635145.db2.gz JSLIQMWVLYDFHM-GDBMZVCRSA-N 2 1 361.490 0.934 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NCCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001512618073 1264635150 /nfs/dbraw/zinc/63/51/50/1264635150.db2.gz JSLIQMWVLYDFHM-GDBMZVCRSA-N 2 1 361.490 0.934 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC001325391901 1264872337 /nfs/dbraw/zinc/87/23/37/1264872337.db2.gz HBJXYKFSLHCQNB-MXASKKJJSA-N 2 1 360.433 0.507 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC001325391901 1264872353 /nfs/dbraw/zinc/87/23/53/1264872353.db2.gz HBJXYKFSLHCQNB-MXASKKJJSA-N 2 1 360.433 0.507 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001513384658 1265080328 /nfs/dbraw/zinc/08/03/28/1265080328.db2.gz AEJUHFWBBJFOQE-IAGOWNOFSA-N 2 1 368.522 0.545 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001513386674 1265083319 /nfs/dbraw/zinc/08/33/19/1265083319.db2.gz SAZDWJPCYPUWOK-KLHDSHLOSA-N 2 1 354.495 0.009 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001513386674 1265083330 /nfs/dbraw/zinc/08/33/30/1265083330.db2.gz SAZDWJPCYPUWOK-KLHDSHLOSA-N 2 1 354.495 0.009 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001513386674 1265083342 /nfs/dbraw/zinc/08/33/42/1265083342.db2.gz SAZDWJPCYPUWOK-KLHDSHLOSA-N 2 1 354.495 0.009 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001513555244 1265202467 /nfs/dbraw/zinc/20/24/67/1265202467.db2.gz YFYCELORCOTPJE-CVEARBPZSA-N 2 1 368.522 0.279 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001513886056 1265290386 /nfs/dbraw/zinc/29/03/86/1265290386.db2.gz KGCOCRYHLRTQMW-BRWVUGGUSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3cncn3C)C2)CC[N@H+]1C ZINC001327563698 1265358675 /nfs/dbraw/zinc/35/86/75/1265358675.db2.gz MVWNVFMNZUQPTR-YQVWRLOYSA-N 2 1 363.506 0.594 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001327671252 1265391841 /nfs/dbraw/zinc/39/18/41/1265391841.db2.gz QXFZLSOVNBIRSZ-UHFFFAOYSA-N 2 1 361.446 0.145 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001522307698 1266483780 /nfs/dbraw/zinc/48/37/80/1266483780.db2.gz HDZUSVSWURLSLS-HZMVEIRTSA-N 2 1 362.518 0.918 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCCC(F)(F)C1 ZINC001334053824 1266795549 /nfs/dbraw/zinc/79/55/49/1266795549.db2.gz BWBVVZLCURGXKT-GASCZTMLSA-N 2 1 370.444 0.671 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCCC(F)(F)C1 ZINC001334053824 1266795557 /nfs/dbraw/zinc/79/55/57/1266795557.db2.gz BWBVVZLCURGXKT-GASCZTMLSA-N 2 1 370.444 0.671 10 0 FCAEMP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001528037759 1266940784 /nfs/dbraw/zinc/94/07/84/1266940784.db2.gz PZEIAGFTNDTUSQ-QAPCUYQASA-N 2 1 354.495 0.386 10 0 FCAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001334640237 1267119757 /nfs/dbraw/zinc/11/97/57/1267119757.db2.gz JZLBRSOYYHSJQT-FRQCXROJSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC[N@H+]1C ZINC001335215883 1267408217 /nfs/dbraw/zinc/40/82/17/1267408217.db2.gz GNNUIYIFHLXCAN-PVAVHDDUSA-N 2 1 366.506 0.202 10 0 FCAEMP CC[N@H+]1CC[C@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001544375214 1267578382 /nfs/dbraw/zinc/57/83/82/1267578382.db2.gz DXMLRKDCECSGHD-KRWDZBQOSA-N 2 1 366.506 0.158 10 0 FCAEMP CCN1CC[C@H]1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001544375214 1267578394 /nfs/dbraw/zinc/57/83/94/1267578394.db2.gz DXMLRKDCECSGHD-KRWDZBQOSA-N 2 1 366.506 0.158 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC[C@H](CF)C1 ZINC001339224791 1268190712 /nfs/dbraw/zinc/19/07/12/1268190712.db2.gz QHZOPAAKDQNJBD-BMFZPTHFSA-N 2 1 352.454 0.232 10 0 FCAEMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC[C@H](CF)C1 ZINC001339224791 1268190714 /nfs/dbraw/zinc/19/07/14/1268190714.db2.gz QHZOPAAKDQNJBD-BMFZPTHFSA-N 2 1 352.454 0.232 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001341117991 1268791488 /nfs/dbraw/zinc/79/14/88/1268791488.db2.gz CDUIVJZTQXDUIW-DLBZAZTESA-N 2 1 361.490 0.983 10 0 FCAEMP O=C(N1CC([NH2+]C2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001558385450 1269081213 /nfs/dbraw/zinc/08/12/13/1269081213.db2.gz STZOZQDXYKDMRN-FQEVSTJZSA-N 2 1 359.470 0.603 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001342420178 1269465625 /nfs/dbraw/zinc/46/56/25/1269465625.db2.gz WVAUVJJCXDLEJE-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001342420178 1269465628 /nfs/dbraw/zinc/46/56/28/1269465628.db2.gz WVAUVJJCXDLEJE-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001565883573 1269502466 /nfs/dbraw/zinc/50/24/66/1269502466.db2.gz QNXJAAUPRXXLMK-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001565883573 1269502472 /nfs/dbraw/zinc/50/24/72/1269502472.db2.gz QNXJAAUPRXXLMK-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001565919124 1269516998 /nfs/dbraw/zinc/51/69/98/1269516998.db2.gz ADBSVPOKXKTHCI-MELADBBJSA-N 2 1 355.483 0.045 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001565918260 1269517451 /nfs/dbraw/zinc/51/74/51/1269517451.db2.gz JZRMYUAJMAYASS-RRFJBIMHSA-N 2 1 363.462 0.748 10 0 FCAEMP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1)c1ncccn1 ZINC001565926370 1269522251 /nfs/dbraw/zinc/52/22/51/1269522251.db2.gz JQRRKEPSSOBRPN-BHYGNILZSA-N 2 1 371.489 0.807 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001565929833 1269524560 /nfs/dbraw/zinc/52/45/60/1269524560.db2.gz UVOFFRKDDRQVDK-KSZLIROESA-N 2 1 363.506 0.561 10 0 FCAEMP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055371 1269589863 /nfs/dbraw/zinc/58/98/63/1269589863.db2.gz USLMONFTGXZMMF-CEXWTWQISA-N 2 1 370.497 0.787 10 0 FCAEMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055371 1269589869 /nfs/dbraw/zinc/58/98/69/1269589869.db2.gz USLMONFTGXZMMF-CEXWTWQISA-N 2 1 370.497 0.787 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055371 1269589878 /nfs/dbraw/zinc/58/98/78/1269589878.db2.gz USLMONFTGXZMMF-CEXWTWQISA-N 2 1 370.497 0.787 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055371 1269589881 /nfs/dbraw/zinc/58/98/81/1269589881.db2.gz USLMONFTGXZMMF-CEXWTWQISA-N 2 1 370.497 0.787 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH+](C)[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001566059457 1269590355 /nfs/dbraw/zinc/59/03/55/1269590355.db2.gz SQSFDHPWWDGEFI-GVDBMIGSSA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[N@H+](C)[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001566059457 1269590361 /nfs/dbraw/zinc/59/03/61/1269590361.db2.gz SQSFDHPWWDGEFI-GVDBMIGSSA-N 2 1 368.522 0.354 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[N@@H+](C)[C@@H]2CCN(C)C2=O)CC[NH+]1C ZINC001566059457 1269590366 /nfs/dbraw/zinc/59/03/66/1269590366.db2.gz SQSFDHPWWDGEFI-GVDBMIGSSA-N 2 1 368.522 0.354 10 0 FCAEMP C[C@H](C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C)CS(C)(=O)=O ZINC001566109256 1269610330 /nfs/dbraw/zinc/61/03/30/1269610330.db2.gz FIBMPYNDVVKVKR-KFWWJZLASA-N 2 1 357.520 0.342 10 0 FCAEMP C[C@H](C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C)CS(C)(=O)=O ZINC001566109256 1269610334 /nfs/dbraw/zinc/61/03/34/1269610334.db2.gz FIBMPYNDVVKVKR-KFWWJZLASA-N 2 1 357.520 0.342 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001566983921 1269672855 /nfs/dbraw/zinc/67/28/55/1269672855.db2.gz OWWQGHWWTMDFSX-XSCHDIRWSA-N 2 1 363.462 0.970 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001567442557 1269694044 /nfs/dbraw/zinc/69/40/44/1269694044.db2.gz JAKBBQQAGSNJKN-GVDBMIGSSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C2CC2)[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001567442557 1269694050 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C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC001647983600 1291091397 /nfs/dbraw/zinc/09/13/97/1291091397.db2.gz MLPVWRDSNQMCQY-UHFFFAOYSA-N 2 1 372.510 0.670 10 0 FCAEMP C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC001647983600 1291091401 /nfs/dbraw/zinc/09/14/01/1291091401.db2.gz MLPVWRDSNQMCQY-UHFFFAOYSA-N 2 1 372.510 0.670 10 0 FCAEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC001653531909 1291351310 /nfs/dbraw/zinc/35/13/10/1291351310.db2.gz AGBVAVVDIBKWBD-IAGOWNOFSA-N 2 1 369.506 0.973 10 0 FCAEMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401474 1291519435 /nfs/dbraw/zinc/51/94/35/1291519435.db2.gz BTENORHSSHCYQM-KSZLIROESA-N 2 1 363.506 0.681 10 0 FCAEMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001656401474 1291519443 /nfs/dbraw/zinc/51/94/43/1291519443.db2.gz BTENORHSSHCYQM-KSZLIROESA-N 2 1 363.506 0.681 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cc(OC)ccn2)CC[N@H+]1C ZINC001667827480 1291944560 /nfs/dbraw/zinc/94/45/60/1291944560.db2.gz SXQFOUWUZKHMTB-HYVNUMGLSA-N 2 1 350.463 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc3nonc3c2)CC[N@H+]1C ZINC001667827765 1291944901 /nfs/dbraw/zinc/94/49/01/1291944901.db2.gz VJGPAKDRZOTQTN-GRDNDAEWSA-N 2 1 361.446 0.520 10 0 FCAEMP Cc1ncsc1CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671998591 1292054171 /nfs/dbraw/zinc/05/41/71/1292054171.db2.gz KPXKVDZWZUGWEL-IIDMSEBBSA-N 2 1 366.531 0.887 10 0 FCAEMP Cc1ncsc1CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998591 1292054180 /nfs/dbraw/zinc/05/41/80/1292054180.db2.gz KPXKVDZWZUGWEL-IIDMSEBBSA-N 2 1 366.531 0.887 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CCNC(=O)C4CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001672416933 1292079461 /nfs/dbraw/zinc/07/94/61/1292079461.db2.gz UCKSAICUNOLRAZ-XWTMOSNGSA-N 2 1 362.518 0.633 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001672416933 1292079471 /nfs/dbraw/zinc/07/94/71/1292079471.db2.gz UCKSAICUNOLRAZ-XWTMOSNGSA-N 2 1 362.518 0.633 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001672416933 1292079480 /nfs/dbraw/zinc/07/94/80/1292079480.db2.gz UCKSAICUNOLRAZ-XWTMOSNGSA-N 2 1 362.518 0.633 10 0 FCAEMP Cc1nocc1C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001672487764 1292084085 /nfs/dbraw/zinc/08/40/85/1292084085.db2.gz XJFLDVIMWQTMBD-KYJSFNMBSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1nocc1C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001672487764 1292084090 /nfs/dbraw/zinc/08/40/90/1292084090.db2.gz XJFLDVIMWQTMBD-KYJSFNMBSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1nocc1C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001672487764 1292084099 /nfs/dbraw/zinc/08/40/99/1292084099.db2.gz XJFLDVIMWQTMBD-KYJSFNMBSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1nocc1C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001672487764 1292084103 /nfs/dbraw/zinc/08/41/03/1292084103.db2.gz XJFLDVIMWQTMBD-KYJSFNMBSA-N 2 1 350.463 0.766 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCC3CCOCC3)C2)CC[N@H+]1C ZINC001673274113 1292103155 /nfs/dbraw/zinc/10/31/55/1292103155.db2.gz MTXGRYXKKBNUTM-BPQIPLTHSA-N 2 1 353.507 0.960 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)CC(F)(F)F ZINC001674925829 1292159149 /nfs/dbraw/zinc/15/91/49/1292159149.db2.gz PVUYIUQQMZKQEK-JHJVBQTASA-N 2 1 366.428 0.784 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)N(C)CC(F)(F)F ZINC001674925829 1292159153 /nfs/dbraw/zinc/15/91/53/1292159153.db2.gz PVUYIUQQMZKQEK-JHJVBQTASA-N 2 1 366.428 0.784 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)N(C)CC(F)(F)F ZINC001674925829 1292159154 /nfs/dbraw/zinc/15/91/54/1292159154.db2.gz PVUYIUQQMZKQEK-JHJVBQTASA-N 2 1 366.428 0.784 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)N(C)CC(F)(F)F ZINC001674925829 1292159159 /nfs/dbraw/zinc/15/91/59/1292159159.db2.gz PVUYIUQQMZKQEK-JHJVBQTASA-N 2 1 366.428 0.784 10 0 FCAEMP CNC(=O)NC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001675123970 1292167209 /nfs/dbraw/zinc/16/72/09/1292167209.db2.gz DRUMRAALROHBRD-KFWWJZLASA-N 2 1 369.510 0.245 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCc2ccnn2C)CC[N@H+]1C ZINC001677157403 1292225586 /nfs/dbraw/zinc/22/55/86/1292225586.db2.gz VPXBGFUFWABQTF-DJIMGWMZSA-N 2 1 351.495 0.054 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCc2ccnn2C)CC[NH+]1C ZINC001677157403 1292225588 /nfs/dbraw/zinc/22/55/88/1292225588.db2.gz VPXBGFUFWABQTF-DJIMGWMZSA-N 2 1 351.495 0.054 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCc2ccnn2C)CC[NH+]1C ZINC001677157403 1292225595 /nfs/dbraw/zinc/22/55/95/1292225595.db2.gz VPXBGFUFWABQTF-DJIMGWMZSA-N 2 1 351.495 0.054 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001678879026 1292284531 /nfs/dbraw/zinc/28/45/31/1292284531.db2.gz KAWNBCKTXRNACF-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001684743419 1292328054 /nfs/dbraw/zinc/32/80/54/1292328054.db2.gz UVBXETBLJCRTMD-SJORKVTESA-N 2 1 368.522 0.404 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCN1C(=O)C[NH+](CC)CC ZINC001684931592 1292369274 /nfs/dbraw/zinc/36/92/74/1292369274.db2.gz VNRSZOHZNGLPGI-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCN1C(=O)C[NH+](CC)CC ZINC001684931592 1292369284 /nfs/dbraw/zinc/36/92/84/1292369284.db2.gz VNRSZOHZNGLPGI-BBWFWOEESA-N 2 1 368.522 0.545 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)C1 ZINC001685370632 1292517217 /nfs/dbraw/zinc/51/72/17/1292517217.db2.gz JDLXBFYTCUVRNH-PMPSAXMXSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)C1 ZINC001685370632 1292517223 /nfs/dbraw/zinc/51/72/23/1292517223.db2.gz JDLXBFYTCUVRNH-PMPSAXMXSA-N 2 1 366.506 0.155 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001686242372 1292848303 /nfs/dbraw/zinc/84/83/03/1292848303.db2.gz HDIDVJSULZDJLZ-VQHPVUNQSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1C ZINC001687037311 1292976747 /nfs/dbraw/zinc/97/67/47/1292976747.db2.gz MFDRPUUBWWTACK-HUUCEWRRSA-N 2 1 364.494 0.021 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001277494529 861902743 /nfs/dbraw/zinc/90/27/43/861902743.db2.gz UKIJOLUVCOXZQV-HUUCEWRRSA-N 2 1 356.511 0.306 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001277494529 861902759 /nfs/dbraw/zinc/90/27/59/861902759.db2.gz UKIJOLUVCOXZQV-HUUCEWRRSA-N 2 1 356.511 0.306 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[N@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001277494529 861902768 /nfs/dbraw/zinc/90/27/68/861902768.db2.gz UKIJOLUVCOXZQV-HUUCEWRRSA-N 2 1 356.511 0.306 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[N@@H+](C)CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001277494529 861902781 /nfs/dbraw/zinc/90/27/81/861902781.db2.gz UKIJOLUVCOXZQV-HUUCEWRRSA-N 2 1 356.511 0.306 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001140236565 849356505 /nfs/dbraw/zinc/35/65/05/849356505.db2.gz LHIRPYXJFGDIOA-OAHLLOKOSA-N 2 1 356.486 0.869 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)OCC(F)(F)F ZINC001146978011 849571491 /nfs/dbraw/zinc/57/14/91/849571491.db2.gz QDHOPAODFPTGGT-NSHDSACASA-N 2 1 356.389 0.663 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNC(=O)OCC(F)(F)F ZINC001146978011 849571497 /nfs/dbraw/zinc/57/14/97/849571497.db2.gz QDHOPAODFPTGGT-NSHDSACASA-N 2 1 356.389 0.663 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCOCCO)CC3)CC[N@H+]1C ZINC001278453815 862333658 /nfs/dbraw/zinc/33/36/58/862333658.db2.gz YRYDLNBKHHDISX-MJQMVNBJSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCOCCO)CC3)CC[NH+]1C ZINC001278453815 862333680 /nfs/dbraw/zinc/33/36/80/862333680.db2.gz YRYDLNBKHHDISX-MJQMVNBJSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCOCCO)CC3)CC[NH+]1C ZINC001278453815 862333700 /nfs/dbraw/zinc/33/37/00/862333700.db2.gz YRYDLNBKHHDISX-MJQMVNBJSA-N 2 1 353.507 0.839 10 0 FCAEMP Cc1nnsc1CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782219 862475399 /nfs/dbraw/zinc/47/53/99/862475399.db2.gz TXWZFUIFWILCQA-IOASZLSFSA-N 2 1 353.492 0.240 10 0 FCAEMP Cc1nnsc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278782219 862475411 /nfs/dbraw/zinc/47/54/11/862475411.db2.gz TXWZFUIFWILCQA-IOASZLSFSA-N 2 1 353.492 0.240 10 0 FCAEMP Cc1nnsc1C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782219 862475420 /nfs/dbraw/zinc/47/54/20/862475420.db2.gz TXWZFUIFWILCQA-IOASZLSFSA-N 2 1 353.492 0.240 10 0 FCAEMP Cc1nnsc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278782219 862475433 /nfs/dbraw/zinc/47/54/33/862475433.db2.gz TXWZFUIFWILCQA-IOASZLSFSA-N 2 1 353.492 0.240 10 0 FCAEMP Cc1nnsc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278782219 862475444 /nfs/dbraw/zinc/47/54/44/862475444.db2.gz TXWZFUIFWILCQA-IOASZLSFSA-N 2 1 353.492 0.240 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001263782267 859212332 /nfs/dbraw/zinc/21/23/32/859212332.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001263782267 859212341 /nfs/dbraw/zinc/21/23/41/859212341.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001263782267 859212349 /nfs/dbraw/zinc/21/23/49/859212349.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001263782267 859212356 /nfs/dbraw/zinc/21/23/56/859212356.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001263782267 859212363 /nfs/dbraw/zinc/21/23/63/859212363.db2.gz BUCNUHNSTODRRB-RYQLBKOJSA-N 2 1 351.539 0.994 10 0 FCAEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001263926139 859245322 /nfs/dbraw/zinc/24/53/22/859245322.db2.gz GMQWYADDOCKTMH-YQQAZPJKSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCOCCNC(C)=O ZINC001264047498 859284251 /nfs/dbraw/zinc/28/42/51/859284251.db2.gz GVKGYULDGJZOTN-BBWFWOEESA-N 2 1 354.495 0.202 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOCCNC(C)=O ZINC001264047498 859284257 /nfs/dbraw/zinc/28/42/57/859284257.db2.gz GVKGYULDGJZOTN-BBWFWOEESA-N 2 1 354.495 0.202 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCOCCNC(C)=O ZINC001264047498 859284260 /nfs/dbraw/zinc/28/42/60/859284260.db2.gz GVKGYULDGJZOTN-BBWFWOEESA-N 2 1 354.495 0.202 10 0 FCAEMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001264092947 859308871 /nfs/dbraw/zinc/30/88/71/859308871.db2.gz BPZNADJSNMOUFZ-IXDOHACOSA-N 2 1 353.507 0.648 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCc1ccns1 ZINC001264165097 859337299 /nfs/dbraw/zinc/33/72/99/859337299.db2.gz XVSGZDNAYJBNMY-ZBFHGGJFSA-N 2 1 352.504 0.987 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCc1ccns1 ZINC001264165097 859337302 /nfs/dbraw/zinc/33/73/02/859337302.db2.gz XVSGZDNAYJBNMY-ZBFHGGJFSA-N 2 1 352.504 0.987 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C[NH2+]CC(=O)NC ZINC001264538650 859378038 /nfs/dbraw/zinc/37/80/38/859378038.db2.gz DUYBROQHSHNCBH-BZUAXINKSA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001264626228 859405313 /nfs/dbraw/zinc/40/53/13/859405313.db2.gz WHNDOBJOPNSTNJ-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001264626228 859405318 /nfs/dbraw/zinc/40/53/18/859405318.db2.gz WHNDOBJOPNSTNJ-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001264626228 859405323 /nfs/dbraw/zinc/40/53/23/859405323.db2.gz WHNDOBJOPNSTNJ-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001264626228 859405325 /nfs/dbraw/zinc/40/53/25/859405325.db2.gz WHNDOBJOPNSTNJ-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP COCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001264701335 859427202 /nfs/dbraw/zinc/42/72/02/859427202.db2.gz PZRJQAVXTSWRNC-FPCVCCKLSA-N 2 1 354.495 0.058 10 0 FCAEMP 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1 350.463 0.882 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000125767807 488604087 /nfs/dbraw/zinc/60/40/87/488604087.db2.gz OZDJIOFXXUSARZ-WBVHZDCISA-N 2 1 350.507 0.966 10 0 FCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000263276744 488608664 /nfs/dbraw/zinc/60/86/64/488608664.db2.gz SWRAQGMLOJKIMR-CJNGLKHVSA-N 2 1 370.291 0.956 10 0 FCAEMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@H](C)C1 ZINC000128380251 488624340 /nfs/dbraw/zinc/62/43/40/488624340.db2.gz SHYXLLBDVQMIBC-GDBMZVCRSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@H](C)C1 ZINC000128380251 488624341 /nfs/dbraw/zinc/62/43/41/488624341.db2.gz SHYXLLBDVQMIBC-GDBMZVCRSA-N 2 1 353.511 0.569 10 0 FCAEMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)COCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155400190 488755506 /nfs/dbraw/zinc/75/55/06/488755506.db2.gz JCHZWHGFACKJJC-YHUYYLMFSA-N 2 1 354.495 0.105 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000164455514 488810588 /nfs/dbraw/zinc/81/05/88/488810588.db2.gz HBZSEXMIODKPSM-GJZGRUSLSA-N 2 1 362.474 0.912 10 0 FCAEMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000171319926 488822273 /nfs/dbraw/zinc/82/22/73/488822273.db2.gz ISCSZGPDALHKEK-KRWDZBQOSA-N 2 1 361.490 0.871 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000174748872 488850893 /nfs/dbraw/zinc/85/08/93/488850893.db2.gz HOSICTBRWNKNRA-IAGOWNOFSA-N 3 1 355.527 0.375 10 0 FCAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000174898111 488851794 /nfs/dbraw/zinc/85/17/94/488851794.db2.gz OAJZECOKFMDIPB-MRXNPFEDSA-N 2 1 365.522 0.809 10 0 FCAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000174898111 488851795 /nfs/dbraw/zinc/85/17/95/488851795.db2.gz OAJZECOKFMDIPB-MRXNPFEDSA-N 2 1 365.522 0.809 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000175808298 488855959 /nfs/dbraw/zinc/85/59/59/488855959.db2.gz LDMAMJRZTDKWFQ-ROUUACIJSA-N 2 1 369.554 0.406 10 0 FCAEMP CNC(=O)Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000177599377 488859502 /nfs/dbraw/zinc/85/95/02/488859502.db2.gz HMARUJDVHJHFFX-CYBMUJFWSA-N 2 1 354.520 0.956 10 0 FCAEMP CNC(=O)Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000177599377 488859503 /nfs/dbraw/zinc/85/95/03/488859503.db2.gz HMARUJDVHJHFFX-CYBMUJFWSA-N 2 1 354.520 0.956 10 0 FCAEMP CC[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000182053867 488863933 /nfs/dbraw/zinc/86/39/33/488863933.db2.gz NBARVXORYXBRAZ-IAGOWNOFSA-N 2 1 369.554 0.499 10 0 FCAEMP COC(C)(C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000289311837 489058083 /nfs/dbraw/zinc/05/80/83/489058083.db2.gz JYAKVQVOLXNFQZ-UHFFFAOYSA-N 2 1 370.519 0.938 10 0 FCAEMP COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366484125 489187811 /nfs/dbraw/zinc/18/78/11/489187811.db2.gz RZRJBTWLDGTRDW-OBHPCNEJSA-N 2 1 353.488 0.994 10 0 FCAEMP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484125 489187814 /nfs/dbraw/zinc/18/78/14/489187814.db2.gz RZRJBTWLDGTRDW-OBHPCNEJSA-N 2 1 353.488 0.994 10 0 FCAEMP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484125 489187817 /nfs/dbraw/zinc/18/78/17/489187817.db2.gz RZRJBTWLDGTRDW-OBHPCNEJSA-N 2 1 353.488 0.994 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)N2CCN(CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000332982377 489253951 /nfs/dbraw/zinc/25/39/51/489253951.db2.gz XUZNRARBZUXFEQ-GJZGRUSLSA-N 2 1 351.495 0.417 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000332982377 489253953 /nfs/dbraw/zinc/25/39/53/489253953.db2.gz XUZNRARBZUXFEQ-GJZGRUSLSA-N 2 1 351.495 0.417 10 0 FCAEMP CC[N@@H+](CCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)C1CC1 ZINC000563457158 491249244 /nfs/dbraw/zinc/24/92/44/491249244.db2.gz JADQIDCXOYMFFB-UHFFFAOYSA-N 2 1 353.511 0.761 10 0 FCAEMP COC[C@@](C)(CCO)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000361764116 489365135 /nfs/dbraw/zinc/36/51/35/489365135.db2.gz RXPHLSCQRSLBIP-GOSISDBHSA-N 2 1 371.522 0.515 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)cn2)CC1 ZINC000362333833 489383387 /nfs/dbraw/zinc/38/33/87/489383387.db2.gz DYUOTCRCYHJLQG-IRXDYDNUSA-N 2 1 358.490 0.719 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)cn2)CC1 ZINC000362333833 489383389 /nfs/dbraw/zinc/38/33/89/489383389.db2.gz DYUOTCRCYHJLQG-IRXDYDNUSA-N 2 1 358.490 0.719 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000563540983 491253724 /nfs/dbraw/zinc/25/37/24/491253724.db2.gz BQVFSQMUKBIXNH-HZPDHXFCSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555615378 491259757 /nfs/dbraw/zinc/25/97/57/491259757.db2.gz UTACDHYTJGRCPR-HNNXBMFYSA-N 2 1 368.522 0.639 10 0 FCAEMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000415787584 489553244 /nfs/dbraw/zinc/55/32/44/489553244.db2.gz QNCHCSFQPSMUEQ-SFHVURJKSA-N 2 1 366.437 0.726 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC000372293602 489567512 /nfs/dbraw/zinc/56/75/12/489567512.db2.gz JCUAFSLGWQTSHM-UHFFFAOYSA-N 2 1 369.466 0.058 10 0 FCAEMP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cn2)C[C@@H](C)O1 ZINC000372356682 489575034 /nfs/dbraw/zinc/57/50/34/489575034.db2.gz MJFQHTLIQSFOAJ-NUJGCVRESA-N 2 1 373.501 0.701 10 0 FCAEMP C[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000427142974 489596444 /nfs/dbraw/zinc/59/64/44/489596444.db2.gz LFDKKQTUUDTWOW-ROUUACIJSA-N 2 1 352.523 0.726 10 0 FCAEMP COCC[N@@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000372625828 489611510 /nfs/dbraw/zinc/61/15/10/489611510.db2.gz RMSRZZGDNFQXLH-UHFFFAOYSA-N 2 1 361.490 0.628 10 0 FCAEMP COCC[N@H+]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000372625828 489611513 /nfs/dbraw/zinc/61/15/13/489611513.db2.gz RMSRZZGDNFQXLH-UHFFFAOYSA-N 2 1 361.490 0.628 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416958120 489636216 /nfs/dbraw/zinc/63/62/16/489636216.db2.gz SWQPFYPTAXXAGK-JKSUJKDBSA-N 2 1 361.494 0.286 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417384338 489651224 /nfs/dbraw/zinc/65/12/24/489651224.db2.gz KZBILTLWPHRNFH-AEFFLSMTSA-N 2 1 360.506 0.891 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417434525 489653496 /nfs/dbraw/zinc/65/34/96/489653496.db2.gz XHNRCWNHBYGECY-QWHCGFSZSA-N 2 1 361.437 0.226 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417564174 489658878 /nfs/dbraw/zinc/65/88/78/489658878.db2.gz IIUNQDONXSSFAL-JKSUJKDBSA-N 2 1 369.510 0.126 10 0 FCAEMP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C[C@@H]2C)[C@@H](C)C1 ZINC000458396942 489681225 /nfs/dbraw/zinc/68/12/25/489681225.db2.gz DLCJHQDAJBKTSW-BZSNNMDCSA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C[C@@H]2C)[C@@H](C)C1 ZINC000458396942 489681228 /nfs/dbraw/zinc/68/12/28/489681228.db2.gz DLCJHQDAJBKTSW-BZSNNMDCSA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)[C@@H](C)C1 ZINC000458396942 489681230 /nfs/dbraw/zinc/68/12/30/489681230.db2.gz DLCJHQDAJBKTSW-BZSNNMDCSA-N 2 1 370.538 0.831 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)[C@@H](C)C1 ZINC000458396942 489681233 /nfs/dbraw/zinc/68/12/33/489681233.db2.gz DLCJHQDAJBKTSW-BZSNNMDCSA-N 2 1 370.538 0.831 10 0 FCAEMP CC(C)C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)NCC[NH+](C)C ZINC000458835890 489703917 /nfs/dbraw/zinc/70/39/17/489703917.db2.gz DPMKOVQGRUIBBD-INIZCTEOSA-N 2 1 371.526 0.100 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459628071 489742369 /nfs/dbraw/zinc/74/23/69/489742369.db2.gz FKSCCTGZMMBDBQ-YVWKXTFCSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459628071 489742373 /nfs/dbraw/zinc/74/23/73/489742373.db2.gz FKSCCTGZMMBDBQ-YVWKXTFCSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](O)(CO)C1 ZINC000459628071 489742378 /nfs/dbraw/zinc/74/23/78/489742378.db2.gz FKSCCTGZMMBDBQ-YVWKXTFCSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](O)(CO)C1 ZINC000459628071 489742382 /nfs/dbraw/zinc/74/23/82/489742382.db2.gz FKSCCTGZMMBDBQ-YVWKXTFCSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459628068 489742545 /nfs/dbraw/zinc/74/25/45/489742545.db2.gz FKSCCTGZMMBDBQ-IMFGXOCKSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459628068 489742547 /nfs/dbraw/zinc/74/25/47/489742547.db2.gz FKSCCTGZMMBDBQ-IMFGXOCKSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](O)(CO)C1 ZINC000459628068 489742550 /nfs/dbraw/zinc/74/25/50/489742550.db2.gz FKSCCTGZMMBDBQ-IMFGXOCKSA-N 2 1 361.486 0.585 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@](O)(CO)C1 ZINC000459628068 489742554 /nfs/dbraw/zinc/74/25/54/489742554.db2.gz FKSCCTGZMMBDBQ-IMFGXOCKSA-N 2 1 361.486 0.585 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418881059 489773060 /nfs/dbraw/zinc/77/30/60/489773060.db2.gz QNSNXMFZMGPJPQ-JEBQAFNWSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418881059 489773065 /nfs/dbraw/zinc/77/30/65/489773065.db2.gz QNSNXMFZMGPJPQ-JEBQAFNWSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418881061 489773097 /nfs/dbraw/zinc/77/30/97/489773097.db2.gz QNSNXMFZMGPJPQ-MORSLUCNSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418881061 489773101 /nfs/dbraw/zinc/77/31/01/489773101.db2.gz QNSNXMFZMGPJPQ-MORSLUCNSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418882793 489773476 /nfs/dbraw/zinc/77/34/76/489773476.db2.gz UFMXFAJAYVZSRJ-AFAVFJNCSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418882793 489773480 /nfs/dbraw/zinc/77/34/80/489773480.db2.gz UFMXFAJAYVZSRJ-AFAVFJNCSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418882803 489773730 /nfs/dbraw/zinc/77/37/30/489773730.db2.gz UFMXFAJAYVZSRJ-VUCTXSBTSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418882803 489773734 /nfs/dbraw/zinc/77/37/34/489773734.db2.gz UFMXFAJAYVZSRJ-VUCTXSBTSA-N 2 1 360.458 0.553 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418883334 489774717 /nfs/dbraw/zinc/77/47/17/489774717.db2.gz UXYMPHOULCJGEH-WBVHZDCISA-N 2 1 362.474 0.420 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418885601 489775592 /nfs/dbraw/zinc/77/55/92/489775592.db2.gz ZBKKCZMOYNUCCE-FSPWUOQZSA-N 2 1 374.485 0.800 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418885601 489775597 /nfs/dbraw/zinc/77/55/97/489775597.db2.gz ZBKKCZMOYNUCCE-FSPWUOQZSA-N 2 1 374.485 0.800 10 0 FCAEMP CN1CC[C@@H](NC(=O)C(=O)N2CCNCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899186 489781008 /nfs/dbraw/zinc/78/10/08/489781008.db2.gz BPRZMDKVQHSPOP-HUUCEWRRSA-N 2 1 352.385 0.258 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000418900694 489782086 /nfs/dbraw/zinc/78/20/86/489782086.db2.gz DJRNYTDGDRLXCC-DDBAPUKQSA-N 2 1 358.486 0.991 10 0 FCAEMP 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IXQOMBOSLJIIGA-BPQIPLTHSA-N 2 1 367.515 0.947 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379674641 490126399 /nfs/dbraw/zinc/12/63/99/490126399.db2.gz UYQHDBITEJTUDL-QZTJIDSGSA-N 2 1 367.515 0.949 10 0 FCAEMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000388479743 490133770 /nfs/dbraw/zinc/13/37/70/490133770.db2.gz ASNHTMCPDCAUPJ-ROUUACIJSA-N 2 1 367.515 0.901 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cn1cncn1 ZINC000465792790 490142838 /nfs/dbraw/zinc/14/28/38/490142838.db2.gz SVTSJBLBEDYDEI-CVEARBPZSA-N 2 1 351.499 0.724 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000520605929 490169757 /nfs/dbraw/zinc/16/97/57/490169757.db2.gz GYZZYHFMIRCYCN-IRXDYDNUSA-N 2 1 352.523 0.977 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000556273964 491307788 /nfs/dbraw/zinc/30/77/88/491307788.db2.gz UPKPHNWLYZRMBU-SJORKVTESA-N 2 1 368.522 0.545 10 0 FCAEMP 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MSRTYYMNOMHYDW-INIZCTEOSA-N 2 1 374.533 0.517 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000549985348 490616700 /nfs/dbraw/zinc/61/67/00/490616700.db2.gz POMHCKJPKYSSFF-INIZCTEOSA-N 2 1 368.522 0.594 10 0 FCAEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511983088 490647799 /nfs/dbraw/zinc/64/77/99/490647799.db2.gz OMVFOIBMUXPUDE-JCYILVPMSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511983088 490647804 /nfs/dbraw/zinc/64/78/04/490647804.db2.gz OMVFOIBMUXPUDE-JCYILVPMSA-N 2 1 350.507 0.918 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000556886881 491342521 /nfs/dbraw/zinc/34/25/21/491342521.db2.gz PRWDRKQSZGPECB-OWSLCNJRSA-N 2 1 350.507 0.382 10 0 FCAEMP CCN1CC[NH+](CCC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000527028502 490693486 /nfs/dbraw/zinc/69/34/86/490693486.db2.gz XNSLJOIFVPNXIV-UHFFFAOYSA-N 2 1 361.490 0.766 10 0 FCAEMP 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C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)C2)C1 ZINC000643590070 492500673 /nfs/dbraw/zinc/50/06/73/492500673.db2.gz DJTVLXCTBHNSGF-YLJYHZDGSA-N 2 1 371.485 0.499 10 0 FCAEMP COCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000656069423 492530428 /nfs/dbraw/zinc/53/04/28/492530428.db2.gz BHSYHUPHRQASMF-INIZCTEOSA-N 2 1 366.506 0.156 10 0 FCAEMP COCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000656069423 492530429 /nfs/dbraw/zinc/53/04/29/492530429.db2.gz BHSYHUPHRQASMF-INIZCTEOSA-N 2 1 366.506 0.156 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069751 492531543 /nfs/dbraw/zinc/53/15/43/492531543.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 1 366.506 0.295 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069751 492531546 /nfs/dbraw/zinc/53/15/46/492531546.db2.gz OHJUZMIKAAQGDF-PNBKFKSVSA-N 2 1 366.506 0.295 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000656080165 492541502 /nfs/dbraw/zinc/54/15/02/492541502.db2.gz PKZLMDAVPMRJFR-YESZJQIVSA-N 2 1 350.507 0.633 10 0 FCAEMP CCN1CC[NH+](Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)CC1 ZINC000649350619 492544556 /nfs/dbraw/zinc/54/45/56/492544556.db2.gz SKSKSZRPCOEDPU-UHFFFAOYSA-N 2 1 360.502 0.819 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414938 492552663 /nfs/dbraw/zinc/55/26/63/492552663.db2.gz ALOADONPZZGNQM-FGTMMUONSA-N 2 1 372.517 0.978 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414938 492552666 /nfs/dbraw/zinc/55/26/66/492552666.db2.gz ALOADONPZZGNQM-FGTMMUONSA-N 2 1 372.517 0.978 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000656294500 492573846 /nfs/dbraw/zinc/57/38/46/492573846.db2.gz BASDINOPSGJQEJ-RHNCMZPLSA-N 2 1 358.486 0.617 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000656294500 492573848 /nfs/dbraw/zinc/57/38/48/492573848.db2.gz BASDINOPSGJQEJ-RHNCMZPLSA-N 2 1 358.486 0.617 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656334918 492599215 /nfs/dbraw/zinc/59/92/15/492599215.db2.gz UWPDWFPSTPDJDU-NMNMXBMNSA-N 2 1 366.506 0.199 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000629568297 492647148 /nfs/dbraw/zinc/64/71/48/492647148.db2.gz ITDHFIKVJBJBGQ-HUUCEWRRSA-N 2 1 351.447 0.499 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000629572206 492650379 /nfs/dbraw/zinc/65/03/79/492650379.db2.gz XUZHMCNJQMODGD-UHFFFAOYSA-N 2 1 362.518 0.807 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000629572206 492650382 /nfs/dbraw/zinc/65/03/82/492650382.db2.gz XUZHMCNJQMODGD-UHFFFAOYSA-N 2 1 362.518 0.807 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000650568023 492650956 /nfs/dbraw/zinc/65/09/56/492650956.db2.gz ONEIQOFRCSIBGK-GOSISDBHSA-N 2 1 373.501 0.676 10 0 FCAEMP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCCC[C@@H]1C ZINC000650642120 492657536 /nfs/dbraw/zinc/65/75/36/492657536.db2.gz UBBYWIQQFQLJMU-JKSUJKDBSA-N 2 1 353.511 0.665 10 0 FCAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629800412 492678424 /nfs/dbraw/zinc/67/84/24/492678424.db2.gz SHBBFVUZQAKRNR-LZQZEXGQSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650892822 492682624 /nfs/dbraw/zinc/68/26/24/492682624.db2.gz ZUJHKXFRIWVMTR-MRXNPFEDSA-N 2 1 353.511 0.666 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000651192196 492720419 /nfs/dbraw/zinc/72/04/19/492720419.db2.gz FDTMMEMCJSAGJA-UHFFFAOYSA-N 2 1 367.538 0.914 10 0 FCAEMP Cc1cnn(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000657823459 492799298 /nfs/dbraw/zinc/79/92/98/492799298.db2.gz HEOKWSARGMQWMJ-UHFFFAOYSA-N 2 1 350.467 0.151 10 0 FCAEMP C[NH+](C)CCn1cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000631141755 492799973 /nfs/dbraw/zinc/79/99/73/492799973.db2.gz WUVWOQQBXUPPEG-GOSISDBHSA-N 2 1 362.522 0.687 10 0 FCAEMP C[C@H](CNS(=O)(=O)C[C@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000631724192 492841296 /nfs/dbraw/zinc/84/12/96/492841296.db2.gz YQVSFSHKARGORP-CRAIPNDOSA-N 2 1 367.515 0.683 10 0 FCAEMP C[C@H](CNS(=O)(=O)C[C@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631724192 492841298 /nfs/dbraw/zinc/84/12/98/492841298.db2.gz YQVSFSHKARGORP-CRAIPNDOSA-N 2 1 367.515 0.683 10 0 FCAEMP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820901 492858951 /nfs/dbraw/zinc/85/89/51/492858951.db2.gz JVUQKOGYKUSPMH-ZDUSSCGKSA-N 2 1 364.412 0.541 10 0 FCAEMP CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631820901 492858958 /nfs/dbraw/zinc/85/89/58/492858958.db2.gz JVUQKOGYKUSPMH-ZDUSSCGKSA-N 2 1 364.412 0.541 10 0 FCAEMP C[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000645220133 492879701 /nfs/dbraw/zinc/87/97/01/492879701.db2.gz NBAAGHAFVFVSHE-OWCLPIDISA-N 2 1 353.511 0.868 10 0 FCAEMP Cc1ccc([C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000631917920 492883328 /nfs/dbraw/zinc/88/33/28/492883328.db2.gz WQTADUUZXHRAGL-HUUCEWRRSA-N 2 1 357.476 0.633 10 0 FCAEMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000631918766 492883688 /nfs/dbraw/zinc/88/36/88/492883688.db2.gz LUNFJEJJHXMTOT-KRWDZBQOSA-N 2 1 373.567 0.017 10 0 FCAEMP C[NH+](C)[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000631925059 492887275 /nfs/dbraw/zinc/88/72/75/492887275.db2.gz LWMONWSEQHEOIS-CABCVRRESA-N 2 1 361.895 0.851 10 0 FCAEMP C[NH+](C)CCCS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000631930225 492890525 /nfs/dbraw/zinc/89/05/25/492890525.db2.gz ADXNAPHFYJCXPF-UHFFFAOYSA-N 2 1 374.551 0.144 10 0 FCAEMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631950868 492897230 /nfs/dbraw/zinc/89/72/30/492897230.db2.gz SMZMPKOSTRJIKJ-QZTJIDSGSA-N 2 1 367.515 0.553 10 0 FCAEMP Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000631981984 492903027 /nfs/dbraw/zinc/90/30/27/492903027.db2.gz LJRXPFFOWXIRNQ-SJORKVTESA-N 2 1 353.488 0.477 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638429210 492946318 /nfs/dbraw/zinc/94/63/18/492946318.db2.gz IBLDMKMFQYSANB-UYAOXDASSA-N 2 1 360.502 0.674 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638429210 492946324 /nfs/dbraw/zinc/94/63/24/492946324.db2.gz IBLDMKMFQYSANB-UYAOXDASSA-N 2 1 360.502 0.674 10 0 FCAEMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000645622636 492946858 /nfs/dbraw/zinc/94/68/58/492946858.db2.gz OKGPNBCZYKRNPX-RHSMWYFYSA-N 2 1 360.458 0.728 10 0 FCAEMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000658570943 492960547 /nfs/dbraw/zinc/96/05/47/492960547.db2.gz SFRYPNSGTWJDNK-MRXNPFEDSA-N 2 1 367.538 0.071 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658618343 492981842 /nfs/dbraw/zinc/98/18/42/492981842.db2.gz XVQYQYPLPWIWNU-JKSUJKDBSA-N 2 1 350.507 0.920 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000652670583 492983905 /nfs/dbraw/zinc/98/39/05/492983905.db2.gz XLVJPQNMSBXXHC-UHFFFAOYSA-N 2 1 374.485 0.380 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000652678008 492986534 /nfs/dbraw/zinc/98/65/34/492986534.db2.gz OZZQVJCPWRCCIT-SFHVURJKSA-N 2 1 372.513 0.912 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652678220 492986744 /nfs/dbraw/zinc/98/67/44/492986744.db2.gz YANYOQSCBDIYRK-BZUAXINKSA-N 2 1 354.495 0.045 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2sccc2C1 ZINC000652679613 492987644 /nfs/dbraw/zinc/98/76/44/492987644.db2.gz JTVHMYFQAYFZEU-ZDUSSCGKSA-N 2 1 364.515 0.856 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@H+]1CCc2sccc2C1 ZINC000652679613 492987648 /nfs/dbraw/zinc/98/76/48/492987648.db2.gz JTVHMYFQAYFZEU-ZDUSSCGKSA-N 2 1 364.515 0.856 10 0 FCAEMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@@H](C)O1 ZINC000652714683 492998638 /nfs/dbraw/zinc/99/86/38/492998638.db2.gz PWKIZDYMDSDEOJ-BZUAXINKSA-N 2 1 366.506 0.332 10 0 FCAEMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)CC2)C1 ZINC000646002843 492999091 /nfs/dbraw/zinc/99/90/91/492999091.db2.gz HFKGFMLUCCRTGR-MIALQEHNSA-N 2 1 364.534 0.757 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652729468 493007882 /nfs/dbraw/zinc/00/78/82/493007882.db2.gz HDZTWOPBKGGGKR-XUWVNRHRSA-N 2 1 354.495 0.140 10 0 FCAEMP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000632550445 493027676 /nfs/dbraw/zinc/02/76/76/493027676.db2.gz YHUBDJLCKCECMS-KRWDZBQOSA-N 2 1 367.515 0.767 10 0 FCAEMP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000632550445 493027681 /nfs/dbraw/zinc/02/76/81/493027681.db2.gz YHUBDJLCKCECMS-KRWDZBQOSA-N 2 1 367.515 0.767 10 0 FCAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000626851223 493036384 /nfs/dbraw/zinc/03/63/84/493036384.db2.gz VJSURQRIMQJUHS-HNNXBMFYSA-N 2 1 373.457 0.526 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801765 493060193 /nfs/dbraw/zinc/06/01/93/493060193.db2.gz JRXZPQKKOXKMDE-IAGOWNOFSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000626931538 493066804 /nfs/dbraw/zinc/06/68/04/493066804.db2.gz IBZUNYWAGFHGQH-WMLDXEAASA-N 2 1 359.474 0.624 10 0 FCAEMP O=C(NCC[NH+]1CCSCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626976982 493073999 /nfs/dbraw/zinc/07/39/99/493073999.db2.gz UEIOZXTWCCKOHI-MRXNPFEDSA-N 2 1 356.536 0.835 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOCCC[NH3+] ZINC000626981912 493075046 /nfs/dbraw/zinc/07/50/46/493075046.db2.gz YRMYNUUVLGQFDY-MRXNPFEDSA-N 2 1 364.494 0.257 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658827659 493075120 /nfs/dbraw/zinc/07/51/20/493075120.db2.gz WKQDQIZDIFTDRI-QGZVFWFLSA-N 2 1 368.522 0.234 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658827659 493075123 /nfs/dbraw/zinc/07/51/23/493075123.db2.gz WKQDQIZDIFTDRI-QGZVFWFLSA-N 2 1 368.522 0.234 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658827659 493075126 /nfs/dbraw/zinc/07/51/26/493075126.db2.gz WKQDQIZDIFTDRI-QGZVFWFLSA-N 2 1 368.522 0.234 10 0 FCAEMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124879 493075992 /nfs/dbraw/zinc/07/59/92/493075992.db2.gz KDNSHVLRPOPPHA-PXNSSMCTSA-N 2 1 358.486 0.503 10 0 FCAEMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000627115759 493090224 /nfs/dbraw/zinc/09/02/24/493090224.db2.gz XGWGPCIHJTZNAE-SZMVWBNQSA-N 2 1 362.474 0.507 10 0 FCAEMP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[NH2+]C[C@@](C)(F)C3)cn2)CC1 ZINC000633003085 493101713 /nfs/dbraw/zinc/10/17/13/493101713.db2.gz OVMHUGXDUKSKKY-QGZVFWFLSA-N 2 1 366.441 0.248 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C[C@H](C)O1 ZINC000633026106 493105052 /nfs/dbraw/zinc/10/50/52/493105052.db2.gz CFPMOMFCGBNKNS-USJZOSNVSA-N 2 1 372.469 0.807 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000633026302 493105115 /nfs/dbraw/zinc/10/51/15/493105115.db2.gz MVWPWDLUPMMQLH-NVXWUHKLSA-N 2 1 374.485 0.553 10 0 FCAEMP [NH3+]CCCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000627215702 493109101 /nfs/dbraw/zinc/10/91/01/493109101.db2.gz MYVRRBMXERJPRN-QZTJIDSGSA-N 2 1 364.490 0.534 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000658926881 493111978 /nfs/dbraw/zinc/11/19/78/493111978.db2.gz IADHHJJQGLDILQ-JKSUJKDBSA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)[N@H+]1C ZINC000658927668 493112017 /nfs/dbraw/zinc/11/20/17/493112017.db2.gz VEEPAHUQBRDIAX-XHSDSOJGSA-N 2 1 354.495 0.107 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)[N@@H+]1C ZINC000658927668 493112022 /nfs/dbraw/zinc/11/20/22/493112022.db2.gz VEEPAHUQBRDIAX-XHSDSOJGSA-N 2 1 354.495 0.107 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000633097853 493124431 /nfs/dbraw/zinc/12/44/31/493124431.db2.gz UVJAJTXEOYFCFA-NXHRZFHOSA-N 2 1 358.486 0.773 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000627286982 493133071 /nfs/dbraw/zinc/13/30/71/493133071.db2.gz GBCRDEICJSRAFL-XLIONFOSSA-N 2 1 374.485 0.262 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000627290599 493135754 /nfs/dbraw/zinc/13/57/54/493135754.db2.gz UZABUCMWTJOXRN-LSDHHAIUSA-N 2 1 352.479 0.004 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]1 ZINC000627301654 493141263 /nfs/dbraw/zinc/14/12/63/493141263.db2.gz KUGANYWNWGKTJK-CRAIPNDOSA-N 2 1 374.485 0.392 10 0 FCAEMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659078831 493143133 /nfs/dbraw/zinc/14/31/33/493143133.db2.gz JUNIGZJSPQFCFA-ZWKOTPCHSA-N 2 1 372.469 0.887 10 0 FCAEMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000659079861 493143260 /nfs/dbraw/zinc/14/32/60/493143260.db2.gz ONSKYYTWDDWCRF-DOTOQJQBSA-N 2 1 358.442 0.639 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659081923 493144398 /nfs/dbraw/zinc/14/43/98/493144398.db2.gz YQCUAOFSTOLARZ-MRXNPFEDSA-N 2 1 357.414 0.607 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627319032 493150346 /nfs/dbraw/zinc/15/03/46/493150346.db2.gz IHYKRFRNBYTFJT-QPSCCSFWSA-N 2 1 354.495 0.247 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000627332881 493157695 /nfs/dbraw/zinc/15/76/95/493157695.db2.gz MXXWYJLPAZQLAW-CGTJXYLNSA-N 2 1 358.486 0.534 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000627339539 493161191 /nfs/dbraw/zinc/16/11/91/493161191.db2.gz KUCKGCBVJBAKRC-RKVPGOIHSA-N 2 1 358.486 0.806 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000627339539 493161193 /nfs/dbraw/zinc/16/11/93/493161193.db2.gz KUCKGCBVJBAKRC-RKVPGOIHSA-N 2 1 358.486 0.806 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000627339806 493162160 /nfs/dbraw/zinc/16/21/60/493162160.db2.gz RCEUPLAGDUVGNX-IPYPFGDCSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000627339806 493162163 /nfs/dbraw/zinc/16/21/63/493162163.db2.gz RCEUPLAGDUVGNX-IPYPFGDCSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000627345904 493165527 /nfs/dbraw/zinc/16/55/27/493165527.db2.gz ZCXVXMKGIHNLAM-WMLDXEAASA-N 2 1 360.458 0.002 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357497 493174819 /nfs/dbraw/zinc/17/48/19/493174819.db2.gz HTYVGBXJCQCFMB-QAPCUYQASA-N 2 1 358.486 0.808 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000627393772 493199715 /nfs/dbraw/zinc/19/97/15/493199715.db2.gz JZIDUOWIOHDVDL-BMGDILEWSA-N 2 1 358.486 0.880 10 0 FCAEMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627394234 493201438 /nfs/dbraw/zinc/20/14/38/493201438.db2.gz AXXUZJBSNXBVHR-ZMYBRWDISA-N 2 1 350.507 0.681 10 0 FCAEMP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659589592 493217540 /nfs/dbraw/zinc/21/75/40/493217540.db2.gz UPIQJWUVSOPNAH-BSDSXHPESA-N 2 1 362.449 0.732 10 0 FCAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659675294 493245542 /nfs/dbraw/zinc/24/55/42/493245542.db2.gz NIFWCYAYUXBADJ-TZGCNFNXSA-N 2 1 350.507 0.953 10 0 FCAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659676075 493246602 /nfs/dbraw/zinc/24/66/02/493246602.db2.gz VUHJEZATDGTQQA-RRFJBIMHSA-N 2 1 356.486 0.901 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659679286 493247392 /nfs/dbraw/zinc/24/73/92/493247392.db2.gz UCJWEROLWMDJGA-XPQZIERPSA-N 2 1 370.497 0.883 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659682550 493249852 /nfs/dbraw/zinc/24/98/52/493249852.db2.gz DBQKQLWMTALDFS-RBSFLKMASA-N 2 1 356.511 0.480 10 0 FCAEMP C[C@H](CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000659689948 493255195 /nfs/dbraw/zinc/25/51/95/493255195.db2.gz JSXHLTPSFIVMKX-XRTORIHISA-N 2 1 358.486 0.881 10 0 FCAEMP 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O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659710545 493266837 /nfs/dbraw/zinc/26/68/37/493266837.db2.gz RQTLXQHMMHKKAO-HZPDHXFCSA-N 2 1 364.490 0.004 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659740685 493280933 /nfs/dbraw/zinc/28/09/33/493280933.db2.gz FDJSSGYJTMRKFY-IAGOWNOFSA-N 2 1 367.538 0.103 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659740685 493280937 /nfs/dbraw/zinc/28/09/37/493280937.db2.gz FDJSSGYJTMRKFY-IAGOWNOFSA-N 2 1 367.538 0.103 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659742674 493282046 /nfs/dbraw/zinc/28/20/46/493282046.db2.gz CRRBKEXDXNHEMB-GNZRSQJKSA-N 2 1 356.470 0.588 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000673046362 493283976 /nfs/dbraw/zinc/28/39/76/493283976.db2.gz YVKXRDLFNLZUOL-QGZVFWFLSA-N 2 1 353.507 0.937 10 0 FCAEMP 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ZINC000660797670 493380963 /nfs/dbraw/zinc/38/09/63/493380963.db2.gz ZZWGBTMAVDURSQ-ZWKOTPCHSA-N 2 1 354.539 0.876 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668786850 493410117 /nfs/dbraw/zinc/41/01/17/493410117.db2.gz IZBPBOMDXTYWLP-CABCVRRESA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668786850 493410120 /nfs/dbraw/zinc/41/01/20/493410120.db2.gz IZBPBOMDXTYWLP-CABCVRRESA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668786850 493410121 /nfs/dbraw/zinc/41/01/21/493410121.db2.gz IZBPBOMDXTYWLP-CABCVRRESA-N 2 1 354.495 0.202 10 0 FCAEMP CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668852987 493422090 /nfs/dbraw/zinc/42/20/90/493422090.db2.gz MSOBMIRUZWFXHF-HNNXBMFYSA-N 2 1 368.522 0.545 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2[C@H](C)CO)C1 ZINC000661431033 493436860 /nfs/dbraw/zinc/43/68/60/493436860.db2.gz BEGBUJNVVIIVAT-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)C1 ZINC000661431033 493436862 /nfs/dbraw/zinc/43/68/62/493436862.db2.gz BEGBUJNVVIIVAT-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)CO)C1 ZINC000661431033 493436863 /nfs/dbraw/zinc/43/68/63/493436863.db2.gz BEGBUJNVVIIVAT-KZNAEPCWSA-N 2 1 355.523 0.942 10 0 FCAEMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758369 493445121 /nfs/dbraw/zinc/44/51/21/493445121.db2.gz KPSBVSXOWIQKAM-IRXDYDNUSA-N 2 1 358.552 0.370 10 0 FCAEMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758369 493445122 /nfs/dbraw/zinc/44/51/22/493445122.db2.gz KPSBVSXOWIQKAM-IRXDYDNUSA-N 2 1 358.552 0.370 10 0 FCAEMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758370 493445155 /nfs/dbraw/zinc/44/51/55/493445155.db2.gz 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C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001489878280 1209137479 /nfs/dbraw/zinc/13/74/79/1209137479.db2.gz HENOJBAHTUDNDY-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001490007879 1209210238 /nfs/dbraw/zinc/21/02/38/1209210238.db2.gz VYWWEBATXWUBHM-JKSUJKDBSA-N 2 1 350.507 0.920 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001490042605 1209223854 /nfs/dbraw/zinc/22/38/54/1209223854.db2.gz OWSCRRLETDNBPT-MSOLQXFVSA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001490365693 1209339129 /nfs/dbraw/zinc/33/91/29/1209339129.db2.gz LILLYIDDEZFEIV-GVDBMIGSSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001490365693 1209339131 /nfs/dbraw/zinc/33/91/31/1209339131.db2.gz LILLYIDDEZFEIV-GVDBMIGSSA-N 2 1 352.523 0.879 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001490365693 1209339132 /nfs/dbraw/zinc/33/91/32/1209339132.db2.gz LILLYIDDEZFEIV-GVDBMIGSSA-N 2 1 352.523 0.879 10 0 FCAEMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000852754615 1209562424 /nfs/dbraw/zinc/56/24/24/1209562424.db2.gz YBSCLGANRNATFY-QGZVFWFLSA-N 2 1 366.506 0.999 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852862000 1209568316 /nfs/dbraw/zinc/56/83/16/1209568316.db2.gz PNJDLAJQDNKOQO-OAHLLOKOSA-N 2 1 359.430 0.045 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)NC(=O)NC)C2)ccn1 ZINC000856587536 1209717098 /nfs/dbraw/zinc/71/70/98/1209717098.db2.gz PHJYWCUYMNKMIC-MRXNPFEDSA-N 2 1 363.462 0.832 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)NC(=O)NC)C2)ccn1 ZINC000856587536 1209717100 /nfs/dbraw/zinc/71/71/00/1209717100.db2.gz PHJYWCUYMNKMIC-MRXNPFEDSA-N 2 1 363.462 0.832 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)NC(=O)NC)C2)ccn1 ZINC000856587536 1209717103 /nfs/dbraw/zinc/71/71/03/1209717103.db2.gz PHJYWCUYMNKMIC-MRXNPFEDSA-N 2 1 363.462 0.832 10 0 FCAEMP CC(C)[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)[C@H](c2cnn(C)c2)C1 ZINC000863315774 1209937943 /nfs/dbraw/zinc/93/79/43/1209937943.db2.gz FEUZXFXYJKEXPJ-SQNIBIBYSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)[C@H](c2cnn(C)c2)C1 ZINC000863315774 1209937945 /nfs/dbraw/zinc/93/79/45/1209937945.db2.gz FEUZXFXYJKEXPJ-SQNIBIBYSA-N 2 1 363.506 0.417 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000863550266 1209944940 /nfs/dbraw/zinc/94/49/40/1209944940.db2.gz RZSHHBBVYKBHQX-JKSUJKDBSA-N 2 1 369.425 0.452 10 0 FCAEMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863834165 1209953854 /nfs/dbraw/zinc/95/38/54/1209953854.db2.gz FEUZXFXYJKEXPJ-RCCFBDPRSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863834165 1209953857 /nfs/dbraw/zinc/95/38/57/1209953857.db2.gz FEUZXFXYJKEXPJ-RCCFBDPRSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)[C@@H](c2cnn(C)c2)C1 ZINC000863834165 1209953860 /nfs/dbraw/zinc/95/38/60/1209953860.db2.gz FEUZXFXYJKEXPJ-RCCFBDPRSA-N 2 1 363.506 0.417 10 0 FCAEMP Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000866658941 1210001044 /nfs/dbraw/zinc/00/10/44/1210001044.db2.gz ALNWMSNZFOCLDS-JKSUJKDBSA-N 2 1 359.474 0.909 10 0 FCAEMP Cc1cccnc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000866658941 1210001049 /nfs/dbraw/zinc/00/10/49/1210001049.db2.gz ALNWMSNZFOCLDS-JKSUJKDBSA-N 2 1 359.474 0.909 10 0 FCAEMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708095 1210001950 /nfs/dbraw/zinc/00/19/50/1210001950.db2.gz LGMDFJKEOLAQQO-SIUPPRGNSA-N 2 1 370.453 0.831 10 0 FCAEMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708095 1210001952 /nfs/dbraw/zinc/00/19/52/1210001952.db2.gz LGMDFJKEOLAQQO-SIUPPRGNSA-N 2 1 370.453 0.831 10 0 FCAEMP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867606225 1210017428 /nfs/dbraw/zinc/01/74/28/1210017428.db2.gz RDWYBTMIMLPQHL-HZPDHXFCSA-N 2 1 366.506 0.108 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867606225 1210017436 /nfs/dbraw/zinc/01/74/36/1210017436.db2.gz RDWYBTMIMLPQHL-HZPDHXFCSA-N 2 1 366.506 0.108 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000867606225 1210017439 /nfs/dbraw/zinc/01/74/39/1210017439.db2.gz RDWYBTMIMLPQHL-HZPDHXFCSA-N 2 1 366.506 0.108 10 0 FCAEMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000868260291 1210047675 /nfs/dbraw/zinc/04/76/75/1210047675.db2.gz CXTGVASZBHLDDL-AWEZNQCLSA-N 2 1 360.458 0.232 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000868260581 1210047983 /nfs/dbraw/zinc/04/79/83/1210047983.db2.gz GWWMCNXBACCGEH-HNNXBMFYSA-N 2 1 362.474 0.696 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)CC[C@H]21 ZINC000868309804 1210050886 /nfs/dbraw/zinc/05/08/86/1210050886.db2.gz MLUFOVAGYRRXKA-XJKSGUPXSA-N 2 1 358.442 0.660 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])CC[C@H]21 ZINC000868393639 1210061644 /nfs/dbraw/zinc/06/16/44/1210061644.db2.gz QLJHERBWMLMEKP-NXHRZFHOSA-N 2 1 356.470 0.624 10 0 FCAEMP COC(=O)CCN1CCC[C@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1=O ZINC000871785103 1210171500 /nfs/dbraw/zinc/17/15/00/1210171500.db2.gz RGVJGAUZAOXPCQ-DKUMPPAJSA-N 2 1 366.462 0.912 10 0 FCAEMP COC(=O)CCN1CCC[C@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000871785103 1210171504 /nfs/dbraw/zinc/17/15/04/1210171504.db2.gz RGVJGAUZAOXPCQ-DKUMPPAJSA-N 2 1 366.462 0.912 10 0 FCAEMP Cc1cc(C)n2c(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cnc2n1 ZINC000872256313 1210183356 /nfs/dbraw/zinc/18/33/56/1210183356.db2.gz RTGAQNWWCJEFHT-IMJJTQAJSA-N 2 1 356.430 0.713 10 0 FCAEMP Cc1cc(C)n2c(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cnc2n1 ZINC000872256313 1210183362 /nfs/dbraw/zinc/18/33/62/1210183362.db2.gz RTGAQNWWCJEFHT-IMJJTQAJSA-N 2 1 356.430 0.713 10 0 FCAEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000924731735 1211478705 /nfs/dbraw/zinc/47/87/05/1211478705.db2.gz UYXMHUVVICOIHH-FKEKPDDDSA-N 2 1 366.506 0.996 10 0 FCAEMP O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCNCC[NH2+]CC1 ZINC000926187234 1211520442 /nfs/dbraw/zinc/52/04/42/1211520442.db2.gz AHVVTDJURVUOPN-LJQANCHMSA-N 2 1 372.517 0.998 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926308019 1211528965 /nfs/dbraw/zinc/52/89/65/1211528965.db2.gz LBXZVQTUGSBOFP-JKSUJKDBSA-N 2 1 366.506 0.143 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926347860 1211536077 /nfs/dbraw/zinc/53/60/77/1211536077.db2.gz KESFXKCMTKEOLW-PXNSSMCTSA-N 2 1 374.485 0.032 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@@H]1C ZINC000926345669 1211536517 /nfs/dbraw/zinc/53/65/17/1211536517.db2.gz FSAHNZIMHCAEHG-HRCADAONSA-N 2 1 366.506 0.284 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@@H]1C ZINC000926345669 1211536524 /nfs/dbraw/zinc/53/65/24/1211536524.db2.gz FSAHNZIMHCAEHG-HRCADAONSA-N 2 1 366.506 0.284 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC[C@H]1C[NH3+] ZINC000926348604 1211537447 /nfs/dbraw/zinc/53/74/47/1211537447.db2.gz SSXFISJLBBFVBE-XHSDSOJGSA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC000926416465 1211547102 /nfs/dbraw/zinc/54/71/02/1211547102.db2.gz PYDUHIFONHXNLE-NZSAHSFTSA-N 2 1 372.513 0.815 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC000926416465 1211547109 /nfs/dbraw/zinc/54/71/09/1211547109.db2.gz PYDUHIFONHXNLE-NZSAHSFTSA-N 2 1 372.513 0.815 10 0 FCAEMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926441610 1211548781 /nfs/dbraw/zinc/54/87/81/1211548781.db2.gz CVEMDGPSSNJTES-LJQANCHMSA-N 2 1 367.538 0.073 10 0 FCAEMP CN(CCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)CC[NH+](C)C ZINC000926441610 1211548782 /nfs/dbraw/zinc/54/87/82/1211548782.db2.gz CVEMDGPSSNJTES-LJQANCHMSA-N 2 1 367.538 0.073 10 0 FCAEMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000927817644 1211583505 /nfs/dbraw/zinc/58/35/05/1211583505.db2.gz NHJMHWBIDKNGKY-CVEARBPZSA-N 2 1 373.501 0.739 10 0 FCAEMP Cc1ccncc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927836056 1211584110 /nfs/dbraw/zinc/58/41/10/1211584110.db2.gz RZTLTHMTBICHOO-IYBDPMFKSA-N 2 1 357.458 0.756 10 0 FCAEMP Cc1ccncc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927836056 1211584113 /nfs/dbraw/zinc/58/41/13/1211584113.db2.gz RZTLTHMTBICHOO-IYBDPMFKSA-N 2 1 357.458 0.756 10 0 FCAEMP CC(C)n1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000927832146 1211584144 /nfs/dbraw/zinc/58/41/44/1211584144.db2.gz GXUAMYZSOITUPV-IYBDPMFKSA-N 2 1 374.489 0.830 10 0 FCAEMP CC(C)n1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000927832146 1211584150 /nfs/dbraw/zinc/58/41/50/1211584150.db2.gz GXUAMYZSOITUPV-IYBDPMFKSA-N 2 1 374.489 0.830 10 0 FCAEMP CCCn1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000927836811 1211584537 /nfs/dbraw/zinc/58/45/37/1211584537.db2.gz ZPKVGCKELGFSJX-CALCHBBNSA-N 2 1 374.489 0.659 10 0 FCAEMP CCCn1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cn1 ZINC000927836811 1211584540 /nfs/dbraw/zinc/58/45/40/1211584540.db2.gz ZPKVGCKELGFSJX-CALCHBBNSA-N 2 1 374.489 0.659 10 0 FCAEMP 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0.282 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)O1 ZINC000903730007 1218508965 /nfs/dbraw/zinc/50/89/65/1218508965.db2.gz FMRIQKGJIAUELU-XUWVNRHRSA-N 2 1 366.506 0.282 10 0 FCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)O1 ZINC000903730007 1218508973 /nfs/dbraw/zinc/50/89/73/1218508973.db2.gz FMRIQKGJIAUELU-XUWVNRHRSA-N 2 1 366.506 0.282 10 0 FCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001491315620 1220109525 /nfs/dbraw/zinc/10/95/25/1220109525.db2.gz CIAAKFACOOHSBE-VVHNNWHFSA-N 2 1 350.507 0.678 10 0 FCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001491315620 1220109532 /nfs/dbraw/zinc/10/95/32/1220109532.db2.gz CIAAKFACOOHSBE-VVHNNWHFSA-N 2 1 350.507 0.678 10 0 FCAEMP CC[C@H](C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001491315620 1220109537 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XNGGYEHBLDQWQP-IAGOWNOFSA-N 2 1 362.449 0.945 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)[C@H]1c1ccc(F)cc1 ZINC001117972723 1221671129 /nfs/dbraw/zinc/67/11/29/1221671129.db2.gz XNGGYEHBLDQWQP-IAGOWNOFSA-N 2 1 362.449 0.945 10 0 FCAEMP Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)nnn1C1CC[NH2+]CC1 ZINC001118264688 1221746258 /nfs/dbraw/zinc/74/62/58/1221746258.db2.gz LCTWJJJLNVWWGU-INIZCTEOSA-N 2 1 355.446 0.693 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001119776143 1221969029 /nfs/dbraw/zinc/96/90/29/1221969029.db2.gz HQCXXWSPIRVHPD-YLFCFFPRSA-N 2 1 366.506 0.033 10 0 FCAEMP Cc1cc(=O)oc2cc(OCC[N@@H+](C)CC(=O)N3CC[NH2+]CC3)ccc12 ZINC000843345994 1222871016 /nfs/dbraw/zinc/87/10/16/1222871016.db2.gz JMZYBEKXSDTXCI-UHFFFAOYSA-N 2 1 359.426 0.844 10 0 FCAEMP Cc1cc(=O)oc2cc(OCC[N@H+](C)CC(=O)N3CC[NH2+]CC3)ccc12 ZINC000843345994 1222871017 /nfs/dbraw/zinc/87/10/17/1222871017.db2.gz JMZYBEKXSDTXCI-UHFFFAOYSA-N 2 1 359.426 0.844 10 0 FCAEMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc21 ZINC000823700702 1245321207 /nfs/dbraw/zinc/32/12/07/1245321207.db2.gz XMHSWGGLHZCQGV-SCLBCKFNSA-N 2 1 362.430 0.550 10 0 FCAEMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc21 ZINC000823700702 1245321210 /nfs/dbraw/zinc/32/12/10/1245321210.db2.gz XMHSWGGLHZCQGV-SCLBCKFNSA-N 2 1 362.430 0.550 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000849488928 1245396070 /nfs/dbraw/zinc/39/60/70/1245396070.db2.gz PSOABCYDYZGAFN-ZWKOTPCHSA-N 2 1 362.522 0.161 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849563560 1245401224 /nfs/dbraw/zinc/40/12/24/1245401224.db2.gz KYRSNMWAFYVZDV-KZNAEPCWSA-N 2 1 363.506 0.371 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849563560 1245401230 /nfs/dbraw/zinc/40/12/30/1245401230.db2.gz KYRSNMWAFYVZDV-KZNAEPCWSA-N 2 1 363.506 0.371 10 0 FCAEMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849587877 1245405672 /nfs/dbraw/zinc/40/56/72/1245405672.db2.gz VVFAOAYCQVLBIQ-SQNIBIBYSA-N 2 1 365.522 0.664 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[NH+]2CCO)cn1 ZINC000849602156 1245406961 /nfs/dbraw/zinc/40/69/61/1245406961.db2.gz YUTDWDOLTVJZTH-SQNIBIBYSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000849602156 1245406965 /nfs/dbraw/zinc/40/69/65/1245406965.db2.gz YUTDWDOLTVJZTH-SQNIBIBYSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000849602156 1245406968 /nfs/dbraw/zinc/40/69/68/1245406968.db2.gz YUTDWDOLTVJZTH-SQNIBIBYSA-N 2 1 363.506 0.418 10 0 FCAEMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000897321029 1245470524 /nfs/dbraw/zinc/47/05/24/1245470524.db2.gz HQZKZSBZCZWLPT-SFHVURJKSA-N 2 1 358.486 0.978 10 0 FCAEMP 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CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001572954244 1270398574 /nfs/dbraw/zinc/39/85/74/1270398574.db2.gz FZFHINHHIHUENW-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001573214415 1270680296 /nfs/dbraw/zinc/68/02/96/1270680296.db2.gz MYNQNUMFYINRCX-GVDBMIGSSA-N 2 1 366.506 0.014 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001573726987 1270861472 /nfs/dbraw/zinc/86/14/72/1270861472.db2.gz GPMQIIBPGYSZNZ-TXPKVOOTSA-N 2 1 350.507 0.587 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@@]3(C)C2)C1 ZINC001573766591 1270874962 /nfs/dbraw/zinc/87/49/62/1270874962.db2.gz QRLUFDCAIBUSAP-FCEWJHQRSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001573841792 1270902057 /nfs/dbraw/zinc/90/20/57/1270902057.db2.gz AJSYEVHRGRHUDS-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC[NH+]1C ZINC001713727723 1287292116 /nfs/dbraw/zinc/29/21/16/1287292116.db2.gz FRQDLLQXTQGRJK-YESZJQIVSA-N 2 1 365.522 0.570 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001713784698 1287298121 /nfs/dbraw/zinc/29/81/21/1287298121.db2.gz RPCYJKZQTAIVJR-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001713784698 1287298122 /nfs/dbraw/zinc/29/81/22/1287298122.db2.gz RPCYJKZQTAIVJR-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001713784698 1287298123 /nfs/dbraw/zinc/29/81/23/1287298123.db2.gz RPCYJKZQTAIVJR-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCNC(=O)C3CC3)C2)CC[NH+]1C ZINC001713784698 1287298124 /nfs/dbraw/zinc/29/81/24/1287298124.db2.gz RPCYJKZQTAIVJR-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCCO[C@H]3CCOC3)C2)CC[N@H+]1C ZINC001713900645 1287306271 /nfs/dbraw/zinc/30/62/71/1287306271.db2.gz DDKNANPALSJKSD-OKZBNKHCSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(=O)NCCOCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714439382 1287322198 /nfs/dbraw/zinc/32/21/98/1287322198.db2.gz QPQQEGLVHABJGD-BPQIPLTHSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714439382 1287322205 /nfs/dbraw/zinc/32/22/05/1287322205.db2.gz QPQQEGLVHABJGD-BPQIPLTHSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(=O)NCCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714439382 1287322213 /nfs/dbraw/zinc/32/22/13/1287322213.db2.gz QPQQEGLVHABJGD-BPQIPLTHSA-N 2 1 368.522 0.402 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001714469512 1287323334 /nfs/dbraw/zinc/32/33/34/1287323334.db2.gz NQXJXLWYBVWBTQ-BPLDGKMQSA-N 2 1 364.494 0.492 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001714707825 1287332467 /nfs/dbraw/zinc/33/24/67/1287332467.db2.gz RWMZHBDEEMAGFA-VHDGCEQUSA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001715168053 1287346143 /nfs/dbraw/zinc/34/61/43/1287346143.db2.gz DCGIQZYNHSRXBA-LSDHHAIUSA-N 2 1 367.494 0.130 10 0 FCAEMP C[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)o1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715328341 1287349656 /nfs/dbraw/zinc/34/96/56/1287349656.db2.gz JFEZYGCVQXFWAL-GZBFAFLISA-N 2 1 371.503 0.960 10 0 FCAEMP CC(C)C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715383830 1287350961 /nfs/dbraw/zinc/35/09/61/1287350961.db2.gz IXBMITJKJMXRJD-OWCLPIDISA-N 2 1 353.511 0.472 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001715432994 1287351835 /nfs/dbraw/zinc/35/18/35/1287351835.db2.gz HRIZWJSCKCJCAK-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2c(C)nn(C)c2Cl)CC[N@H+]1C ZINC001715588661 1287355997 /nfs/dbraw/zinc/35/59/97/1287355997.db2.gz WYHLQLDMUNGDQT-KCQAQPDRSA-N 2 1 371.913 0.679 10 0 FCAEMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001715947534 1287365615 /nfs/dbraw/zinc/36/56/15/1287365615.db2.gz FASYUICXCWATNL-BMFZPTHFSA-N 2 1 357.462 0.150 10 0 FCAEMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001715947534 1287365617 /nfs/dbraw/zinc/36/56/17/1287365617.db2.gz FASYUICXCWATNL-BMFZPTHFSA-N 2 1 357.462 0.150 10 0 FCAEMP CCN(CC[NH2+]CC(=O)Nc1cc(C)on1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716217945 1287374149 /nfs/dbraw/zinc/37/41/49/1287374149.db2.gz NLZDEOLVLXILNQ-ZIAGYGMSSA-N 2 1 351.451 0.700 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001716541929 1287383080 /nfs/dbraw/zinc/38/30/80/1287383080.db2.gz NMFQJFANPLVKEM-ZIAGYGMSSA-N 2 1 351.499 0.706 10 0 FCAEMP 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CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC(C)C)CC[C@@H]3C2)C1 ZINC001656847954 1291568180 /nfs/dbraw/zinc/56/81/80/1291568180.db2.gz SWZMFCBFQPAKAT-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCOC(C)C)CC[C@@H]3C2)C1 ZINC001656847954 1291568186 /nfs/dbraw/zinc/56/81/86/1291568186.db2.gz SWZMFCBFQPAKAT-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCOC(C)C)CC[C@@H]3C2)C1 ZINC001656847954 1291568192 /nfs/dbraw/zinc/56/81/92/1291568192.db2.gz SWZMFCBFQPAKAT-SQNIBIBYSA-N 2 1 353.507 0.912 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001661601418 1291701479 /nfs/dbraw/zinc/70/14/79/1291701479.db2.gz LPXLLGZTTXRBJL-VVLHAWIVSA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001664806551 1291814464 /nfs/dbraw/zinc/81/44/64/1291814464.db2.gz HDKGVLNQHLFMNM-HLLBOEOZSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001664806551 1291814473 /nfs/dbraw/zinc/81/44/73/1291814473.db2.gz HDKGVLNQHLFMNM-HLLBOEOZSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)N(C)C3CC3)C2)CC[NH+]1C ZINC001664806551 1291814483 /nfs/dbraw/zinc/81/44/83/1291814483.db2.gz HDKGVLNQHLFMNM-HLLBOEOZSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C(C)C)nn2)CC[N@@H+]1C ZINC001667827045 1291944762 /nfs/dbraw/zinc/94/47/62/1291944762.db2.gz QBIRIZQXUWIIFM-HRCADAONSA-N 2 1 352.483 0.156 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C(C)C)nn2)CC[N@H+]1C ZINC001667827045 1291944767 /nfs/dbraw/zinc/94/47/67/1291944767.db2.gz QBIRIZQXUWIIFM-HRCADAONSA-N 2 1 352.483 0.156 10 0 FCAEMP CCN(CC[NH2+]CC(=O)Nc1cc(C)nn1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435750 1291965504 /nfs/dbraw/zinc/96/55/04/1291965504.db2.gz RTRPGBBFXHSUMH-HUUCEWRRSA-N 2 1 364.494 0.445 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CC[NH2+][C@@H]2CCNC2=O)Cc2ccccc2)CC[N@H+]1C ZINC001672388359 1292079244 /nfs/dbraw/zinc/07/92/44/1292079244.db2.gz GIVCSBISQIQISG-KBAYOESNSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCO[C@@H]4CCOC4)C[C@@H]3C2)CC[N@H+]1C ZINC001672417176 1292080434 /nfs/dbraw/zinc/08/04/34/1292080434.db2.gz ZAUAQFAJNFPGNK-UJWQCDCRSA-N 2 1 365.518 0.912 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCO[C@@H]4CCOC4)C[C@@H]3C2)CC[NH+]1C ZINC001672417176 1292080442 /nfs/dbraw/zinc/08/04/42/1292080442.db2.gz ZAUAQFAJNFPGNK-UJWQCDCRSA-N 2 1 365.518 0.912 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCO[C@@H]4CCOC4)C[C@@H]3C2)CC[NH+]1C ZINC001672417176 1292080449 /nfs/dbraw/zinc/08/04/49/1292080449.db2.gz ZAUAQFAJNFPGNK-UJWQCDCRSA-N 2 1 365.518 0.912 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3nccs3)C2)CC[N@@H+]1C ZINC001673670901 1292119269 /nfs/dbraw/zinc/11/92/69/1292119269.db2.gz HPHITPZCPVDWGM-CKEIUWERSA-N 2 1 352.504 0.926 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]Cc3nccs3)C2)CC[N@H+]1C ZINC001673670901 1292119271 /nfs/dbraw/zinc/11/92/71/1292119271.db2.gz HPHITPZCPVDWGM-CKEIUWERSA-N 2 1 352.504 0.926 10 0 FCAEMP CCOCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001674375905 1292139323 /nfs/dbraw/zinc/13/93/23/1292139323.db2.gz UXAJDODACABDSV-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP COC[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675687558 1292182151 /nfs/dbraw/zinc/18/21/51/1292182151.db2.gz BLLVWNYMCYONNJ-RTYCURFASA-N 2 1 353.507 0.504 10 0 FCAEMP COC[C@H](O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675687558 1292182155 /nfs/dbraw/zinc/18/21/55/1292182155.db2.gz BLLVWNYMCYONNJ-RTYCURFASA-N 2 1 353.507 0.504 10 0 FCAEMP COC[C@H](O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675687558 1292182159 /nfs/dbraw/zinc/18/21/59/1292182159.db2.gz BLLVWNYMCYONNJ-RTYCURFASA-N 2 1 353.507 0.504 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+]1C ZINC001676535186 1292206474 /nfs/dbraw/zinc/20/64/74/1292206474.db2.gz IAAHPNKAGBXSLH-BPQIPLTHSA-N 2 1 363.506 0.516 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+]1C ZINC001676535186 1292206483 /nfs/dbraw/zinc/20/64/83/1292206483.db2.gz IAAHPNKAGBXSLH-BPQIPLTHSA-N 2 1 363.506 0.516 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(O)ccc2Cl)CC[N@@H+]1C ZINC001676536141 1292206541 /nfs/dbraw/zinc/20/65/41/1292206541.db2.gz XEPDLJVDQVJTTD-OSAQELSMSA-N 2 1 355.866 0.953 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(O)ccc2Cl)CC[N@H+]1C ZINC001676536141 1292206549 /nfs/dbraw/zinc/20/65/49/1292206549.db2.gz XEPDLJVDQVJTTD-OSAQELSMSA-N 2 1 355.866 0.953 10 0 FCAEMP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001684804461 1292339017 /nfs/dbraw/zinc/33/90/17/1292339017.db2.gz AGDMBGYJOITJQX-ROUUACIJSA-N 3 1 370.586 0.536 10 0 FCAEMP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CN(C)CCN1C ZINC001684804461 1292339025 /nfs/dbraw/zinc/33/90/25/1292339025.db2.gz AGDMBGYJOITJQX-ROUUACIJSA-N 2 1 370.586 0.536 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)CC[N@H+]1C ZINC001686989296 1292972104 /nfs/dbraw/zinc/97/21/04/1292972104.db2.gz BJPFMUGGXSBWFY-IXDOHACOSA-N 2 1 350.507 0.777 10 0 FCAEMP CC(C)NC(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001276983995 861723082 /nfs/dbraw/zinc/72/30/82/861723082.db2.gz YUVXWAXODCLRPH-KLHDSHLOSA-N 2 1 353.511 0.519 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001117091445 846884422 /nfs/dbraw/zinc/88/44/22/846884422.db2.gz FUXPLGCBLRJOJX-QGZVFWFLSA-N 2 1 350.507 0.921 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC001277060933 861747938 /nfs/dbraw/zinc/74/79/38/861747938.db2.gz VLAIDFLCTLJNCL-QLFBSQMISA-N 2 1 357.520 0.390 10 0 FCAEMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001118034779 847257346 /nfs/dbraw/zinc/25/73/46/847257346.db2.gz HYOVVQRYYRZXEA-KCXAZCMYSA-N 2 1 350.438 0.801 10 0 FCAEMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001118034779 847257360 /nfs/dbraw/zinc/25/73/60/847257360.db2.gz HYOVVQRYYRZXEA-KCXAZCMYSA-N 2 1 350.438 0.801 10 0 FCAEMP CC(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)C(=O)NCC[NH+](C)C ZINC001123663725 848621916 /nfs/dbraw/zinc/62/19/16/848621916.db2.gz HKDZPMCIMRWNKW-CVEARBPZSA-N 2 1 355.527 0.862 10 0 FCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001278868871 862545214 /nfs/dbraw/zinc/54/52/14/862545214.db2.gz JUVZBSBGPWTAGJ-ZACQAIPSSA-N 2 1 357.495 0.026 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCOC)[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001279045132 862611320 /nfs/dbraw/zinc/61/13/20/862611320.db2.gz PTQQPFWLQKIXRS-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCOC)[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001279045132 862611328 /nfs/dbraw/zinc/61/13/28/862611328.db2.gz PTQQPFWLQKIXRS-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CCOC)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001279045132 862611334 /nfs/dbraw/zinc/61/13/34/862611334.db2.gz PTQQPFWLQKIXRS-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CCOC)[C@H]2CCN(C)C2=O)CC[NH+]1C ZINC001279045132 862611342 /nfs/dbraw/zinc/61/13/42/862611342.db2.gz PTQQPFWLQKIXRS-XHSDSOJGSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001252931928 857850657 /nfs/dbraw/zinc/85/06/57/857850657.db2.gz PEHLYQGPTNLZIX-SOUVJXGZSA-N 2 1 355.483 0.398 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001252931928 857850662 /nfs/dbraw/zinc/85/06/62/857850662.db2.gz PEHLYQGPTNLZIX-SOUVJXGZSA-N 2 1 355.483 0.398 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001261377737 858533350 /nfs/dbraw/zinc/53/33/50/858533350.db2.gz DCOVHMNCJXVYLI-JKSUJKDBSA-N 2 1 350.438 0.755 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001261377737 858533353 /nfs/dbraw/zinc/53/33/53/858533353.db2.gz DCOVHMNCJXVYLI-JKSUJKDBSA-N 2 1 350.438 0.755 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1)[NH+]1CC[C@](O)(C2CC2)C1 ZINC001262277803 858846128 /nfs/dbraw/zinc/84/61/28/858846128.db2.gz OUUFOMOOBMXTNH-NIKGAXFTSA-N 2 1 351.491 0.185 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@](O)(C2CC2)C1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001262277803 858846137 /nfs/dbraw/zinc/84/61/37/858846137.db2.gz OUUFOMOOBMXTNH-NIKGAXFTSA-N 2 1 351.491 0.185 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@](O)(C2CC2)C1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001262277803 858846142 /nfs/dbraw/zinc/84/61/42/858846142.db2.gz OUUFOMOOBMXTNH-NIKGAXFTSA-N 2 1 351.491 0.185 10 0 FCAEMP 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C[C@@H](CNC(=O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000930996027 674085118 /nfs/dbraw/zinc/08/51/18/674085118.db2.gz QADSWHKCARJKHU-IFVNRKHKSA-N 2 1 355.523 0.389 10 0 FCAEMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(C[NH+](C)C)nc1)C2 ZINC000367816945 216165628 /nfs/dbraw/zinc/16/56/28/216165628.db2.gz WAVAAIAZRCVPNX-AYHJJNSGSA-N 2 1 373.501 0.957 10 0 FCAEMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000246342341 209384600 /nfs/dbraw/zinc/38/46/00/209384600.db2.gz OWSJAMGZATXMRQ-HOTGVXAUSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000246342341 209384604 /nfs/dbraw/zinc/38/46/04/209384604.db2.gz OWSJAMGZATXMRQ-HOTGVXAUSA-N 2 1 351.495 0.419 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246740581 209399833 /nfs/dbraw/zinc/39/98/33/209399833.db2.gz KPGYFWZWJDYSSM-SJLPKXTDSA-N 2 1 368.522 0.897 10 0 FCAEMP 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216394394 /nfs/dbraw/zinc/39/43/94/216394394.db2.gz IDXPRMRZFNVWCP-MSOLQXFVSA-N 2 1 367.538 0.519 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(C)([NH+](C)C)CC2)C1 ZINC000931349480 674109870 /nfs/dbraw/zinc/10/98/70/674109870.db2.gz ZYCTWQYGWVSZQW-QGZVFWFLSA-N 2 1 354.539 0.876 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CC2([NH+](C)C)CCC2)C1 ZINC000186947910 209202088 /nfs/dbraw/zinc/20/20/88/209202088.db2.gz FKOBHQIEMRLWQR-KRWDZBQOSA-N 2 1 354.539 0.876 10 0 FCAEMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276282633 212204045 /nfs/dbraw/zinc/20/40/45/212204045.db2.gz FSCWFSXZIPSNOV-MGPUTAFESA-N 2 1 374.485 0.078 10 0 FCAEMP C[C@H](CNC(=O)CN1C[C@@H](O)CC(C)(C)C1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000931551960 674119521 /nfs/dbraw/zinc/11/95/21/674119521.db2.gz PXPFZCLODCABSA-OWCLPIDISA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000931551960 674119523 /nfs/dbraw/zinc/11/95/23/674119523.db2.gz PXPFZCLODCABSA-OWCLPIDISA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000931551960 674119524 /nfs/dbraw/zinc/11/95/24/674119524.db2.gz PXPFZCLODCABSA-OWCLPIDISA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@@H](O)CC(C)(C)C1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000931551960 674119528 /nfs/dbraw/zinc/11/95/28/674119528.db2.gz PXPFZCLODCABSA-OWCLPIDISA-N 2 1 355.523 0.677 10 0 FCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000181790926 209122466 /nfs/dbraw/zinc/12/24/66/209122466.db2.gz PNHVYNCFWXADAE-WMZOPIPTSA-N 2 1 368.522 0.585 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)C[N@H+]1C1CC1 ZINC000419313889 246094919 /nfs/dbraw/zinc/09/49/19/246094919.db2.gz GYGMLTICFNREKX-ZBFHGGJFSA-N 2 1 359.474 0.419 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNC[C@H]2c2cccnc2)C[N@H+]1C1CC1 ZINC000419319354 246096824 /nfs/dbraw/zinc/09/68/24/246096824.db2.gz OMZRMIYPFRZPDF-KMFMINBZSA-N 2 1 357.458 0.296 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Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000419512534 246185809 /nfs/dbraw/zinc/18/58/09/246185809.db2.gz JZMKFOWGGHIWOY-BPUTZDHNSA-N 2 1 362.474 0.955 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000419539601 246197495 /nfs/dbraw/zinc/19/74/95/246197495.db2.gz GLENOQRRXGCZLN-GOEBONIOSA-N 2 1 361.490 0.647 10 0 FCAEMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419556674 246201020 /nfs/dbraw/zinc/20/10/20/246201020.db2.gz JIJFOKRXJROFQC-ZFWWWQNUSA-N 2 1 352.504 0.973 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000419651273 246230349 /nfs/dbraw/zinc/23/03/49/246230349.db2.gz OULMLKDYWZALDD-XMYZRKPFSA-N 2 1 374.529 0.857 10 0 FCAEMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423400058 247019602 /nfs/dbraw/zinc/01/96/02/247019602.db2.gz WPULUJGVJBDJGD-HRCADAONSA-N 2 1 364.490 0.051 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423639354 247088374 /nfs/dbraw/zinc/08/83/74/247088374.db2.gz JJJUBNNJLRBIIX-ZWKOTPCHSA-N 2 1 371.485 0.641 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000471207023 250093867 /nfs/dbraw/zinc/09/38/67/250093867.db2.gz HYTABDVMCNIZNB-ZWKOTPCHSA-N 2 1 354.539 0.731 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000471207023 250093869 /nfs/dbraw/zinc/09/38/69/250093869.db2.gz HYTABDVMCNIZNB-ZWKOTPCHSA-N 2 1 354.539 0.731 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000471207023 250093874 /nfs/dbraw/zinc/09/38/74/250093874.db2.gz HYTABDVMCNIZNB-ZWKOTPCHSA-N 2 1 354.539 0.731 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000471381630 250098734 /nfs/dbraw/zinc/09/87/34/250098734.db2.gz XENMUZNSXILNNF-IAGOWNOFSA-N 2 1 368.522 0.546 10 0 FCAEMP CC[NH+](CC)CCSCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473427747 250229058 /nfs/dbraw/zinc/22/90/58/250229058.db2.gz OKQDKMLLNNCNCE-UHFFFAOYSA-N 2 1 358.552 0.684 10 0 FCAEMP C[C@@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCCCC1 ZINC000473945851 250258953 /nfs/dbraw/zinc/25/89/53/250258953.db2.gz FPNJRRHGJHGWKD-KRWDZBQOSA-N 2 1 367.538 0.914 10 0 FCAEMP Cc1cccc(N2CCC(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)[nH+]1 ZINC000073768930 208049330 /nfs/dbraw/zinc/04/93/30/208049330.db2.gz CEOCIXPGVOCXOU-INIZCTEOSA-N 2 1 373.501 0.885 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000108556880 208248316 /nfs/dbraw/zinc/24/83/16/208248316.db2.gz HCHOKYOPFMXBSG-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP COCC[NH+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108556880 208248323 /nfs/dbraw/zinc/24/83/23/208248323.db2.gz HCHOKYOPFMXBSG-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP COCC[NH+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000108556880 208248331 /nfs/dbraw/zinc/24/83/31/208248331.db2.gz HCHOKYOPFMXBSG-SFHVURJKSA-N 2 1 369.554 0.766 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000119085548 208357021 /nfs/dbraw/zinc/35/70/21/208357021.db2.gz WFZVCGDJDDEARQ-CVEARBPZSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000119085548 208357025 /nfs/dbraw/zinc/35/70/25/208357025.db2.gz WFZVCGDJDDEARQ-CVEARBPZSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000119085548 208357031 /nfs/dbraw/zinc/35/70/31/208357031.db2.gz WFZVCGDJDDEARQ-CVEARBPZSA-N 2 1 351.495 0.419 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c(=O)n2C ZINC000118841838 208352537 /nfs/dbraw/zinc/35/25/37/208352537.db2.gz KUJSNRHSQRLZQO-AWEZNQCLSA-N 2 1 362.478 0.097 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c(=O)n2C ZINC000118841838 208352538 /nfs/dbraw/zinc/35/25/38/208352538.db2.gz KUJSNRHSQRLZQO-AWEZNQCLSA-N 2 1 362.478 0.097 10 0 FCAEMP Cn1cnc2c1c(=O)n(CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c(=O)n2C ZINC000118841838 208352539 /nfs/dbraw/zinc/35/25/39/208352539.db2.gz KUJSNRHSQRLZQO-AWEZNQCLSA-N 2 1 362.478 0.097 10 0 FCAEMP CC(C)N1CC[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000177678043 209032674 /nfs/dbraw/zinc/03/26/74/209032674.db2.gz PLMHVSXDQYGVEC-QGZVFWFLSA-N 2 1 350.507 0.872 10 0 FCAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000178331197 209048587 /nfs/dbraw/zinc/04/85/87/209048587.db2.gz PAHIJBJAKIIDJR-HNNXBMFYSA-N 2 1 371.507 0.054 10 0 FCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000178331197 209048593 /nfs/dbraw/zinc/04/85/93/209048593.db2.gz PAHIJBJAKIIDJR-HNNXBMFYSA-N 2 1 371.507 0.054 10 0 FCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000627907033 484101658 /nfs/dbraw/zinc/10/16/58/484101658.db2.gz MSSDLQDZKFQPPS-HNNXBMFYSA-N 2 1 362.478 0.516 10 0 FCAEMP O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)N1CC[NH2+]CC1 ZINC000311690620 488895201 /nfs/dbraw/zinc/89/52/01/488895201.db2.gz SFTQFNLVXGKEHZ-FGTMMUONSA-N 2 1 356.470 0.445 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000328675721 488929537 /nfs/dbraw/zinc/92/95/37/488929537.db2.gz QZMREXQETACSTF-CRAIPNDOSA-N 2 1 353.507 0.791 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994179 488233993 /nfs/dbraw/zinc/23/39/93/488233993.db2.gz MSXBGRQJKXJOTK-INIZCTEOSA-N 2 1 366.506 0.158 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000074167382 488388674 /nfs/dbraw/zinc/38/86/74/488388674.db2.gz RDGACAYNEAQQFR-MSOLQXFVSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167382 488388676 /nfs/dbraw/zinc/38/86/76/488388676.db2.gz RDGACAYNEAQQFR-MSOLQXFVSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000074167382 488388680 /nfs/dbraw/zinc/38/86/80/488388680.db2.gz RDGACAYNEAQQFR-MSOLQXFVSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000184807737 488397252 /nfs/dbraw/zinc/39/72/52/488397252.db2.gz FLILEUHTDSRUDL-QGZVFWFLSA-N 2 1 355.527 0.111 10 0 FCAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185153039 488399420 /nfs/dbraw/zinc/39/94/20/488399420.db2.gz KPOPLYLNAKAPBU-RTBURBONSA-N 2 1 361.486 0.503 10 0 FCAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000185153039 488399423 /nfs/dbraw/zinc/39/94/23/488399423.db2.gz KPOPLYLNAKAPBU-RTBURBONSA-N 2 1 361.486 0.503 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185732320 488402550 /nfs/dbraw/zinc/40/25/50/488402550.db2.gz MCVADQQYZHHXRD-IRXDYDNUSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185732320 488402551 /nfs/dbraw/zinc/40/25/51/488402551.db2.gz MCVADQQYZHHXRD-IRXDYDNUSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000185732320 488402553 /nfs/dbraw/zinc/40/25/53/488402553.db2.gz MCVADQQYZHHXRD-IRXDYDNUSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077595398 488415985 /nfs/dbraw/zinc/41/59/85/488415985.db2.gz HFFCIMHIWMJJRB-SFHVURJKSA-N 2 1 368.522 0.851 10 0 FCAEMP Cc1c([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000193137945 488426162 /nfs/dbraw/zinc/42/61/62/488426162.db2.gz PKUBGXJRSGCKPC-ZBFHGGJFSA-N 2 1 351.495 0.852 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193830014 488429487 /nfs/dbraw/zinc/42/94/87/488429487.db2.gz AYQBHMKIWUYTMN-UHFFFAOYSA-N 2 1 365.522 0.714 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000246128491 488470079 /nfs/dbraw/zinc/47/00/79/488470079.db2.gz ITXPZZUQHNWEMF-JKSUJKDBSA-N 2 1 353.511 0.665 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1=O ZINC000247021296 488480192 /nfs/dbraw/zinc/48/01/92/488480192.db2.gz MZKVNRORHIHQNW-BBWFWOEESA-N 2 1 366.506 0.108 10 0 FCAEMP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247537986 488487884 /nfs/dbraw/zinc/48/78/84/488487884.db2.gz CSXDIAHGCLWKIJ-QWHCGFSZSA-N 2 1 351.499 0.605 10 0 FCAEMP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247537986 488487886 /nfs/dbraw/zinc/48/78/86/488487886.db2.gz CSXDIAHGCLWKIJ-QWHCGFSZSA-N 2 1 351.499 0.605 10 0 FCAEMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000248392975 488495349 /nfs/dbraw/zinc/49/53/49/488495349.db2.gz LLXNMQWTPVWELL-MOPGFXCFSA-N 2 1 361.486 0.457 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000248392975 488495350 /nfs/dbraw/zinc/49/53/50/488495350.db2.gz LLXNMQWTPVWELL-MOPGFXCFSA-N 2 1 361.486 0.457 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000248392975 488495352 /nfs/dbraw/zinc/49/53/52/488495352.db2.gz LLXNMQWTPVWELL-MOPGFXCFSA-N 2 1 361.486 0.457 10 0 FCAEMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000248392975 488495353 /nfs/dbraw/zinc/49/53/53/488495353.db2.gz LLXNMQWTPVWELL-MOPGFXCFSA-N 2 1 361.486 0.457 10 0 FCAEMP C(=C\C[N@H+]1CC[C@@H](N2CCOCC2)C1)\C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000255145370 488522724 /nfs/dbraw/zinc/52/27/24/488522724.db2.gz MMGZUALTBPIRLN-DZNLNZEASA-N 2 1 364.534 0.356 10 0 FCAEMP C(=C\C[N@@H+]1CC[C@H](N2CCOCC2)C1)\C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000255145370 488522726 /nfs/dbraw/zinc/52/27/26/488522726.db2.gz MMGZUALTBPIRLN-DZNLNZEASA-N 2 1 364.534 0.356 10 0 FCAEMP C(=C\C[N@H+]1CC[C@H](N2CCOCC2)C1)\C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000255145370 488522728 /nfs/dbraw/zinc/52/27/28/488522728.db2.gz MMGZUALTBPIRLN-DZNLNZEASA-N 2 1 364.534 0.356 10 0 FCAEMP CC[NH+]1CCN(c2ccc(CNC(=O)CN3CC[NH+](C)CC3)cn2)CC1 ZINC000109951326 488524807 /nfs/dbraw/zinc/52/48/07/488524807.db2.gz IJGOUOLPFXTFHH-UHFFFAOYSA-N 2 1 360.506 0.087 10 0 FCAEMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000261618367 488527321 /nfs/dbraw/zinc/52/73/21/488527321.db2.gz FUGFUNLTBPERBS-HIFRSBDPSA-N 2 1 350.438 0.790 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCS(=O)(=O)NC)CC2)CC1 ZINC000111238206 488529131 /nfs/dbraw/zinc/52/91/31/488529131.db2.gz SSQVJINYKQLLBX-UHFFFAOYSA-N 2 1 374.551 0.192 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111811370 488531300 /nfs/dbraw/zinc/53/13/00/488531300.db2.gz CHRPOHXJJRKTGB-BBWFWOEESA-N 2 1 356.511 0.896 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111811370 488531303 /nfs/dbraw/zinc/53/13/03/488531303.db2.gz CHRPOHXJJRKTGB-BBWFWOEESA-N 2 1 356.511 0.896 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111811370 488531306 /nfs/dbraw/zinc/53/13/06/488531306.db2.gz CHRPOHXJJRKTGB-BBWFWOEESA-N 2 1 356.511 0.896 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000261710578 488532542 /nfs/dbraw/zinc/53/25/42/488532542.db2.gz JEFOZDWAOBBHQV-DLBZAZTESA-N 2 1 350.507 0.907 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH3+])CCOCC3)C2)cc(OC)c1 ZINC000261747985 488534204 /nfs/dbraw/zinc/53/42/04/488534204.db2.gz FAZOOBKCYOUQFO-OAHLLOKOSA-N 2 1 363.458 0.902 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3([NH3+])CCOCC3)C2)cc(OC)c1 ZINC000261747985 488534207 /nfs/dbraw/zinc/53/42/07/488534207.db2.gz FAZOOBKCYOUQFO-OAHLLOKOSA-N 2 1 363.458 0.902 10 0 FCAEMP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261843043 488538269 /nfs/dbraw/zinc/53/82/69/488538269.db2.gz ALVDHGXGHXDKSO-ZACQAIPSSA-N 2 1 357.520 0.690 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113593591 488538664 /nfs/dbraw/zinc/53/86/64/488538664.db2.gz OEFAXFLQFWMYDZ-DOTOQJQBSA-N 2 1 365.522 0.855 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113593591 488538666 /nfs/dbraw/zinc/53/86/66/488538666.db2.gz OEFAXFLQFWMYDZ-DOTOQJQBSA-N 2 1 365.522 0.855 10 0 FCAEMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858762 488539134 /nfs/dbraw/zinc/53/91/34/488539134.db2.gz WGGZPGRHLCSAOQ-OWLYRPNTSA-N 2 1 358.486 0.773 10 0 FCAEMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858762 488539137 /nfs/dbraw/zinc/53/91/37/488539137.db2.gz WGGZPGRHLCSAOQ-OWLYRPNTSA-N 2 1 358.486 0.773 10 0 FCAEMP CCN1CC[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261902408 488540877 /nfs/dbraw/zinc/54/08/77/488540877.db2.gz RVVHUAFNNVBEDB-UHFFFAOYSA-N 2 1 360.502 0.948 10 0 FCAEMP CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261943257 488543321 /nfs/dbraw/zinc/54/33/21/488543321.db2.gz NEGOGDFJUIMGAU-RCCFBDPRSA-N 2 1 352.523 0.724 10 0 FCAEMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261962861 488544111 /nfs/dbraw/zinc/54/41/11/488544111.db2.gz PSTWBSSENLEVBR-BRWVUGGUSA-N 2 1 353.488 0.841 10 0 FCAEMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H](c1cccs1)N1CCOCC1 ZINC000262247664 488559800 /nfs/dbraw/zinc/55/98/00/488559800.db2.gz WPBCCOHLYQLMAD-MRXNPFEDSA-N 2 1 366.531 0.875 10 0 FCAEMP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000262731877 488588412 /nfs/dbraw/zinc/58/84/12/488588412.db2.gz ICSBPLWGJCTYBX-IAGOWNOFSA-N 2 1 361.490 0.992 10 0 FCAEMP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262731879 488588584 /nfs/dbraw/zinc/58/85/84/488588584.db2.gz ICSBPLWGJCTYBX-IRXDYDNUSA-N 2 1 361.490 0.992 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCCn2ccnc2)C1 ZINC000124217088 488590699 /nfs/dbraw/zinc/59/06/99/488590699.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 2 1 351.495 0.678 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCCn2ccnc2)C1 ZINC000124217088 488590700 /nfs/dbraw/zinc/59/07/00/488590700.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 2 1 351.495 0.678 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCCn2ccnc2)C1 ZINC000124217088 488590701 /nfs/dbraw/zinc/59/07/01/488590701.db2.gz XFEBZLHNFAJJNF-KRWDZBQOSA-N 2 1 351.495 0.678 10 0 FCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000263276746 488608748 /nfs/dbraw/zinc/60/87/48/488608748.db2.gz SWRAQGMLOJKIMR-CZUORRHYSA-N 2 1 370.291 0.956 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000131467093 488646214 /nfs/dbraw/zinc/64/62/14/488646214.db2.gz YGWVVACCIFIFSI-WBVHZDCISA-N 2 1 361.552 0.683 10 0 FCAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152581954 488720175 /nfs/dbraw/zinc/72/01/75/488720175.db2.gz JFCZYMZCLFGMTA-RBUKOAKNSA-N 2 1 372.513 0.924 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC000152867157 488724106 /nfs/dbraw/zinc/72/41/06/488724106.db2.gz JDRAVMCXEQZQHI-KZNAEPCWSA-N 2 1 353.507 0.960 10 0 FCAEMP 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0.433 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000558442654 491431224 /nfs/dbraw/zinc/43/12/24/491431224.db2.gz MRQSBFBBTFHAOC-PBHICJAKSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000566298143 491433355 /nfs/dbraw/zinc/43/33/55/491433355.db2.gz QBLSUKZRLPMXRZ-MRXNPFEDSA-N 2 1 363.510 0.350 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000573443259 491433900 /nfs/dbraw/zinc/43/39/00/491433900.db2.gz CIEFXDMVDMGAPB-PBHICJAKSA-N 2 1 370.457 0.998 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H]([C@@H](C)O)C3)CC2)CC1 ZINC000566689292 491461210 /nfs/dbraw/zinc/46/12/10/491461210.db2.gz QKPAQECUHLXDDN-CRAIPNDOSA-N 2 1 353.507 0.791 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000567234473 491493569 /nfs/dbraw/zinc/49/35/69/491493569.db2.gz IMXGHBIENYYTAD-INIZCTEOSA-N 2 1 353.511 0.524 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000567234473 491493572 /nfs/dbraw/zinc/49/35/72/491493572.db2.gz IMXGHBIENYYTAD-INIZCTEOSA-N 2 1 353.511 0.524 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000574450981 491497633 /nfs/dbraw/zinc/49/76/33/491497633.db2.gz XYHIVDZFRBTKOI-HQSKLWIPSA-N 2 1 362.518 0.430 10 0 FCAEMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc1 ZINC000567569685 491514243 /nfs/dbraw/zinc/51/42/43/491514243.db2.gz SKINILWNOACNBV-RHSMWYFYSA-N 2 1 360.458 0.948 10 0 FCAEMP O=C1CNC(=O)N1CC[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000574909458 491527277 /nfs/dbraw/zinc/52/72/77/491527277.db2.gz ZLTWMWGKZKTSNW-AWEZNQCLSA-N 2 1 359.430 0.687 10 0 FCAEMP O=C1CNC(=O)N1CCN1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000574909458 491527278 /nfs/dbraw/zinc/52/72/78/491527278.db2.gz ZLTWMWGKZKTSNW-AWEZNQCLSA-N 2 1 359.430 0.687 10 0 FCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000560295794 491529201 /nfs/dbraw/zinc/52/92/01/491529201.db2.gz YMQYSLNAVDQLOV-DLBZAZTESA-N 2 1 358.486 0.628 10 0 FCAEMP C[C@H]1CC2(C[N@H+]1CCCn1c(=O)c3c(ncn3C)n(C)c1=O)CC[NH2+]CC2 ZINC000575872332 491566805 /nfs/dbraw/zinc/56/68/05/491566805.db2.gz MCCMYVSPIVGRIP-AWEZNQCLSA-N 2 1 374.489 0.288 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000561119818 491575472 /nfs/dbraw/zinc/57/54/72/491575472.db2.gz DFYIMHGNRQHDKO-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000561119818 491575474 /nfs/dbraw/zinc/57/54/74/491575474.db2.gz DFYIMHGNRQHDKO-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000561119818 491575476 /nfs/dbraw/zinc/57/54/76/491575476.db2.gz DFYIMHGNRQHDKO-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000561119842 491575626 /nfs/dbraw/zinc/57/56/26/491575626.db2.gz AAJXTESBPROOIM-MRXNPFEDSA-N 2 1 354.495 0.158 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000576084973 491580585 /nfs/dbraw/zinc/58/05/85/491580585.db2.gz DAJZHHIABPVXDZ-GOSISDBHSA-N 2 1 360.502 0.724 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000576084973 491580586 /nfs/dbraw/zinc/58/05/86/491580586.db2.gz DAJZHHIABPVXDZ-GOSISDBHSA-N 2 1 360.502 0.724 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000576396694 491611643 /nfs/dbraw/zinc/61/16/43/491611643.db2.gz LGYBBGYUPXAFKF-UHFFFAOYSA-N 2 1 360.458 0.320 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C2CC3CC(C2)CC1C3 ZINC000576450876 491615555 /nfs/dbraw/zinc/61/55/55/491615555.db2.gz UNGOOIYVPRAMDR-PVLUHRGYSA-N 2 1 374.529 0.999 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](COC)C(N)=O)CC2)CC1 ZINC000576594850 491627956 /nfs/dbraw/zinc/62/79/56/491627956.db2.gz DAZZPMZJFMZNSY-INIZCTEOSA-N 2 1 354.495 0.141 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000576763831 491642651 /nfs/dbraw/zinc/64/26/51/491642651.db2.gz YCPAAIXLUPNNCP-MRXNPFEDSA-N 2 1 354.495 0.206 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000576835647 491649215 /nfs/dbraw/zinc/64/92/15/491649215.db2.gz IWSOAFQXCTWCHD-KRWDZBQOSA-N 2 1 360.506 0.837 10 0 FCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000578138231 491670757 /nfs/dbraw/zinc/67/07/57/491670757.db2.gz RIHNZFAJKKRCCE-INIZCTEOSA-N 2 1 368.522 0.404 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000578336180 491674976 /nfs/dbraw/zinc/67/49/76/491674976.db2.gz OLFJDMXBOKBCIC-QFBILLFUSA-N 2 1 366.506 0.206 10 0 FCAEMP CC(C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCN(C)CC1 ZINC000578354324 491675566 /nfs/dbraw/zinc/67/55/66/491675566.db2.gz WYUXQYCSYKZXFJ-RDJZCZTQSA-N 2 1 363.510 0.204 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579197186 491692797 /nfs/dbraw/zinc/69/27/97/491692797.db2.gz XGJATIWYRJLFOI-ICSRJNTNSA-N 2 1 361.486 0.586 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579197186 491692798 /nfs/dbraw/zinc/69/27/98/491692798.db2.gz XGJATIWYRJLFOI-ICSRJNTNSA-N 2 1 361.486 0.586 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000579197186 491692799 /nfs/dbraw/zinc/69/27/99/491692799.db2.gz XGJATIWYRJLFOI-ICSRJNTNSA-N 2 1 361.486 0.586 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000580294098 491724450 /nfs/dbraw/zinc/72/44/50/491724450.db2.gz UUHDVBWZLYFGRO-XMTFNYHQSA-N 2 1 356.470 0.901 10 0 FCAEMP O=S1(=O)C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)Oc2ccccc21 ZINC000580564888 491736449 /nfs/dbraw/zinc/73/64/49/491736449.db2.gz MTYWWVZZVALOPV-CAOSSQGBSA-N 2 1 366.483 0.968 10 0 FCAEMP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000580852408 491748854 /nfs/dbraw/zinc/74/88/54/491748854.db2.gz PAPSJGAZGUJYBP-ZWKOTPCHSA-N 2 1 373.501 0.769 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000581613774 491780125 /nfs/dbraw/zinc/78/01/25/491780125.db2.gz WIRDGCRFUJXCCG-HNNXBMFYSA-N 2 1 354.495 0.062 10 0 FCAEMP COC[C@]1(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000582954750 491833728 /nfs/dbraw/zinc/83/37/28/491833728.db2.gz VQXNHPBJWWVVIR-FUHWJXTLSA-N 2 1 354.495 0.651 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000583089991 491837719 /nfs/dbraw/zinc/83/77/19/491837719.db2.gz VTGAGWALIPJUEP-HZPDHXFCSA-N 2 1 356.511 0.306 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000583395889 491844015 /nfs/dbraw/zinc/84/40/15/491844015.db2.gz RCYUYPBKOZWEKB-SJORKVTESA-N 2 1 350.507 0.968 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000583395886 491844094 /nfs/dbraw/zinc/84/40/94/491844094.db2.gz RCYUYPBKOZWEKB-DLBZAZTESA-N 2 1 350.507 0.968 10 0 FCAEMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000583935016 491855057 /nfs/dbraw/zinc/85/50/57/491855057.db2.gz JITBYCYVVULXCV-GJZGRUSLSA-N 2 1 362.474 0.377 10 0 FCAEMP Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1NC(=O)CC[NH+](C)C ZINC000584168604 491859772 /nfs/dbraw/zinc/85/97/72/491859772.db2.gz RJKXOFGSDGWRMW-KRWDZBQOSA-N 2 1 364.490 0.990 10 0 FCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595400370 491928703 /nfs/dbraw/zinc/92/87/03/491928703.db2.gz GDJOSEDWOQKNDP-MRXNPFEDSA-N 2 1 368.522 0.498 10 0 FCAEMP COC(=O)[C@H]1CN(C(=O)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+](C)C1 ZINC000601630704 491939936 /nfs/dbraw/zinc/93/99/36/491939936.db2.gz DLZMBQYLMUGHGQ-MRXNPFEDSA-N 2 1 356.426 0.978 10 0 FCAEMP COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000601630704 491939938 /nfs/dbraw/zinc/93/99/38/491939938.db2.gz DLZMBQYLMUGHGQ-MRXNPFEDSA-N 2 1 356.426 0.978 10 0 FCAEMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)NC(=O)NCc1ccccc1 ZINC000595866324 491957956 /nfs/dbraw/zinc/95/79/56/491957956.db2.gz KBWGUBRJZOTMME-GOSISDBHSA-N 2 1 374.485 0.934 10 0 FCAEMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)NC(=O)NCc1ccccc1 ZINC000595866324 491957958 /nfs/dbraw/zinc/95/79/58/491957958.db2.gz KBWGUBRJZOTMME-GOSISDBHSA-N 2 1 374.485 0.934 10 0 FCAEMP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595890394 491959245 /nfs/dbraw/zinc/95/92/45/491959245.db2.gz CWSIBCMWEQIISO-OAHLLOKOSA-N 2 1 353.463 0.241 10 0 FCAEMP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595890394 491959248 /nfs/dbraw/zinc/95/92/48/491959248.db2.gz CWSIBCMWEQIISO-OAHLLOKOSA-N 2 1 353.463 0.241 10 0 FCAEMP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896668 491959941 /nfs/dbraw/zinc/95/99/41/491959941.db2.gz TZRWAGPUVLCRRU-VVLHAWIVSA-N 2 1 367.490 0.759 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000595947789 491964008 /nfs/dbraw/zinc/96/40/08/491964008.db2.gz HYCNTCMSGSOQSS-SJORKVTESA-N 2 1 362.474 0.199 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000595947789 491964009 /nfs/dbraw/zinc/96/40/09/491964009.db2.gz HYCNTCMSGSOQSS-SJORKVTESA-N 2 1 362.474 0.199 10 0 FCAEMP O=C(N1CC(C[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615146011 492076100 /nfs/dbraw/zinc/07/61/00/492076100.db2.gz MNGANCHIYFMDTA-HXUWFJFHSA-N 2 1 359.470 0.414 10 0 FCAEMP O=C(N1CC(C[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615146011 492076102 /nfs/dbraw/zinc/07/61/02/492076102.db2.gz MNGANCHIYFMDTA-HXUWFJFHSA-N 2 1 359.470 0.414 10 0 FCAEMP CC1[C@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000616383973 492128971 /nfs/dbraw/zinc/12/89/71/492128971.db2.gz JFZQCSYQTXRNTN-XSLAGTTESA-N 2 1 364.534 0.974 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)COc2ccccc21 ZINC000617503321 492172152 /nfs/dbraw/zinc/17/21/52/492172152.db2.gz DXZCKIZOYIPPRU-HNNXBMFYSA-N 2 1 362.474 0.800 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)COc2ccccc21 ZINC000617503321 492172155 /nfs/dbraw/zinc/17/21/55/492172155.db2.gz DXZCKIZOYIPPRU-HNNXBMFYSA-N 2 1 362.474 0.800 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000617503749 492172333 /nfs/dbraw/zinc/17/23/33/492172333.db2.gz XLAVLMCHMBFLPY-ZDUSSCGKSA-N 2 1 356.492 0.336 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000617503749 492172335 /nfs/dbraw/zinc/17/23/35/492172335.db2.gz XLAVLMCHMBFLPY-ZDUSSCGKSA-N 2 1 356.492 0.336 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000617506358 492172866 /nfs/dbraw/zinc/17/28/66/492172866.db2.gz KTMDSKVMNSZXGB-LBPRGKRZSA-N 2 1 374.482 0.475 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000617506358 492172867 /nfs/dbraw/zinc/17/28/67/492172867.db2.gz KTMDSKVMNSZXGB-LBPRGKRZSA-N 2 1 374.482 0.475 10 0 FCAEMP 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CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647562298 492309514 /nfs/dbraw/zinc/30/95/14/492309514.db2.gz AIUXCVWDUNPXOK-MRXNPFEDSA-N 2 1 366.506 0.110 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627476961 492314885 /nfs/dbraw/zinc/31/48/85/492314885.db2.gz OKMOARADLDZTOB-JSRQGNBESA-N 2 1 366.506 0.343 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627480131 492316184 /nfs/dbraw/zinc/31/61/84/492316184.db2.gz LGOKLEZVKSVUAI-BPQIPLTHSA-N 2 1 358.486 0.976 10 0 FCAEMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627487781 492319232 /nfs/dbraw/zinc/31/92/32/492319232.db2.gz KNHITMBFTAVEPR-DLBZAZTESA-N 2 1 368.522 0.581 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000627501628 492326059 /nfs/dbraw/zinc/32/60/59/492326059.db2.gz SBKISZOOLDWOFZ-YYIAUSFCSA-N 2 1 350.507 0.966 10 0 FCAEMP 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C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000620724214 492328838 /nfs/dbraw/zinc/32/88/38/492328838.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 1 371.529 0.309 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000620724214 492328840 /nfs/dbraw/zinc/32/88/40/492328840.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 1 371.529 0.309 10 0 FCAEMP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000620724214 492328843 /nfs/dbraw/zinc/32/88/43/492328843.db2.gz XVRCXJZXHHCNCV-UXHICEINSA-N 2 1 371.529 0.309 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651081 492330727 /nfs/dbraw/zinc/33/07/27/492330727.db2.gz UFLCTNLLUPMGHT-YESZJQIVSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651081 492330729 /nfs/dbraw/zinc/33/07/29/492330729.db2.gz UFLCTNLLUPMGHT-YESZJQIVSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651081 492330730 /nfs/dbraw/zinc/33/07/30/492330730.db2.gz UFLCTNLLUPMGHT-YESZJQIVSA-N 2 1 370.538 0.972 10 0 FCAEMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651081 492330733 /nfs/dbraw/zinc/33/07/33/492330733.db2.gz UFLCTNLLUPMGHT-YESZJQIVSA-N 2 1 370.538 0.972 10 0 FCAEMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000647595142 492330991 /nfs/dbraw/zinc/33/09/91/492330991.db2.gz PJLISFHYKBALPC-SOLBZPMBSA-N 2 1 356.470 0.814 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654679513 492337844 /nfs/dbraw/zinc/33/78/44/492337844.db2.gz XFJSTFFQXMCVMB-MRXNPFEDSA-N 2 1 372.477 0.545 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000642196506 492341124 /nfs/dbraw/zinc/34/11/24/492341124.db2.gz NGTNHVNIVIZYPA-ORQFMDKSSA-N 2 1 360.458 0.123 10 0 FCAEMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000642439439 492358072 /nfs/dbraw/zinc/35/80/72/492358072.db2.gz HHGMOEVRMOZIEY-DLBZAZTESA-N 2 1 359.474 0.545 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634746005 492366155 /nfs/dbraw/zinc/36/61/55/492366155.db2.gz BJSHXWJJWUFQJX-GJJHYRHESA-N 2 1 362.518 0.777 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000642778817 492388893 /nfs/dbraw/zinc/38/88/93/492388893.db2.gz MTFXTYAZQMTWLA-INIZCTEOSA-N 2 1 359.474 0.865 10 0 FCAEMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000642785823 492391969 /nfs/dbraw/zinc/39/19/69/492391969.db2.gz MJRHHBKLEHKLTJ-IRXDYDNUSA-N 2 1 357.458 0.155 10 0 FCAEMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000642785823 492391972 /nfs/dbraw/zinc/39/19/72/492391972.db2.gz MJRHHBKLEHKLTJ-IRXDYDNUSA-N 2 1 357.458 0.155 10 0 FCAEMP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000642993871 492413196 /nfs/dbraw/zinc/41/31/96/492413196.db2.gz IAGWUCIRIVNRDK-AWEZNQCLSA-N 2 1 368.428 0.820 10 0 FCAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000642993871 492413197 /nfs/dbraw/zinc/41/31/97/492413197.db2.gz IAGWUCIRIVNRDK-AWEZNQCLSA-N 2 1 368.428 0.820 10 0 FCAEMP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295690 492427521 /nfs/dbraw/zinc/42/75/21/492427521.db2.gz GUFDABRRUSSYNP-QXAKKESOSA-N 2 1 359.470 0.462 10 0 FCAEMP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295690 492427524 /nfs/dbraw/zinc/42/75/24/492427524.db2.gz GUFDABRRUSSYNP-QXAKKESOSA-N 2 1 359.470 0.462 10 0 FCAEMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000648786790 492456388 /nfs/dbraw/zinc/45/63/88/492456388.db2.gz PQGUFGDNTGJMFB-DLBZAZTESA-N 2 1 363.506 0.919 10 0 FCAEMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000648786790 492456393 /nfs/dbraw/zinc/45/63/93/492456393.db2.gz PQGUFGDNTGJMFB-DLBZAZTESA-N 2 1 363.506 0.919 10 0 FCAEMP CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655769335 492479951 /nfs/dbraw/zinc/47/99/51/492479951.db2.gz YBKAGLPGJJEPKG-IAGOWNOFSA-N 2 1 374.551 0.490 10 0 FCAEMP C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970920 492499917 /nfs/dbraw/zinc/49/99/17/492499917.db2.gz NAMUAABKWVYCLR-NCOADZHNSA-N 2 1 353.511 0.173 10 0 FCAEMP C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970920 492499920 /nfs/dbraw/zinc/49/99/20/492499920.db2.gz NAMUAABKWVYCLR-NCOADZHNSA-N 2 1 353.511 0.173 10 0 FCAEMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)C2)C1 ZINC000643590067 492500775 /nfs/dbraw/zinc/50/07/75/492500775.db2.gz DJTVLXCTBHNSGF-FXAWDEMLSA-N 2 1 371.485 0.499 10 0 FCAEMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)C2)C1 ZINC000643590067 492500777 /nfs/dbraw/zinc/50/07/77/492500777.db2.gz DJTVLXCTBHNSGF-FXAWDEMLSA-N 2 1 371.485 0.499 10 0 FCAEMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000649102142 492500801 /nfs/dbraw/zinc/50/08/01/492500801.db2.gz VOOWTWYCZXLSJM-OTWHNJEPSA-N 2 1 372.513 0.858 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656019544 492519035 /nfs/dbraw/zinc/51/90/35/492519035.db2.gz FUGYGCUYEJUSEO-MSOLQXFVSA-N 2 1 373.501 0.811 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)COC3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000649344729 492539796 /nfs/dbraw/zinc/53/97/96/492539796.db2.gz NZQIMRSPBXTADD-HNNXBMFYSA-N 2 1 363.458 0.773 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@H](NC(=O)COC3(C)C[NH2+]C3)C2)cc(OC)c1 ZINC000649344729 492539802 /nfs/dbraw/zinc/53/98/02/492539802.db2.gz NZQIMRSPBXTADD-HNNXBMFYSA-N 2 1 363.458 0.773 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656296283 492574904 /nfs/dbraw/zinc/57/49/04/492574904.db2.gz RNCLFMAHLNBJSC-WNKDZCFJSA-N 2 1 352.523 0.927 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000656325960 492593958 /nfs/dbraw/zinc/59/39/58/492593958.db2.gz FUJHFIQAROZAAK-OAGGEKHMSA-N 2 1 354.495 0.060 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000629570526 492648776 /nfs/dbraw/zinc/64/87/76/492648776.db2.gz DBXHHFMJUITSDR-KRWDZBQOSA-N 2 1 353.438 0.893 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000629570526 492648778 /nfs/dbraw/zinc/64/87/78/492648778.db2.gz DBXHHFMJUITSDR-KRWDZBQOSA-N 2 1 353.438 0.893 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650856642 492676406 /nfs/dbraw/zinc/67/64/06/492676406.db2.gz AXFJEZGPWISOTP-IYBDPMFKSA-N 2 1 353.511 0.665 10 0 FCAEMP 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CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625460073 492788699 /nfs/dbraw/zinc/78/86/99/492788699.db2.gz WKOKLAGVTIUKMF-INIZCTEOSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000625460073 492788705 /nfs/dbraw/zinc/78/87/05/492788705.db2.gz WKOKLAGVTIUKMF-INIZCTEOSA-N 2 1 366.506 0.035 10 0 FCAEMP CN1CCO[C@@H](CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000631719105 492840368 /nfs/dbraw/zinc/84/03/68/492840368.db2.gz VCRBQCGUWVYRQD-QGZVFWFLSA-N 2 1 353.488 0.295 10 0 FCAEMP CN1CCO[C@@H](CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000631719105 492840372 /nfs/dbraw/zinc/84/03/72/492840372.db2.gz VCRBQCGUWVYRQD-QGZVFWFLSA-N 2 1 353.488 0.295 10 0 FCAEMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000631911488 492878141 /nfs/dbraw/zinc/87/81/41/492878141.db2.gz HNUKQVKTICVKKA-KRWDZBQOSA-N 2 1 353.488 0.343 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631912578 492878823 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QCBAAEKQIJAGEX-LSDHHAIUSA-N 2 1 368.522 0.279 10 0 FCAEMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658748135 493039733 /nfs/dbraw/zinc/03/97/33/493039733.db2.gz KBWMAPMLASUYNY-RDJZCZTQSA-N 2 1 366.506 0.033 10 0 FCAEMP CCN(C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658800835 493059410 /nfs/dbraw/zinc/05/94/10/493059410.db2.gz AYPAGVPYOSRXSI-INIZCTEOSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801763 493060628 /nfs/dbraw/zinc/06/06/28/493060628.db2.gz JRXZPQKKOXKMDE-DLBZAZTESA-N 2 1 350.507 0.729 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626964363 493071224 /nfs/dbraw/zinc/07/12/24/493071224.db2.gz QIEALIGQJNBNCM-LSDHHAIUSA-N 2 1 351.495 0.513 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC000653115517 493072670 /nfs/dbraw/zinc/07/26/70/493072670.db2.gz RHXMXVHPMOVBQN-FTRWYGJKSA-N 2 1 372.469 0.558 10 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C[N@H+]1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](c2ccccc2)C1 ZINC000653125272 493075919 /nfs/dbraw/zinc/07/59/19/493075919.db2.gz VARBOEQAHJZERC-ZVDOUQERSA-N 2 1 372.513 0.717 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627019730 493082172 /nfs/dbraw/zinc/08/21/72/493082172.db2.gz NASOAKLOYXGHTJ-SFHVURJKSA-N 2 1 364.490 0.813 10 0 FCAEMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627038083 493083950 /nfs/dbraw/zinc/08/39/50/493083950.db2.gz HKTRWGUEVUIYIZ-INIZCTEOSA-N 2 1 368.526 0.459 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000653246887 493086170 /nfs/dbraw/zinc/08/61/70/493086170.db2.gz CFAQZXPAUMUREI-GUDVDZBRSA-N 2 1 360.502 0.797 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627176076 493100979 /nfs/dbraw/zinc/10/09/79/493100979.db2.gz ISHSLAOJHWOXQP-SFHVURJKSA-N 2 1 350.463 0.159 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000627226864 493110910 /nfs/dbraw/zinc/11/09/10/493110910.db2.gz SXLRMVJYKSYUTM-JYJNAYRXSA-N 2 1 351.495 0.370 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000633096748 493123427 /nfs/dbraw/zinc/12/34/27/493123427.db2.gz AMMAIUXWFZGXKQ-SJORKVTESA-N 2 1 350.507 0.907 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633099026 493123923 /nfs/dbraw/zinc/12/39/23/493123923.db2.gz PGJJWBAZGFMTMR-INIZCTEOSA-N 2 1 368.522 0.533 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)CCC3)[C@H]2C1 ZINC000646923749 493127809 /nfs/dbraw/zinc/12/78/09/493127809.db2.gz ZDXBARRALMGJJR-YVSFHVDLSA-N 2 1 360.502 0.482 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C2(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)CCC2)C1 ZINC000646923749 493127815 /nfs/dbraw/zinc/12/78/15/493127815.db2.gz ZDXBARRALMGJJR-YVSFHVDLSA-N 2 1 360.502 0.482 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C2(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CCC2)C1 ZINC000646923749 493127820 /nfs/dbraw/zinc/12/78/20/493127820.db2.gz ZDXBARRALMGJJR-YVSFHVDLSA-N 2 1 360.502 0.482 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]1 ZINC000627290391 493135772 /nfs/dbraw/zinc/13/57/72/493135772.db2.gz OQLZPAIUNUDUDZ-HOTGVXAUSA-N 2 1 366.506 0.394 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000627302125 493142081 /nfs/dbraw/zinc/14/20/81/493142081.db2.gz ZIEXRDGLKBGQPO-WMLDXEAASA-N 2 1 360.458 0.002 10 0 FCAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627312425 493146855 /nfs/dbraw/zinc/14/68/55/493146855.db2.gz YILMOWHTFFQYLN-QXSJWSMHSA-N 2 1 350.507 0.870 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659102495 493153411 /nfs/dbraw/zinc/15/34/11/493153411.db2.gz DGCSYPGRJPMLNS-DLBZAZTESA-N 2 1 360.458 0.887 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)CCC(F)(F)F ZINC000627336834 493159858 /nfs/dbraw/zinc/15/98/58/493159858.db2.gz LMYULRYLUASJRH-GFCCVEGCSA-N 2 1 364.412 0.778 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)CCC(F)(F)F ZINC000627336834 493159861 /nfs/dbraw/zinc/15/98/61/493159861.db2.gz LMYULRYLUASJRH-GFCCVEGCSA-N 2 1 364.412 0.778 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627362256 493178944 /nfs/dbraw/zinc/17/89/44/493178944.db2.gz JRCPCZOIFGTPII-CWLKWCNXSA-N 2 1 374.485 0.259 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627362256 493178948 /nfs/dbraw/zinc/17/89/48/493178948.db2.gz JRCPCZOIFGTPII-CWLKWCNXSA-N 2 1 374.485 0.259 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828411 493187416 /nfs/dbraw/zinc/18/74/16/493187416.db2.gz NNAFYLIXQJKBAL-BTHPGYMESA-N 2 1 372.513 0.516 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000627388294 493195877 /nfs/dbraw/zinc/19/58/77/493195877.db2.gz QXDKMPPGJCKFKM-WBVHZDCISA-N 2 1 362.474 0.118 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672543342 493201529 /nfs/dbraw/zinc/20/15/29/493201529.db2.gz FWNYMNYFSHAIMX-GDBMZVCRSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672543342 493201536 /nfs/dbraw/zinc/20/15/36/493201536.db2.gz FWNYMNYFSHAIMX-GDBMZVCRSA-N 2 1 354.495 0.060 10 0 FCAEMP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659506326 493202899 /nfs/dbraw/zinc/20/28/99/493202899.db2.gz PVEUHWGFZJERQD-IAGOWNOFSA-N 2 1 365.522 0.224 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659572486 493214537 /nfs/dbraw/zinc/21/45/37/493214537.db2.gz WHPIPKCRAWSWJJ-UHFFFAOYSA-N 2 1 365.522 0.844 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639703 493222086 /nfs/dbraw/zinc/22/20/86/493222086.db2.gz FDJXIWUFDKJWIS-HZPDHXFCSA-N 2 1 367.538 0.118 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639703 493222088 /nfs/dbraw/zinc/22/20/88/493222088.db2.gz FDJXIWUFDKJWIS-HZPDHXFCSA-N 2 1 367.538 0.118 10 0 FCAEMP CN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000659627483 493222384 /nfs/dbraw/zinc/22/23/84/493222384.db2.gz VQAMJAJXFNXTAF-RTBURBONSA-N 2 1 374.533 0.087 10 0 FCAEMP CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000659627483 493222388 /nfs/dbraw/zinc/22/23/88/493222388.db2.gz VQAMJAJXFNXTAF-RTBURBONSA-N 2 1 374.533 0.087 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[C@H]1F ZINC000659673734 493244699 /nfs/dbraw/zinc/24/46/99/493244699.db2.gz NFJSTSZMKBJJNI-MCIONIFRSA-N 2 1 352.410 0.430 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659680916 493248971 /nfs/dbraw/zinc/24/89/71/493248971.db2.gz MQRKWJZSGFPNNT-WWMCIYDGSA-N 2 1 350.507 0.727 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000659683047 493250354 /nfs/dbraw/zinc/25/03/54/493250354.db2.gz SAHZTXQHGQZBEP-JJXSEGSLSA-N 2 1 372.485 0.137 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659689120 493254208 /nfs/dbraw/zinc/25/42/08/493254208.db2.gz SQXHALVWAVZWQD-XPQZIERPSA-N 2 1 370.497 0.535 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659695343 493257830 /nfs/dbraw/zinc/25/78/30/493257830.db2.gz YUBPVAYEFOVUQB-XTIMDLJNSA-N 2 1 370.497 0.963 10 0 FCAEMP C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659696751 493258438 /nfs/dbraw/zinc/25/84/38/493258438.db2.gz MUTZCQQPJHHNHC-TYJOOELLSA-N 2 1 370.497 0.881 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659706404 493264723 /nfs/dbraw/zinc/26/47/23/493264723.db2.gz KSPYXVMCNBQGJT-IAGOWNOFSA-N 2 1 366.506 0.062 10 0 FCAEMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659713570 493267731 /nfs/dbraw/zinc/26/77/31/493267731.db2.gz FYTHPEHZRGSHPD-ROUUACIJSA-N 2 1 370.497 0.883 10 0 FCAEMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)C1 ZINC000659739367 493280463 /nfs/dbraw/zinc/28/04/63/493280463.db2.gz RNNOFNKUEUKMIV-WBVHZDCISA-N 2 1 374.485 0.769 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)C1 ZINC000659739367 493280465 /nfs/dbraw/zinc/28/04/65/493280465.db2.gz RNNOFNKUEUKMIV-WBVHZDCISA-N 2 1 374.485 0.769 10 0 FCAEMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)C1 ZINC000659739365 493280473 /nfs/dbraw/zinc/28/04/73/493280473.db2.gz RNNOFNKUEUKMIV-NVXWUHKLSA-N 2 1 374.485 0.769 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)C1 ZINC000659739365 493280474 /nfs/dbraw/zinc/28/04/74/493280474.db2.gz RNNOFNKUEUKMIV-NVXWUHKLSA-N 2 1 374.485 0.769 10 0 FCAEMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742894 493282258 /nfs/dbraw/zinc/28/22/58/493282258.db2.gz VJKBZJYXSKHBLU-UHFFFAOYSA-N 2 1 358.442 0.628 10 0 FCAEMP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000667558118 493289573 /nfs/dbraw/zinc/28/95/73/493289573.db2.gz VULUCOAGDRMKTB-VIFPVBQESA-N 2 1 357.252 0.913 10 0 FCAEMP C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000682347279 493292684 /nfs/dbraw/zinc/29/26/84/493292684.db2.gz OSLFBTIWFZTKIA-ZDUSSCGKSA-N 2 1 354.414 0.972 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1nccn1C ZINC000667812479 493303405 /nfs/dbraw/zinc/30/34/05/493303405.db2.gz NWDWDNJIRRZLDX-INIZCTEOSA-N 2 1 351.495 0.811 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673866401 493369434 /nfs/dbraw/zinc/36/94/34/493369434.db2.gz BRYHFGPLXYVKNC-UHFFFAOYSA-N 2 1 351.499 0.592 10 0 FCAEMP CCN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668538392 493372664 /nfs/dbraw/zinc/37/26/64/493372664.db2.gz ZSFNOMUCPFLJSZ-QGZVFWFLSA-N 2 1 350.507 0.920 10 0 FCAEMP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668633649 493387014 /nfs/dbraw/zinc/38/70/14/493387014.db2.gz PWUPJJXDTJBLSF-OAHLLOKOSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668786867 493410419 /nfs/dbraw/zinc/41/04/19/493410419.db2.gz JFUPNCIDEXUDCF-GJZGRUSLSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668786867 493410422 /nfs/dbraw/zinc/41/04/22/493410422.db2.gz JFUPNCIDEXUDCF-GJZGRUSLSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668786867 493410423 /nfs/dbraw/zinc/41/04/23/493410423.db2.gz JFUPNCIDEXUDCF-GJZGRUSLSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668786852 493410654 /nfs/dbraw/zinc/41/06/54/493410654.db2.gz IZBPBOMDXTYWLP-HUUCEWRRSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668786852 493410655 /nfs/dbraw/zinc/41/06/55/493410655.db2.gz IZBPBOMDXTYWLP-HUUCEWRRSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668786852 493410657 /nfs/dbraw/zinc/41/06/57/493410657.db2.gz IZBPBOMDXTYWLP-HUUCEWRRSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000668892707 493430233 /nfs/dbraw/zinc/43/02/33/493430233.db2.gz JILMXKIYBAFRLP-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1C ZINC000668892704 493430664 /nfs/dbraw/zinc/43/06/64/493430664.db2.gz JILMXKIYBAFRLP-BZUAXINKSA-N 2 1 354.495 0.155 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@H](C)CO)C1 ZINC000661431032 493436788 /nfs/dbraw/zinc/43/67/88/493436788.db2.gz BEGBUJNVVIIVAT-KURKYZTESA-N 2 1 355.523 0.942 10 0 FCAEMP 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C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707771 672290018 /nfs/dbraw/zinc/29/00/18/672290018.db2.gz JTJLUDGZRFKZJO-LJIZCISZSA-N 2 1 350.463 0.358 10 0 FCAEMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707771 672290019 /nfs/dbraw/zinc/29/00/19/672290019.db2.gz JTJLUDGZRFKZJO-LJIZCISZSA-N 2 1 350.463 0.358 10 0 FCAEMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000866711433 672291176 /nfs/dbraw/zinc/29/11/76/672291176.db2.gz KVKIKYRETCYLGT-AXFHLTTASA-N 2 1 355.332 0.770 10 0 FCAEMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)C2)C1 ZINC000868411210 672399187 /nfs/dbraw/zinc/39/91/87/672399187.db2.gz NPTWFDJKFUKLRU-MOPGFXCFSA-N 2 1 350.507 0.764 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872146431 672594714 /nfs/dbraw/zinc/59/47/14/672594714.db2.gz NIBQCRNMRFOOKF-XUWVNRHRSA-N 2 1 351.447 0.439 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872188738 672597961 /nfs/dbraw/zinc/59/79/61/672597961.db2.gz BPQDMJWRWHLUIW-NDBYEHHHSA-N 2 1 364.412 0.381 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC000872189898 672598678 /nfs/dbraw/zinc/59/86/78/672598678.db2.gz PBGOBYWXMMVZLU-CYDGBPFRSA-N 2 1 364.412 0.523 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC000872189898 672598679 /nfs/dbraw/zinc/59/86/79/672598679.db2.gz PBGOBYWXMMVZLU-CYDGBPFRSA-N 2 1 364.412 0.523 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872191770 672600262 /nfs/dbraw/zinc/60/02/62/672600262.db2.gz NVJPNBLAGQCYQP-CMPLNLGQSA-N 2 1 350.385 0.135 10 0 FCAEMP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000926061138 673809856 /nfs/dbraw/zinc/80/98/56/673809856.db2.gz LZGKADQFLRPSQP-UHFFFAOYSA-N 2 1 361.368 0.955 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000927634664 673872123 /nfs/dbraw/zinc/87/21/23/673872123.db2.gz LCQCKWBYUGBETF-IRXDYDNUSA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CCCC[NH+]1CCO ZINC000927634664 673872127 /nfs/dbraw/zinc/87/21/27/673872127.db2.gz LCQCKWBYUGBETF-IRXDYDNUSA-N 2 1 354.495 0.386 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000928428760 673909965 /nfs/dbraw/zinc/90/99/65/673909965.db2.gz YSNCPXZPQJZFFQ-RNGXCGTMSA-N 2 1 350.507 0.820 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000928428760 673909966 /nfs/dbraw/zinc/90/99/66/673909966.db2.gz YSNCPXZPQJZFFQ-RNGXCGTMSA-N 2 1 350.507 0.820 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000928428760 673909967 /nfs/dbraw/zinc/90/99/67/673909967.db2.gz YSNCPXZPQJZFFQ-RNGXCGTMSA-N 2 1 350.507 0.820 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1cccs1 ZINC000929160518 673941555 /nfs/dbraw/zinc/94/15/55/673941555.db2.gz CTXXHVCPTHTHBO-SUNYJGFJSA-N 2 1 364.515 0.877 10 0 FCAEMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000929866910 673981448 /nfs/dbraw/zinc/98/14/48/673981448.db2.gz JHWRSCYXJANXJK-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929866910 673981451 /nfs/dbraw/zinc/98/14/51/673981451.db2.gz JHWRSCYXJANXJK-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929866910 673981454 /nfs/dbraw/zinc/98/14/54/673981454.db2.gz JHWRSCYXJANXJK-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929866910 673981456 /nfs/dbraw/zinc/98/14/56/673981456.db2.gz JHWRSCYXJANXJK-GJZGRUSLSA-N 2 1 356.536 0.531 10 0 FCAEMP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929866910 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DEEFDFOAWPJTAM-LJQANCHMSA-N 2 1 353.507 0.937 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001746157864 1192240605 /nfs/dbraw/zinc/24/06/05/1192240605.db2.gz KQTSMNYFBYTRMO-BFYDXBDKSA-N 2 1 368.522 0.448 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000122064205 1169258654 /nfs/dbraw/zinc/25/86/54/1169258654.db2.gz BYVZQWQKYUYORM-GDBMZVCRSA-N 2 1 362.478 0.326 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001670474658 1169356527 /nfs/dbraw/zinc/35/65/27/1169356527.db2.gz ICAOUWYSCQWXHB-GVDBMIGSSA-N 2 1 366.506 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cc3n(n2)CCC3)CC[N@@H+]1C ZINC001272168890 1192685138 /nfs/dbraw/zinc/68/51/38/1192685138.db2.gz MNSWXHBQZLDCMP-ZWKOTPCHSA-N 2 1 363.506 0.470 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cc3n(n2)CCC3)CC[N@H+]1C ZINC001272168890 1192685142 /nfs/dbraw/zinc/68/51/42/1192685142.db2.gz MNSWXHBQZLDCMP-ZWKOTPCHSA-N 2 1 363.506 0.470 10 0 FCAEMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000898011876 1192854049 /nfs/dbraw/zinc/85/40/49/1192854049.db2.gz NOMFODQWFUUBBQ-JKSUJKDBSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000898011876 1192854050 /nfs/dbraw/zinc/85/40/50/1192854050.db2.gz NOMFODQWFUUBBQ-JKSUJKDBSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000898070561 1192856988 /nfs/dbraw/zinc/85/69/88/1192856988.db2.gz SLCAXVBPYWJIIP-IAGOWNOFSA-N 2 1 373.501 0.967 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@@H]1c1ccccc1 ZINC000842030986 1192859059 /nfs/dbraw/zinc/85/90/59/1192859059.db2.gz DINBGXZTOQCPMV-ZWOKBUDYSA-N 2 1 356.470 0.903 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001267293499 1179343141 /nfs/dbraw/zinc/34/31/41/1179343141.db2.gz UAXKFNLNIDSDDG-BZUAXINKSA-N 2 1 367.538 0.862 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001267293499 1179343151 /nfs/dbraw/zinc/34/31/51/1179343151.db2.gz UAXKFNLNIDSDDG-BZUAXINKSA-N 2 1 367.538 0.862 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCNC(=O)NC(C)(C)C)C2)CC[NH+]1C ZINC001267293499 1179343160 /nfs/dbraw/zinc/34/31/60/1179343160.db2.gz UAXKFNLNIDSDDG-BZUAXINKSA-N 2 1 367.538 0.862 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001719689793 1179405989 /nfs/dbraw/zinc/40/59/89/1179405989.db2.gz UOYFWKZWFIVIOL-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@]2(C)C1 ZINC001719689812 1179406724 /nfs/dbraw/zinc/40/67/24/1179406724.db2.gz VDFIXOKLGFZOOS-UXPWSPDFSA-N 2 1 362.518 0.731 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000128523281 1180141077 /nfs/dbraw/zinc/14/10/77/1180141077.db2.gz UHSQSJLORXFJMG-HOCLYGCPSA-N 2 1 362.478 0.326 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NCC[NH+](C)C ZINC000134074432 1181855748 /nfs/dbraw/zinc/85/57/48/1181855748.db2.gz UHEHHWNUCLGZNM-SJORKVTESA-N 2 1 367.538 0.862 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@@H]21 ZINC000659074478 1181988373 /nfs/dbraw/zinc/98/83/73/1181988373.db2.gz JAQZEPXQPJSXEJ-PVAVHDDUSA-N 2 1 358.442 0.449 10 0 FCAEMP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001481498392 1186186324 /nfs/dbraw/zinc/18/63/24/1186186324.db2.gz ODFGVLPCUDKKFL-NXHRZFHOSA-N 2 1 358.486 0.597 10 0 FCAEMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481498392 1186186327 /nfs/dbraw/zinc/18/63/27/1186186327.db2.gz ODFGVLPCUDKKFL-NXHRZFHOSA-N 2 1 358.486 0.597 10 0 FCAEMP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481498392 1186186337 /nfs/dbraw/zinc/18/63/37/1186186337.db2.gz ODFGVLPCUDKKFL-NXHRZFHOSA-N 2 1 358.486 0.597 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001719847361 1186354318 /nfs/dbraw/zinc/35/43/18/1186354318.db2.gz LVUWMWHBCZNWND-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001719847361 1186354324 /nfs/dbraw/zinc/35/43/24/1186354324.db2.gz LVUWMWHBCZNWND-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001719847361 1186354329 /nfs/dbraw/zinc/35/43/29/1186354329.db2.gz LVUWMWHBCZNWND-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268250737 1186674399 /nfs/dbraw/zinc/67/43/99/1186674399.db2.gz GWGLSHJKGGJLDU-SQNIBIBYSA-N 2 1 358.486 0.611 10 0 FCAEMP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268250737 1186674401 /nfs/dbraw/zinc/67/44/01/1186674401.db2.gz GWGLSHJKGGJLDU-SQNIBIBYSA-N 2 1 358.486 0.611 10 0 FCAEMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268250737 1186674404 /nfs/dbraw/zinc/67/44/04/1186674404.db2.gz GWGLSHJKGGJLDU-SQNIBIBYSA-N 2 1 358.486 0.611 10 0 FCAEMP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268250737 1186674407 /nfs/dbraw/zinc/67/44/07/1186674407.db2.gz GWGLSHJKGGJLDU-SQNIBIBYSA-N 2 1 358.486 0.611 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001481726013 1187470885 /nfs/dbraw/zinc/47/08/85/1187470885.db2.gz CEDYHVXJSBHQGC-HRCADAONSA-N 2 1 359.536 0.684 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)Nc1nncs1 ZINC001481814233 1187539812 /nfs/dbraw/zinc/53/98/12/1187539812.db2.gz RTWHHUNHHAGGCG-RWMBFGLXSA-N 2 1 368.507 0.691 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C ZINC000937298249 1187623244 /nfs/dbraw/zinc/62/32/44/1187623244.db2.gz FMJUOOSILOKTSE-LTIDMASMSA-N 2 1 360.502 0.767 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268704764 1187763268 /nfs/dbraw/zinc/76/32/68/1187763268.db2.gz QRWYUZIFRNJBRL-UAGQMJEPSA-N 2 1 356.474 0.755 10 0 FCAEMP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268704764 1187763272 /nfs/dbraw/zinc/76/32/72/1187763272.db2.gz QRWYUZIFRNJBRL-UAGQMJEPSA-N 2 1 356.474 0.755 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001268793002 1187781524 /nfs/dbraw/zinc/78/15/24/1187781524.db2.gz GEFJGJYDOORLAN-LSDHHAIUSA-N 2 1 367.494 0.143 10 0 FCAEMP COCCOc1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000262096522 1188356211 /nfs/dbraw/zinc/35/62/11/1188356211.db2.gz HYSWPZQVCXEJCI-INIZCTEOSA-N 2 1 363.458 0.920 10 0 FCAEMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896499997 1190071464 /nfs/dbraw/zinc/07/14/64/1190071464.db2.gz XEEIGLSKCKIKEQ-FQEVSTJZSA-N 2 1 372.513 0.988 10 0 FCAEMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897355725 1190782958 /nfs/dbraw/zinc/78/29/58/1190782958.db2.gz CJCMRSAEEFCAIT-MOPGFXCFSA-N 2 1 359.470 0.590 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000552884742 1193958277 /nfs/dbraw/zinc/95/82/77/1193958277.db2.gz JKFOMLVKMVGAHI-KLAILNCOSA-N 2 1 368.522 0.308 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000552939756 1193959672 /nfs/dbraw/zinc/95/96/72/1193959672.db2.gz WPYYLWBNXCXOOX-JKSUJKDBSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000552939756 1193959676 /nfs/dbraw/zinc/95/96/76/1193959676.db2.gz WPYYLWBNXCXOOX-JKSUJKDBSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000552939756 1193959679 /nfs/dbraw/zinc/95/96/79/1193959679.db2.gz WPYYLWBNXCXOOX-JKSUJKDBSA-N 2 1 368.522 0.450 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000552939662 1193960003 /nfs/dbraw/zinc/96/00/03/1193960003.db2.gz SWOBVNLRVXOBJK-DLBZAZTESA-N 2 1 368.522 0.308 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000552939662 1193960007 /nfs/dbraw/zinc/96/00/07/1193960007.db2.gz SWOBVNLRVXOBJK-DLBZAZTESA-N 2 1 368.522 0.308 10 0 FCAEMP CC(C)Nc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(NCCO)[nH+]1 ZINC000553481799 1194002802 /nfs/dbraw/zinc/00/28/02/1194002802.db2.gz MYSRSDHUKSRBKC-HZPDHXFCSA-N 2 1 371.489 0.219 10 0 FCAEMP CC(C)Nc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nc(NCCO)[nH+]1 ZINC000553481799 1194002806 /nfs/dbraw/zinc/00/28/06/1194002806.db2.gz MYSRSDHUKSRBKC-HZPDHXFCSA-N 2 1 371.489 0.219 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000553733978 1194017238 /nfs/dbraw/zinc/01/72/38/1194017238.db2.gz UDJYATCXHCDAHF-QGZVFWFLSA-N 2 1 366.506 0.158 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000908156603 1195724316 /nfs/dbraw/zinc/72/43/16/1195724316.db2.gz OZRGXFLNECEPRT-IBGZPJMESA-N 2 1 368.522 0.282 10 0 FCAEMP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000592183826 1196541548 /nfs/dbraw/zinc/54/15/48/1196541548.db2.gz BYGBRSIGFADCRW-HNNXBMFYSA-N 2 1 367.490 0.583 10 0 FCAEMP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000592183826 1196541549 /nfs/dbraw/zinc/54/15/49/1196541549.db2.gz BYGBRSIGFADCRW-HNNXBMFYSA-N 2 1 367.490 0.583 10 0 FCAEMP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000914017685 1197202047 /nfs/dbraw/zinc/20/20/47/1197202047.db2.gz IZUCWLIYGGTIFU-GOSISDBHSA-N 2 1 367.538 0.565 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000914017685 1197202049 /nfs/dbraw/zinc/20/20/49/1197202049.db2.gz IZUCWLIYGGTIFU-GOSISDBHSA-N 2 1 367.538 0.565 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000914017685 1197202053 /nfs/dbraw/zinc/20/20/53/1197202053.db2.gz IZUCWLIYGGTIFU-GOSISDBHSA-N 2 1 367.538 0.565 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001146979025 1204750725 /nfs/dbraw/zinc/75/07/25/1204750725.db2.gz XYBHRAMTYISGNI-DZGCQCFKSA-N 2 1 370.494 0.861 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001146979025 1204750729 /nfs/dbraw/zinc/75/07/29/1204750729.db2.gz XYBHRAMTYISGNI-DZGCQCFKSA-N 2 1 370.494 0.861 10 0 FCAEMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC([NH2+]C4COC4)C3)cc21 ZINC001179461776 1206380778 /nfs/dbraw/zinc/38/07/78/1206380778.db2.gz CIQBFQGLUCMLJM-UHFFFAOYSA-N 2 1 359.430 0.116 10 0 FCAEMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867421204 1208472663 /nfs/dbraw/zinc/47/26/63/1208472663.db2.gz QWMCVYVDPDWUPH-IKGGRYGDSA-N 2 1 366.506 0.108 10 0 FCAEMP COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001488539460 1208532217 /nfs/dbraw/zinc/53/22/17/1208532217.db2.gz HNFHYTZWWBQYNR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP COCCN(CCNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001488539460 1208532220 /nfs/dbraw/zinc/53/22/20/1208532220.db2.gz HNFHYTZWWBQYNR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP COCCN(CCNC(=O)C[C@H]1CC[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001488539460 1208532221 /nfs/dbraw/zinc/53/22/21/1208532221.db2.gz HNFHYTZWWBQYNR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001488960382 1208574225 /nfs/dbraw/zinc/57/42/25/1208574225.db2.gz IMISKWMIQFWIQK-YESZJQIVSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001488955530 1208584480 /nfs/dbraw/zinc/58/44/80/1208584480.db2.gz QOZHWRFSYWIWGV-SOUVJXGZSA-N 2 1 361.494 0.724 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001489008626 1208604530 /nfs/dbraw/zinc/60/45/30/1208604530.db2.gz YAWXPAIXTSLIRZ-MCIONIFRSA-N 2 1 367.412 0.723 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001489008626 1208604532 /nfs/dbraw/zinc/60/45/32/1208604532.db2.gz YAWXPAIXTSLIRZ-MCIONIFRSA-N 2 1 367.412 0.723 10 0 FCAEMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001489023204 1208610417 /nfs/dbraw/zinc/61/04/17/1208610417.db2.gz YOFIKGVQDMZLAY-HZPDHXFCSA-N 2 1 365.478 0.169 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC001489072757 1208620298 /nfs/dbraw/zinc/62/02/98/1208620298.db2.gz JSCWACAPRRVMOF-HZPDHXFCSA-N 2 1 350.507 0.825 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC)[NH+](CC)CC ZINC001489132035 1208634789 /nfs/dbraw/zinc/63/47/89/1208634789.db2.gz DVQZPJMSCNSXOB-MJBXVCDLSA-N 2 1 355.483 0.271 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC)[NH+](CC)CC ZINC001489132035 1208634791 /nfs/dbraw/zinc/63/47/91/1208634791.db2.gz DVQZPJMSCNSXOB-MJBXVCDLSA-N 2 1 355.483 0.271 10 0 FCAEMP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489206298 1208670118 /nfs/dbraw/zinc/67/01/18/1208670118.db2.gz QIIUQEJTIQBPHO-ZACQAIPSSA-N 2 1 371.547 0.543 10 0 FCAEMP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489206298 1208670125 /nfs/dbraw/zinc/67/01/25/1208670125.db2.gz QIIUQEJTIQBPHO-ZACQAIPSSA-N 2 1 371.547 0.543 10 0 FCAEMP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001489206298 1208670135 /nfs/dbraw/zinc/67/01/35/1208670135.db2.gz QIIUQEJTIQBPHO-ZACQAIPSSA-N 2 1 371.547 0.543 10 0 FCAEMP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001489206298 1208670146 /nfs/dbraw/zinc/67/01/46/1208670146.db2.gz QIIUQEJTIQBPHO-ZACQAIPSSA-N 2 1 371.547 0.543 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489208296 1208672501 /nfs/dbraw/zinc/67/25/01/1208672501.db2.gz QGKKJMGHFFLUCS-CVEARBPZSA-N 2 1 351.495 0.132 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489208296 1208672506 /nfs/dbraw/zinc/67/25/06/1208672506.db2.gz QGKKJMGHFFLUCS-CVEARBPZSA-N 2 1 351.495 0.132 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001489286256 1208717329 /nfs/dbraw/zinc/71/73/29/1208717329.db2.gz DMZBBNKFOHDDDR-PBHICJAKSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001489286256 1208717333 /nfs/dbraw/zinc/71/73/33/1208717333.db2.gz DMZBBNKFOHDDDR-PBHICJAKSA-N 2 1 350.507 0.776 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305417 1208738752 /nfs/dbraw/zinc/73/87/52/1208738752.db2.gz RTYDMXNLQHLSNB-RDBSUJKOSA-N 2 1 355.483 0.141 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305417 1208738755 /nfs/dbraw/zinc/73/87/55/1208738755.db2.gz RTYDMXNLQHLSNB-RDBSUJKOSA-N 2 1 355.483 0.141 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305417 1208738758 /nfs/dbraw/zinc/73/87/58/1208738758.db2.gz RTYDMXNLQHLSNB-RDBSUJKOSA-N 2 1 355.483 0.141 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)[C@@H]1C ZINC001489305417 1208738761 /nfs/dbraw/zinc/73/87/61/1208738761.db2.gz RTYDMXNLQHLSNB-RDBSUJKOSA-N 2 1 355.483 0.141 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C)[NH+](C)C ZINC001489273618 1208751001 /nfs/dbraw/zinc/75/10/01/1208751001.db2.gz DZBDULCTEJGLLU-QLFBSQMISA-N 2 1 362.540 0.187 10 0 FCAEMP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001489276274 1208753325 /nfs/dbraw/zinc/75/33/25/1208753325.db2.gz ZGWVUEQXOPEXKP-KBMXLJTQSA-N 2 1 359.430 0.467 10 0 FCAEMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001489494334 1208890106 /nfs/dbraw/zinc/89/01/06/1208890106.db2.gz JBVRIWWBCXNQOO-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001489655871 1209042420 /nfs/dbraw/zinc/04/24/20/1209042420.db2.gz RQCXJPAANRPHHN-NVXWUHKLSA-N 2 1 350.507 0.870 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001489655871 1209042425 /nfs/dbraw/zinc/04/24/25/1209042425.db2.gz RQCXJPAANRPHHN-NVXWUHKLSA-N 2 1 350.507 0.870 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001489655871 1209042431 /nfs/dbraw/zinc/04/24/31/1209042431.db2.gz RQCXJPAANRPHHN-NVXWUHKLSA-N 2 1 350.507 0.870 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001489894481 1209115757 /nfs/dbraw/zinc/11/57/57/1209115757.db2.gz NFWFKPZQKYQVTO-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001489894481 1209115764 /nfs/dbraw/zinc/11/57/64/1209115764.db2.gz NFWFKPZQKYQVTO-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001489894481 1209115771 /nfs/dbraw/zinc/11/57/71/1209115771.db2.gz NFWFKPZQKYQVTO-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001489894481 1209115777 /nfs/dbraw/zinc/11/57/77/1209115777.db2.gz NFWFKPZQKYQVTO-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001489894481 1209115782 /nfs/dbraw/zinc/11/57/82/1209115782.db2.gz NFWFKPZQKYQVTO-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001490103887 1209231213 /nfs/dbraw/zinc/23/12/13/1209231213.db2.gz MGUMOVABSMIFSV-WBVHZDCISA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001490103887 1209231217 /nfs/dbraw/zinc/23/12/17/1209231217.db2.gz MGUMOVABSMIFSV-WBVHZDCISA-N 2 1 366.506 0.299 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H]1C ZINC001490118063 1209242209 /nfs/dbraw/zinc/24/22/09/1209242209.db2.gz WBDKWCDZYMYAAB-GJYPPUQNSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H]1C ZINC001490118063 1209242211 /nfs/dbraw/zinc/24/22/11/1209242211.db2.gz WBDKWCDZYMYAAB-GJYPPUQNSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H]1C ZINC001490118063 1209242214 /nfs/dbraw/zinc/24/22/14/1209242214.db2.gz WBDKWCDZYMYAAB-GJYPPUQNSA-N 2 1 350.507 0.920 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001490307240 1209303949 /nfs/dbraw/zinc/30/39/49/1209303949.db2.gz LJCHGEGAJWNGDQ-NXHRZFHOSA-N 2 1 364.534 0.879 10 0 FCAEMP Cc1conc1CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490466095 1209354526 /nfs/dbraw/zinc/35/45/26/1209354526.db2.gz FBQCIIMSGNUUQO-IAGOWNOFSA-N 2 1 363.506 0.947 10 0 FCAEMP Cc1conc1CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001490466095 1209354533 /nfs/dbraw/zinc/35/45/33/1209354533.db2.gz FBQCIIMSGNUUQO-IAGOWNOFSA-N 2 1 363.506 0.947 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cncn1C ZINC001490671207 1209398142 /nfs/dbraw/zinc/39/81/42/1209398142.db2.gz URQFQLFRQGRESE-PVAVHDDUSA-N 2 1 361.490 0.943 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001490714859 1209411451 /nfs/dbraw/zinc/41/14/51/1209411451.db2.gz DAYJHICUAJMZOO-NCOADZHNSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001490714859 1209411452 /nfs/dbraw/zinc/41/14/52/1209411452.db2.gz DAYJHICUAJMZOO-NCOADZHNSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001490714859 1209411453 /nfs/dbraw/zinc/41/14/53/1209411453.db2.gz DAYJHICUAJMZOO-NCOADZHNSA-N 2 1 350.507 0.917 10 0 FCAEMP 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0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCO1 ZINC000867639811 1210019765 /nfs/dbraw/zinc/01/97/65/1210019765.db2.gz DDPFPORSEMUVHK-BRWVUGGUSA-N 2 1 366.506 0.108 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)CC1 ZINC000867742587 1210028111 /nfs/dbraw/zinc/02/81/11/1210028111.db2.gz QMTTXCVSTYMSEZ-UHFFFAOYSA-N 2 1 368.522 0.234 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000867742587 1210028114 /nfs/dbraw/zinc/02/81/14/1210028114.db2.gz QMTTXCVSTYMSEZ-UHFFFAOYSA-N 2 1 368.522 0.234 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000867742587 1210028118 /nfs/dbraw/zinc/02/81/18/1210028118.db2.gz QMTTXCVSTYMSEZ-UHFFFAOYSA-N 2 1 368.522 0.234 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868232898 1210045091 /nfs/dbraw/zinc/04/50/91/1210045091.db2.gz UMYRXCAIXVCSLY-IXDOHACOSA-N 2 1 360.458 0.355 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868390855 1210061078 /nfs/dbraw/zinc/06/10/78/1210061078.db2.gz BJLQBJUCPZBCHM-DZJNRPSUSA-N 2 1 374.460 0.631 10 0 FCAEMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000868392061 1210061621 /nfs/dbraw/zinc/06/16/21/1210061621.db2.gz QVZRKIMHDYXEOE-OXXUSNJHSA-N 2 1 374.460 0.631 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868416698 1210063705 /nfs/dbraw/zinc/06/37/05/1210063705.db2.gz BEGKIICUTBJFBV-CVEARBPZSA-N 2 1 366.506 0.156 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC[N@@H+]1CCOC ZINC000868416729 1210063747 /nfs/dbraw/zinc/06/37/47/1210063747.db2.gz FYMSSTIJWIGQDM-ZACQAIPSSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC[N@H+]1CCOC ZINC000868416729 1210063753 /nfs/dbraw/zinc/06/37/53/1210063753.db2.gz FYMSSTIJWIGQDM-ZACQAIPSSA-N 2 1 366.506 0.299 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1Cc1ccccc1 ZINC000868419973 1210064927 /nfs/dbraw/zinc/06/49/27/1210064927.db2.gz SYDAWKXLFWXXEQ-GBESFXJTSA-N 2 1 370.497 0.725 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1Cc1ccccc1 ZINC000868419973 1210064931 /nfs/dbraw/zinc/06/49/31/1210064931.db2.gz SYDAWKXLFWXXEQ-GBESFXJTSA-N 2 1 370.497 0.725 10 0 FCAEMP O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000868421064 1210065208 /nfs/dbraw/zinc/06/52/08/1210065208.db2.gz HHGRDNMPTJJTCB-RBUKOAKNSA-N 2 1 370.497 0.726 10 0 FCAEMP COC(=O)C1CCN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000871785059 1210170780 /nfs/dbraw/zinc/17/07/80/1210170780.db2.gz FRKSGWFIDXPBGK-GOOCMWNKSA-N 2 1 366.462 0.769 10 0 FCAEMP COC(=O)C1CCN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000871785059 1210170792 /nfs/dbraw/zinc/17/07/92/1210170792.db2.gz FRKSGWFIDXPBGK-GOOCMWNKSA-N 2 1 366.462 0.769 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872186241 1210174895 /nfs/dbraw/zinc/17/48/95/1210174895.db2.gz JDWJGPPYHNBFDV-WAOWUJCRSA-N 2 1 370.497 0.787 10 0 FCAEMP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000872189546 1210176075 /nfs/dbraw/zinc/17/60/75/1210176075.db2.gz HSTUUAXDEOWBBY-KRWDZBQOSA-N 2 1 367.538 0.202 10 0 FCAEMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000872192323 1210177201 /nfs/dbraw/zinc/17/72/01/1210177201.db2.gz GONSVSOZTMKBKK-DOHHPOSVSA-N 2 1 360.502 0.530 10 0 FCAEMP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255235 1210183253 /nfs/dbraw/zinc/18/32/53/1210183253.db2.gz RYFFDHYKRNVVJK-KURKYZTESA-N 2 1 370.453 0.946 10 0 FCAEMP C[C@H](C[N@@H+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275561101 1211257591 /nfs/dbraw/zinc/25/75/91/1211257591.db2.gz WEXNETJRTPCTCO-RBSFLKMASA-N 2 1 365.526 0.747 10 0 FCAEMP C[C@H](C[NH+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275561101 1211257593 /nfs/dbraw/zinc/25/75/93/1211257593.db2.gz WEXNETJRTPCTCO-RBSFLKMASA-N 2 1 365.526 0.747 10 0 FCAEMP C[C@H](C[NH+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275561101 1211257595 /nfs/dbraw/zinc/25/75/95/1211257595.db2.gz WEXNETJRTPCTCO-RBSFLKMASA-N 2 1 365.526 0.747 10 0 FCAEMP CC1=CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000545858984 1211424118 /nfs/dbraw/zinc/42/41/18/1211424118.db2.gz MMGDLWDRTXZATG-KRWDZBQOSA-N 2 1 365.522 0.880 10 0 FCAEMP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000545858984 1211424120 /nfs/dbraw/zinc/42/41/20/1211424120.db2.gz MMGDLWDRTXZATG-KRWDZBQOSA-N 2 1 365.522 0.880 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000545858984 1211424123 /nfs/dbraw/zinc/42/41/23/1211424123.db2.gz MMGDLWDRTXZATG-KRWDZBQOSA-N 2 1 365.522 0.880 10 0 FCAEMP O=C1NCC2(CCOCC2)[C@@H]1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000925134496 1211491297 /nfs/dbraw/zinc/49/12/97/1211491297.db2.gz SEWGDDVXHZXUHG-YLJYHZDGSA-N 2 1 359.470 0.508 10 0 FCAEMP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000925134496 1211491300 /nfs/dbraw/zinc/49/13/00/1211491300.db2.gz SEWGDDVXHZXUHG-YLJYHZDGSA-N 2 1 359.470 0.508 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926308015 1211528702 /nfs/dbraw/zinc/52/87/02/1211528702.db2.gz LBXZVQTUGSBOFP-HOTGVXAUSA-N 2 1 366.506 0.143 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@H]1C ZINC000926345678 1211536418 /nfs/dbraw/zinc/53/64/18/1211536418.db2.gz FSAHNZIMHCAEHG-PMPSAXMXSA-N 2 1 366.506 0.284 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[C@H]1C ZINC000926345678 1211536421 /nfs/dbraw/zinc/53/64/21/1211536421.db2.gz FSAHNZIMHCAEHG-PMPSAXMXSA-N 2 1 366.506 0.284 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000926351144 1211537322 /nfs/dbraw/zinc/53/73/22/1211537322.db2.gz FWOQUMHLGVNSHQ-HZPDHXFCSA-N 2 1 368.522 0.247 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926352141 1211538234 /nfs/dbraw/zinc/53/82/34/1211538234.db2.gz NAFQRORABZJBPJ-HZPDHXFCSA-N 2 1 366.506 0.143 10 0 FCAEMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000926397837 1211545740 /nfs/dbraw/zinc/54/57/40/1211545740.db2.gz GVHPELMUOFMHSU-CVEARBPZSA-N 2 1 366.506 0.286 10 0 FCAEMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927644328 1211578960 /nfs/dbraw/zinc/57/89/60/1211578960.db2.gz LLFFJPNHSWBATH-SFHVURJKSA-N 2 1 368.522 0.992 10 0 FCAEMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927644328 1211578966 /nfs/dbraw/zinc/57/89/66/1211578966.db2.gz LLFFJPNHSWBATH-SFHVURJKSA-N 2 1 368.522 0.992 10 0 FCAEMP C[C@H](c1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000927810499 1211582685 /nfs/dbraw/zinc/58/26/85/1211582685.db2.gz KIEVKAULAFZUHH-CKEIUWERSA-N 2 1 360.458 0.742 10 0 FCAEMP O=C(Nc1ccc(F)nc1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000927834303 1211584071 /nfs/dbraw/zinc/58/40/71/1211584071.db2.gz IOANTDZZSSKQAJ-GASCZTMLSA-N 2 1 361.421 0.586 10 0 FCAEMP O=C(Nc1ccc(F)nc1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000927834303 1211584074 /nfs/dbraw/zinc/58/40/74/1211584074.db2.gz IOANTDZZSSKQAJ-GASCZTMLSA-N 2 1 361.421 0.586 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000927857584 1211585983 /nfs/dbraw/zinc/58/59/83/1211585983.db2.gz KDYQEORVYDOUJK-SJORKVTESA-N 2 1 374.510 0.967 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000927857584 1211585984 /nfs/dbraw/zinc/58/59/84/1211585984.db2.gz KDYQEORVYDOUJK-SJORKVTESA-N 2 1 374.510 0.967 10 0 FCAEMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)c2C1 ZINC000927883833 1211590044 /nfs/dbraw/zinc/59/00/44/1211590044.db2.gz VRNNQJLBGVCERX-IBGZPJMESA-N 2 1 360.458 0.663 10 0 FCAEMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)c2C1 ZINC000927883833 1211590045 /nfs/dbraw/zinc/59/00/45/1211590045.db2.gz VRNNQJLBGVCERX-IBGZPJMESA-N 2 1 360.458 0.663 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cc[nH]c2CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429507 1211602421 /nfs/dbraw/zinc/60/24/21/1211602421.db2.gz WVXGTBNXAJUGBV-RRCSTGOVSA-N 2 1 361.490 0.588 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)Cc2[nH]ccc2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429507 1211602428 /nfs/dbraw/zinc/60/24/28/1211602428.db2.gz WVXGTBNXAJUGBV-RRCSTGOVSA-N 2 1 361.490 0.588 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)Cc2[nH]ccc2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928429507 1211602430 /nfs/dbraw/zinc/60/24/30/1211602430.db2.gz WVXGTBNXAJUGBV-RRCSTGOVSA-N 2 1 361.490 0.588 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000929230605 1211624617 /nfs/dbraw/zinc/62/46/17/1211624617.db2.gz ZPBMKCODRFSUFY-INIZCTEOSA-N 2 1 366.506 0.156 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929405217 1211636984 /nfs/dbraw/zinc/63/69/84/1211636984.db2.gz RHWGAGWVMDBOCN-ZACQAIPSSA-N 2 1 366.506 0.035 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929406556 1211637068 /nfs/dbraw/zinc/63/70/68/1211637068.db2.gz XQFJNTZNFUGFEP-INIZCTEOSA-N 2 1 363.462 0.067 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929406556 1211637072 /nfs/dbraw/zinc/63/70/72/1211637072.db2.gz XQFJNTZNFUGFEP-INIZCTEOSA-N 2 1 363.462 0.067 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929954188 1211675322 /nfs/dbraw/zinc/67/53/22/1211675322.db2.gz FVZPEUVBVFKDGI-SJORKVTESA-N 2 1 366.506 0.347 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929954188 1211675325 /nfs/dbraw/zinc/67/53/25/1211675325.db2.gz FVZPEUVBVFKDGI-SJORKVTESA-N 2 1 366.506 0.347 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929954188 1211675326 /nfs/dbraw/zinc/67/53/26/1211675326.db2.gz FVZPEUVBVFKDGI-SJORKVTESA-N 2 1 366.506 0.347 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000930201813 1211695720 /nfs/dbraw/zinc/69/57/20/1211695720.db2.gz HVRVKOPUHTVYPA-BRWVUGGUSA-N 2 1 366.506 0.035 10 0 FCAEMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000930366165 1211705426 /nfs/dbraw/zinc/70/54/26/1211705426.db2.gz FLRFADRPEFUREX-RGCFKVTRSA-N 2 1 374.529 0.824 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000930366165 1211705431 /nfs/dbraw/zinc/70/54/31/1211705431.db2.gz FLRFADRPEFUREX-RGCFKVTRSA-N 2 1 374.529 0.824 10 0 FCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000930366165 1211705436 /nfs/dbraw/zinc/70/54/36/1211705436.db2.gz FLRFADRPEFUREX-RGCFKVTRSA-N 2 1 374.529 0.824 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000930932551 1211728988 /nfs/dbraw/zinc/72/89/88/1211728988.db2.gz IVWVDHXJJQEEHL-SJORKVTESA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930932551 1211728989 /nfs/dbraw/zinc/72/89/89/1211728989.db2.gz IVWVDHXJJQEEHL-SJORKVTESA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930932551 1211728992 /nfs/dbraw/zinc/72/89/92/1211728992.db2.gz IVWVDHXJJQEEHL-SJORKVTESA-N 2 1 368.522 0.138 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C[NH+](C)C ZINC000931061622 1211738136 /nfs/dbraw/zinc/73/81/36/1211738136.db2.gz JKLQJLKZPYKBNZ-DLBZAZTESA-N 2 1 368.522 0.593 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000779655693 1212805421 /nfs/dbraw/zinc/80/54/21/1212805421.db2.gz UYXUXJWARFLGCN-OAHLLOKOSA-N 2 1 364.402 0.961 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000779655693 1212805424 /nfs/dbraw/zinc/80/54/24/1212805424.db2.gz UYXUXJWARFLGCN-OAHLLOKOSA-N 2 1 364.402 0.961 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900703733 1218027447 /nfs/dbraw/zinc/02/74/47/1218027447.db2.gz OJUVGUJYDWQWCO-UYAOXDASSA-N 2 1 361.486 0.715 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000901069350 1218074024 /nfs/dbraw/zinc/07/40/24/1218074024.db2.gz YARKLLAJKMTFEB-QUCCMNQESA-N 2 1 361.486 0.369 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000901069350 1218074027 /nfs/dbraw/zinc/07/40/27/1218074027.db2.gz YARKLLAJKMTFEB-QUCCMNQESA-N 2 1 361.486 0.369 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000901069350 1218074031 /nfs/dbraw/zinc/07/40/31/1218074031.db2.gz YARKLLAJKMTFEB-QUCCMNQESA-N 2 1 361.486 0.369 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H]1CCCN(c3cnn(C)c3)C1=O)C2 ZINC000903493251 1218426219 /nfs/dbraw/zinc/42/62/19/1218426219.db2.gz QSUSDFRZEKAPLF-OJIVJNGMSA-N 2 1 361.446 0.128 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(=O)n3cc(C)ccc3n1)C2 ZINC000903491099 1218426391 /nfs/dbraw/zinc/42/63/91/1218426391.db2.gz UZVHNQFAOOLFRS-KSMMKXTCSA-N 2 1 356.426 0.715 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903719452 1218506989 /nfs/dbraw/zinc/50/69/89/1218506989.db2.gz LNSWPFWJKBGEIP-IAGOWNOFSA-N 2 1 358.486 0.915 10 0 FCAEMP [NH3+][C@H]1CN(C(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC[C@H]1C(F)(F)F ZINC000903740998 1218512105 /nfs/dbraw/zinc/51/21/05/1218512105.db2.gz ARXHSMWOGDSKPO-NEPJUHHUSA-N 2 1 373.379 0.854 10 0 FCAEMP CN(Cc1ccon1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903747412 1218514132 /nfs/dbraw/zinc/51/41/32/1218514132.db2.gz OLVPJEDKEZDFLL-IYBDPMFKSA-N 2 1 361.446 0.060 10 0 FCAEMP CN(Cc1ccon1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903747412 1218514136 /nfs/dbraw/zinc/51/41/36/1218514136.db2.gz OLVPJEDKEZDFLL-IYBDPMFKSA-N 2 1 361.446 0.060 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804052693 1219107497 /nfs/dbraw/zinc/10/74/97/1219107497.db2.gz ZLHBRCVZSLSLMP-SJORKVTESA-N 2 1 366.506 0.204 10 0 FCAEMP CC(C)NC(=O)NCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491107062 1220085166 /nfs/dbraw/zinc/08/51/66/1220085166.db2.gz CSUMZXGGSFJTAE-IXDOHACOSA-N 2 1 367.538 0.862 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491107062 1220085171 /nfs/dbraw/zinc/08/51/71/1220085171.db2.gz CSUMZXGGSFJTAE-IXDOHACOSA-N 2 1 367.538 0.862 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491107062 1220085175 /nfs/dbraw/zinc/08/51/75/1220085175.db2.gz CSUMZXGGSFJTAE-IXDOHACOSA-N 2 1 367.538 0.862 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001491174363 1220090750 /nfs/dbraw/zinc/09/07/50/1220090750.db2.gz YEUOPKFOFCOWNL-NXHRZFHOSA-N 2 1 358.486 0.645 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H]1c1ccc(F)cc1 ZINC001118549259 1221799872 /nfs/dbraw/zinc/79/98/72/1221799872.db2.gz XXUPQGDPHMWIIN-GZIFXBHBSA-N 2 1 360.433 0.637 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@H]1c1ccc(F)cc1 ZINC001118549259 1221799877 /nfs/dbraw/zinc/79/98/77/1221799877.db2.gz XXUPQGDPHMWIIN-GZIFXBHBSA-N 2 1 360.433 0.637 10 0 FCAEMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001118580322 1221803451 /nfs/dbraw/zinc/80/34/51/1221803451.db2.gz BAYRXXQFJBWVFG-KRWDZBQOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)[C@H]2C1 ZINC001123650843 1222347358 /nfs/dbraw/zinc/34/73/58/1222347358.db2.gz XZJONERPMJSDII-ULQDDVLXSA-N 2 1 365.522 0.618 10 0 FCAEMP C[NH+]1C[C@@H]2[C@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@H+](C)C[C@H]43)CC[C@@H]2C1 ZINC001124106663 1222381176 /nfs/dbraw/zinc/38/11/76/1222381176.db2.gz HZPNABSICVVCCV-RAAKFAEASA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)[C@@H]2C1 ZINC001124106663 1222381181 /nfs/dbraw/zinc/38/11/81/1222381181.db2.gz HZPNABSICVVCCV-RAAKFAEASA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)[C@@H]2C1 ZINC001124106663 1222381186 /nfs/dbraw/zinc/38/11/86/1222381186.db2.gz HZPNABSICVVCCV-RAAKFAEASA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000828284801 1222399609 /nfs/dbraw/zinc/39/96/09/1222399609.db2.gz SARHBVJFRDKELY-OIISXLGYSA-N 2 1 366.506 0.033 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550095 1245399764 /nfs/dbraw/zinc/39/97/64/1245399764.db2.gz BVISJZROCRDFCS-KBAYOESNSA-N 2 1 363.506 0.540 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCOCC1 ZINC000849550095 1245399769 /nfs/dbraw/zinc/39/97/69/1245399769.db2.gz BVISJZROCRDFCS-KBAYOESNSA-N 2 1 363.506 0.540 10 0 FCAEMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849524141 1245399796 /nfs/dbraw/zinc/39/97/96/1245399796.db2.gz FFWLGBILQRETKD-QZTJIDSGSA-N 2 1 363.506 0.636 10 0 FCAEMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849524141 1245399802 /nfs/dbraw/zinc/39/98/02/1245399802.db2.gz FFWLGBILQRETKD-QZTJIDSGSA-N 2 1 363.506 0.636 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CCC[NH+]2CCCO)cn1 ZINC000849596469 1245405127 /nfs/dbraw/zinc/40/51/27/1245405127.db2.gz AGZIMXTXLMRBKX-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC000849596469 1245405132 /nfs/dbraw/zinc/40/51/32/1245405132.db2.gz AGZIMXTXLMRBKX-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cn1 ZINC000849596469 1245405138 /nfs/dbraw/zinc/40/51/38/1245405138.db2.gz AGZIMXTXLMRBKX-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849587875 1245405564 /nfs/dbraw/zinc/40/55/64/1245405564.db2.gz VVFAOAYCQVLBIQ-KURKYZTESA-N 2 1 365.522 0.664 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[NH+](CCCO)C2)cn1 ZINC000849598957 1245406682 /nfs/dbraw/zinc/40/66/82/1245406682.db2.gz JDWHEDKAZGGGCK-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cn1 ZINC000849598957 1245406688 /nfs/dbraw/zinc/40/66/88/1245406688.db2.gz JDWHEDKAZGGGCK-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@H]2C[NH+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cn1 ZINC000849598957 1245406694 /nfs/dbraw/zinc/40/66/94/1245406694.db2.gz JDWHEDKAZGGGCK-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP C[NH+](C)C1(CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000923006706 1245695952 /nfs/dbraw/zinc/69/59/52/1245695952.db2.gz JFUILVUTVJPDRT-UHFFFAOYSA-N 2 1 365.522 0.666 10 0 FCAEMP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000923416796 1245717072 /nfs/dbraw/zinc/71/70/72/1245717072.db2.gz ZWOJMRUUHPOWIQ-IDCNUPLLSA-N 2 1 361.442 0.602 10 0 FCAEMP Cc1cc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)n(-c2ccc(C)cc2)n1 ZINC000923462236 1245720029 /nfs/dbraw/zinc/72/00/29/1245720029.db2.gz FZRMGAUACKJZAP-UHFFFAOYSA-N 2 1 356.474 0.922 10 0 FCAEMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000923461505 1245720331 /nfs/dbraw/zinc/72/03/31/1245720331.db2.gz QESLYZFOKARDSM-UHFFFAOYSA-N 2 1 374.407 0.739 10 0 FCAEMP CCOc1ccc([C@@H](C)NC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000923461048 1245720744 /nfs/dbraw/zinc/72/07/44/1245720744.db2.gz JYHGIPMMPILCGR-OAHLLOKOSA-N 2 1 364.490 0.766 10 0 FCAEMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@]([NH3+])(CO)C3)CC2)c1 ZINC000923479004 1245723088 /nfs/dbraw/zinc/72/30/88/1245723088.db2.gz VISATUBSHTXCNY-HXUWFJFHSA-N 2 1 360.502 0.425 10 0 FCAEMP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503214 1245724872 /nfs/dbraw/zinc/72/48/72/1245724872.db2.gz HUXLGPRLPFFNFP-OWCLPIDISA-N 2 1 362.474 0.869 10 0 FCAEMP OCC1(CO)CC[NH+](Cc2cccc(C[N@@H+]3CCC(CO)(CO)C3)c2)C1 ZINC001327913745 1265451442 /nfs/dbraw/zinc/45/14/42/1265451442.db2.gz QYHNLWQGPUPWOE-UHFFFAOYSA-N 2 1 364.486 0.040 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001520309306 1265903883 /nfs/dbraw/zinc/90/38/83/1265903883.db2.gz YQMSUICODQIMLZ-BBWFWOEESA-N 2 1 350.507 0.587 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H]1C ZINC001520726348 1265981004 /nfs/dbraw/zinc/98/10/04/1265981004.db2.gz VNDHGWOBADTZLU-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H]1C ZINC001520726348 1265981021 /nfs/dbraw/zinc/98/10/21/1265981021.db2.gz VNDHGWOBADTZLU-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001521005636 1266061590 /nfs/dbraw/zinc/06/15/90/1266061590.db2.gz AXNBWBFVOGJEEZ-YVSFHVDLSA-N 2 1 368.522 0.401 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001521654558 1266158918 /nfs/dbraw/zinc/15/89/18/1266158918.db2.gz OFKSKMNQIVIGKP-TXPKVOOTSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001521654558 1266158921 /nfs/dbraw/zinc/15/89/21/1266158921.db2.gz OFKSKMNQIVIGKP-TXPKVOOTSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001521654558 1266158925 /nfs/dbraw/zinc/15/89/25/1266158925.db2.gz OFKSKMNQIVIGKP-TXPKVOOTSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001521654557 1266159271 /nfs/dbraw/zinc/15/92/71/1266159271.db2.gz OFKSKMNQIVIGKP-JTDSTZFVSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001521654557 1266159277 /nfs/dbraw/zinc/15/92/77/1266159277.db2.gz OFKSKMNQIVIGKP-JTDSTZFVSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001521654557 1266159282 /nfs/dbraw/zinc/15/92/82/1266159282.db2.gz OFKSKMNQIVIGKP-JTDSTZFVSA-N 2 1 350.507 0.587 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)CC[N@H+]1C ZINC001521907342 1266208330 /nfs/dbraw/zinc/20/83/30/1266208330.db2.gz NBVHKDGOYYFILA-QBPKDAKJSA-N 2 1 364.534 0.879 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC001331713327 1266270744 /nfs/dbraw/zinc/27/07/44/1266270744.db2.gz ZJXRHGLJTXAHAT-SZVBFZGTSA-N 2 1 371.485 0.779 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@H]32)CC[N@H+]1C ZINC001335372165 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CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001571388831 1269931482 /nfs/dbraw/zinc/93/14/82/1269931482.db2.gz ZBBAYKRCGSADRM-HZSPNIEDSA-N 2 1 351.451 0.780 10 0 FCAEMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H]1CCc2ncnn21 ZINC001571640029 1269946962 /nfs/dbraw/zinc/94/69/62/1269946962.db2.gz GNOWTIOPXYCVQF-BZUAXINKSA-N 2 1 364.494 0.170 10 0 FCAEMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H]1CCc2ncnn21 ZINC001571640029 1269946967 /nfs/dbraw/zinc/94/69/67/1269946967.db2.gz GNOWTIOPXYCVQF-BZUAXINKSA-N 2 1 364.494 0.170 10 0 FCAEMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H]1CCc2ncnn21 ZINC001571640029 1269946974 /nfs/dbraw/zinc/94/69/74/1269946974.db2.gz GNOWTIOPXYCVQF-BZUAXINKSA-N 2 1 364.494 0.170 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1OC ZINC001572961626 1270415698 /nfs/dbraw/zinc/41/56/98/1270415698.db2.gz BIHNJPZDRKMHOC-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1OC ZINC001572961626 1270415702 /nfs/dbraw/zinc/41/57/02/1270415702.db2.gz BIHNJPZDRKMHOC-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1OC ZINC001572961626 1270415709 /nfs/dbraw/zinc/41/57/09/1270415709.db2.gz BIHNJPZDRKMHOC-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001573063681 1270585384 /nfs/dbraw/zinc/58/53/84/1270585384.db2.gz TWIRUJHGCMISPU-BZUAXINKSA-N 2 1 350.507 0.870 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]21 ZINC001573068867 1270590160 /nfs/dbraw/zinc/59/01/60/1270590160.db2.gz BCOUKPPQAWPOIC-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001573068867 1270590163 /nfs/dbraw/zinc/59/01/63/1270590163.db2.gz BCOUKPPQAWPOIC-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]21 ZINC001573068867 1270590167 /nfs/dbraw/zinc/59/01/67/1270590167.db2.gz BCOUKPPQAWPOIC-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001573214414 1270680865 /nfs/dbraw/zinc/68/08/65/1270680865.db2.gz MYNQNUMFYINRCX-BRWVUGGUSA-N 2 1 366.506 0.014 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001573500440 1270797289 /nfs/dbraw/zinc/79/72/89/1270797289.db2.gz HCMIGDHGNFKWKI-OIISXLGYSA-N 2 1 350.507 0.774 10 0 FCAEMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1N3C(=O)CC[NH+](C)C)CC2 ZINC001574349292 1271225139 /nfs/dbraw/zinc/22/51/39/1271225139.db2.gz UGVPZGUFMIWHJF-LMSBXDPUSA-N 2 1 373.501 0.954 10 0 FCAEMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001574675997 1271485996 /nfs/dbraw/zinc/48/59/96/1271485996.db2.gz FTTMPPFTBLFPDE-FTRWYGJKSA-N 2 1 362.518 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001713147459 1287268218 /nfs/dbraw/zinc/26/82/18/1287268218.db2.gz DDKQJETYSWCXPM-GRYCIOLGSA-N 2 1 350.385 0.196 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001713191710 1287269214 /nfs/dbraw/zinc/26/92/14/1287269214.db2.gz LXOKLPCCCYAFGE-VVLHAWIVSA-N 2 1 366.506 0.249 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713408408 1287276191 /nfs/dbraw/zinc/27/61/91/1287276191.db2.gz OLVFJNQZSFLTGL-RBSFLKMASA-N 2 1 369.510 0.293 10 0 FCAEMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713432269 1287277298 /nfs/dbraw/zinc/27/72/98/1287277298.db2.gz ZJKKESKYUKXIET-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CNC(=O)NC(=O)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713432269 1287277307 /nfs/dbraw/zinc/27/73/07/1287277307.db2.gz ZJKKESKYUKXIET-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CNC(=O)NC(=O)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713432269 1287277315 /nfs/dbraw/zinc/27/73/15/1287277315.db2.gz ZJKKESKYUKXIET-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713752189 1287296407 /nfs/dbraw/zinc/29/64/07/1287296407.db2.gz KDKLVUUAVPIMQB-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)N(C)C(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713752189 1287296409 /nfs/dbraw/zinc/29/64/09/1287296409.db2.gz KDKLVUUAVPIMQB-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)N(C)C(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713752189 1287296411 /nfs/dbraw/zinc/29/64/11/1287296411.db2.gz KDKLVUUAVPIMQB-IXDOHACOSA-N 2 1 352.523 0.974 10 0 FCAEMP CCOCCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713752353 1287296497 /nfs/dbraw/zinc/29/64/97/1287296497.db2.gz NJBLQQSVZAFDCU-IXDOHACOSA-N 2 1 368.522 0.260 10 0 FCAEMP CCOCCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713752353 1287296498 /nfs/dbraw/zinc/29/64/98/1287296498.db2.gz NJBLQQSVZAFDCU-IXDOHACOSA-N 2 1 368.522 0.260 10 0 FCAEMP CCOCCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713752353 1287296499 /nfs/dbraw/zinc/29/64/99/1287296499.db2.gz NJBLQQSVZAFDCU-IXDOHACOSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C(C)(C)C)CC[N@@H+]1C ZINC001714234105 1287316215 /nfs/dbraw/zinc/31/62/15/1287316215.db2.gz GIQSPIBPBFCKGD-HZSPNIEDSA-N 2 1 351.499 0.753 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C(C)(C)C)CC[N@H+]1C ZINC001714234105 1287316220 /nfs/dbraw/zinc/31/62/20/1287316220.db2.gz GIQSPIBPBFCKGD-HZSPNIEDSA-N 2 1 351.499 0.753 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001580890653 1279096837 /nfs/dbraw/zinc/09/68/37/1279096837.db2.gz SXUMJYQHIRXRGQ-GOEBONIOSA-N 2 1 365.478 0.655 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001580890653 1279096844 /nfs/dbraw/zinc/09/68/44/1279096844.db2.gz SXUMJYQHIRXRGQ-GOEBONIOSA-N 2 1 365.478 0.655 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001714706697 1287332211 /nfs/dbraw/zinc/33/22/11/1287332211.db2.gz MEGSDQJVHMKUBH-SOUVJXGZSA-N 2 1 369.510 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001714707823 1287332400 /nfs/dbraw/zinc/33/24/00/1287332400.db2.gz RWMZHBDEEMAGFA-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)Nc1ccon1 ZINC001715059871 1287342564 /nfs/dbraw/zinc/34/25/64/1287342564.db2.gz SWZTZZLRURMOOI-MELADBBJSA-N 2 1 351.451 0.828 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001715817008 1287361982 /nfs/dbraw/zinc/36/19/82/1287361982.db2.gz KBVTZPOJHPAVGD-AXLMZEGOSA-N 2 1 350.507 0.895 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001716029443 1287367991 /nfs/dbraw/zinc/36/79/91/1287367991.db2.gz MZZAHQFJDSPYPQ-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001716029443 1287367993 /nfs/dbraw/zinc/36/79/93/1287367993.db2.gz MZZAHQFJDSPYPQ-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN2C(=O)CNC2=O)CC[NH+]1C ZINC001716029443 1287367999 /nfs/dbraw/zinc/36/79/99/1287367999.db2.gz MZZAHQFJDSPYPQ-SOUVJXGZSA-N 2 1 367.494 0.095 10 0 FCAEMP C[C@H](C[N@H+](C)CC(=O)NCc1cccnc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716031939 1287368573 /nfs/dbraw/zinc/36/85/73/1287368573.db2.gz ULQZKHFQESOYOK-BFYDXBDKSA-N 2 1 361.490 0.475 10 0 FCAEMP C[C@H](C[N@@H+](C)CC(=O)NCc1cccnc1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716031939 1287368578 /nfs/dbraw/zinc/36/85/78/1287368578.db2.gz ULQZKHFQESOYOK-BFYDXBDKSA-N 2 1 361.490 0.475 10 0 FCAEMP C[C@H](C[NH+](C)CC(=O)NCc1cccnc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716031939 1287368581 /nfs/dbraw/zinc/36/85/81/1287368581.db2.gz ULQZKHFQESOYOK-BFYDXBDKSA-N 2 1 361.490 0.475 10 0 FCAEMP C[C@H](C[NH+](C)CC(=O)NCc1cccnc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716031939 1287368587 /nfs/dbraw/zinc/36/85/87/1287368587.db2.gz ULQZKHFQESOYOK-BFYDXBDKSA-N 2 1 361.490 0.475 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716032674 1287368754 /nfs/dbraw/zinc/36/87/54/1287368754.db2.gz YSNCWXGNTHMZLJ-RRFJBIMHSA-N 2 1 369.510 0.245 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716032674 1287368755 /nfs/dbraw/zinc/36/87/55/1287368755.db2.gz YSNCWXGNTHMZLJ-RRFJBIMHSA-N 2 1 369.510 0.245 10 0 FCAEMP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716032674 1287368757 /nfs/dbraw/zinc/36/87/57/1287368757.db2.gz YSNCWXGNTHMZLJ-RRFJBIMHSA-N 2 1 369.510 0.245 10 0 FCAEMP 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/nfs/dbraw/zinc/26/58/90/859265890.db2.gz JFVDMIYIESUDEE-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094370 859308386 /nfs/dbraw/zinc/30/83/86/859308386.db2.gz FUPZZIUTULRGEG-SJORKVTESA-N 2 1 353.507 0.772 10 0 FCAEMP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001264094450 859308471 /nfs/dbraw/zinc/30/84/71/859308471.db2.gz IVAKQFDEXWEGGD-IKGGRYGDSA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001264094450 859308480 /nfs/dbraw/zinc/30/84/80/859308480.db2.gz IVAKQFDEXWEGGD-IKGGRYGDSA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001264094450 859308486 /nfs/dbraw/zinc/30/84/86/859308486.db2.gz IVAKQFDEXWEGGD-IKGGRYGDSA-N 2 1 350.507 0.776 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264169878 859339304 /nfs/dbraw/zinc/33/93/04/859339304.db2.gz ZFVAHBRUHBTAFK-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264169878 859339310 /nfs/dbraw/zinc/33/93/10/859339310.db2.gz ZFVAHBRUHBTAFK-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264169878 859339320 /nfs/dbraw/zinc/33/93/20/859339320.db2.gz ZFVAHBRUHBTAFK-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)[C@@H]1C ZINC001264169878 859339327 /nfs/dbraw/zinc/33/93/27/859339327.db2.gz ZFVAHBRUHBTAFK-KGLIPLIRSA-N 2 1 355.483 0.143 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001264539009 859379408 /nfs/dbraw/zinc/37/94/08/859379408.db2.gz SMEFALCNKRNBPQ-HZPDHXFCSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001264545777 859381700 /nfs/dbraw/zinc/38/17/00/859381700.db2.gz ZVYSDKSESMGIEN-PVAVHDDUSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001264618443 859402028 /nfs/dbraw/zinc/40/20/28/859402028.db2.gz GAUOUWDNEVKRJE-HYVNUMGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001264618443 859402029 /nfs/dbraw/zinc/40/20/29/859402029.db2.gz GAUOUWDNEVKRJE-HYVNUMGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCNC(=O)C1CC1 ZINC001264618443 859402030 /nfs/dbraw/zinc/40/20/30/859402030.db2.gz GAUOUWDNEVKRJE-HYVNUMGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1C[C@@H](O)COC ZINC001264620198 859403574 /nfs/dbraw/zinc/40/35/74/859403574.db2.gz XWXVXLJVXFFZOL-OWCLPIDISA-N 2 1 352.479 0.983 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1C[C@@H](O)COC ZINC001264620198 859403583 /nfs/dbraw/zinc/40/35/83/859403583.db2.gz XWXVXLJVXFFZOL-OWCLPIDISA-N 2 1 352.479 0.983 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CCOCCO ZINC001264719416 859437402 /nfs/dbraw/zinc/43/74/02/859437402.db2.gz XPYDTYBWYDEWEI-RVKKMQEKSA-N 2 1 359.486 0.787 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CCOCCO ZINC001264719416 859437408 /nfs/dbraw/zinc/43/74/08/859437408.db2.gz XPYDTYBWYDEWEI-RVKKMQEKSA-N 2 1 359.486 0.787 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CCOCCO ZINC001264719416 859437415 /nfs/dbraw/zinc/43/74/15/859437415.db2.gz XPYDTYBWYDEWEI-RVKKMQEKSA-N 2 1 359.486 0.787 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001265584818 859463347 /nfs/dbraw/zinc/46/33/47/859463347.db2.gz VLZDSHPPLAZORC-DJIMGWMZSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)CC[NH+]1C ZINC001265584818 859463356 /nfs/dbraw/zinc/46/33/56/859463356.db2.gz VLZDSHPPLAZORC-DJIMGWMZSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)CC[NH+]1C ZINC001265584818 859463362 /nfs/dbraw/zinc/46/33/62/859463362.db2.gz VLZDSHPPLAZORC-DJIMGWMZSA-N 2 1 350.507 0.681 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO[C@H]4CCOC4)C[C@H]32)CC[N@H+]1C ZINC001265715984 859464683 /nfs/dbraw/zinc/46/46/83/859464683.db2.gz QATAKEPODAKNBS-SUMCQTLJSA-N 2 1 351.491 0.569 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)CC[NH+]1C ZINC001265715984 859464687 /nfs/dbraw/zinc/46/46/87/859464687.db2.gz QATAKEPODAKNBS-SUMCQTLJSA-N 2 1 351.491 0.569 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO[C@H]4CCOC4)C[C@H]32)CC[NH+]1C ZINC001265715984 859464696 /nfs/dbraw/zinc/46/46/96/859464696.db2.gz QATAKEPODAKNBS-SUMCQTLJSA-N 2 1 351.491 0.569 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001266939945 859493736 /nfs/dbraw/zinc/49/37/36/859493736.db2.gz RLPHSJFFIWUCFB-IIAWOOMASA-N 2 1 350.463 0.673 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCCS(C)(=O)=O)CCCC2)CC[N@H+]1C ZINC001267837648 859518844 /nfs/dbraw/zinc/51/88/44/859518844.db2.gz RONIAYPYXRAVAF-HUUCEWRRSA-N 2 1 359.536 0.780 10 0 FCAEMP CCCCn1nnnc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270966503 859880644 /nfs/dbraw/zinc/88/06/44/859880644.db2.gz CDEZSKODKOVWIS-RRFJBIMHSA-N 2 1 351.499 0.750 10 0 FCAEMP CCCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270966503 859880657 /nfs/dbraw/zinc/88/06/57/859880657.db2.gz CDEZSKODKOVWIS-RRFJBIMHSA-N 2 1 351.499 0.750 10 0 FCAEMP CCCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270966503 859880665 /nfs/dbraw/zinc/88/06/65/859880665.db2.gz CDEZSKODKOVWIS-RRFJBIMHSA-N 2 1 351.499 0.750 10 0 FCAEMP CCc1nocc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145929 859905866 /nfs/dbraw/zinc/90/58/66/859905866.db2.gz QKBVMQVLADLQPR-DDUZABMNSA-N 2 1 350.463 0.630 10 0 FCAEMP CCc1nocc1C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271145929 859905874 /nfs/dbraw/zinc/90/58/74/859905874.db2.gz QKBVMQVLADLQPR-DDUZABMNSA-N 2 1 350.463 0.630 10 0 FCAEMP CCc1nocc1C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271145929 859905881 /nfs/dbraw/zinc/90/58/81/859905881.db2.gz QKBVMQVLADLQPR-DDUZABMNSA-N 2 1 350.463 0.630 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001282134481 864074864 /nfs/dbraw/zinc/07/48/64/864074864.db2.gz ZUPHMLMAJYVCMC-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CCC1 ZINC001282134481 864074876 /nfs/dbraw/zinc/07/48/76/864074876.db2.gz ZUPHMLMAJYVCMC-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C1CCC1 ZINC001282134481 864074890 /nfs/dbraw/zinc/07/48/90/864074890.db2.gz ZUPHMLMAJYVCMC-ZMSDIMECSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001282296917 864173972 /nfs/dbraw/zinc/17/39/72/864173972.db2.gz QBBDLRMREUCPCZ-ZACQAIPSSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001282366196 864225210 /nfs/dbraw/zinc/22/52/10/864225210.db2.gz HLSJIEXCHWXQAX-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001282366196 864225218 /nfs/dbraw/zinc/22/52/18/864225218.db2.gz HLSJIEXCHWXQAX-CVEARBPZSA-N 2 1 354.495 0.156 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001282443462 864262360 /nfs/dbraw/zinc/26/23/60/864262360.db2.gz QVTBHTGVQADBCQ-FRQCXROJSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001282443462 864262374 /nfs/dbraw/zinc/26/23/74/864262374.db2.gz QVTBHTGVQADBCQ-FRQCXROJSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001282443462 864262386 /nfs/dbraw/zinc/26/23/86/864262386.db2.gz QVTBHTGVQADBCQ-FRQCXROJSA-N 2 1 350.507 0.728 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001282452661 864268476 /nfs/dbraw/zinc/26/84/76/864268476.db2.gz WMGIFARDVGMRQN-QFBILLFUSA-N 2 1 352.523 0.977 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001283345474 864493461 /nfs/dbraw/zinc/49/34/61/864493461.db2.gz LCICLFRKOFIIIN-HYVNUMGLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001283345474 864493463 /nfs/dbraw/zinc/49/34/63/864493463.db2.gz LCICLFRKOFIIIN-HYVNUMGLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001283345474 864493468 /nfs/dbraw/zinc/49/34/68/864493468.db2.gz LCICLFRKOFIIIN-HYVNUMGLSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@H+]1C ZINC001284532761 864573831 /nfs/dbraw/zinc/57/38/31/864573831.db2.gz SZQPCZRONZPDNW-FCEWJHQRSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+]1C ZINC001284532761 864573847 /nfs/dbraw/zinc/57/38/47/864573847.db2.gz SZQPCZRONZPDNW-FCEWJHQRSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+]1C ZINC001284532761 864573866 /nfs/dbraw/zinc/57/38/66/864573866.db2.gz SZQPCZRONZPDNW-FCEWJHQRSA-N 2 1 350.507 0.777 10 0 FCAEMP Cc1nnc([C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001284868677 864600649 /nfs/dbraw/zinc/60/06/49/864600649.db2.gz CPZJCNYBXDMERE-UMVBOHGHSA-N 2 1 352.483 0.579 10 0 FCAEMP Cc1nnc([C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001284868677 864600652 /nfs/dbraw/zinc/60/06/52/864600652.db2.gz CPZJCNYBXDMERE-UMVBOHGHSA-N 2 1 352.483 0.579 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)C[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001286195734 864681992 /nfs/dbraw/zinc/68/19/92/864681992.db2.gz MDWCZXCFMXRRIW-HYVNUMGLSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001288951558 864823094 /nfs/dbraw/zinc/82/30/94/864823094.db2.gz XNUNCNBPWDBTEQ-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001289804142 865283060 /nfs/dbraw/zinc/28/30/60/865283060.db2.gz QDBYYMGYQAMUJC-QBPKDAKJSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001290520412 865440418 /nfs/dbraw/zinc/44/04/18/865440418.db2.gz XYGVSJUPMIXWGV-SJORKVTESA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001290520412 865440426 /nfs/dbraw/zinc/44/04/26/865440426.db2.gz XYGVSJUPMIXWGV-SJORKVTESA-N 2 1 352.523 0.974 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001290520412 865440434 /nfs/dbraw/zinc/44/04/34/865440434.db2.gz XYGVSJUPMIXWGV-SJORKVTESA-N 2 1 352.523 0.974 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001290927734 865559062 /nfs/dbraw/zinc/55/90/62/865559062.db2.gz SCQWXBRHUOREOM-BZUAXINKSA-N 2 1 350.507 0.633 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001294464615 865835623 /nfs/dbraw/zinc/83/56/23/865835623.db2.gz WBRVJWNRAJVUOR-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001294464615 865835636 /nfs/dbraw/zinc/83/56/36/865835636.db2.gz WBRVJWNRAJVUOR-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001294464615 865835648 /nfs/dbraw/zinc/83/56/48/865835648.db2.gz WBRVJWNRAJVUOR-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCN(CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001294464615 865835662 /nfs/dbraw/zinc/83/56/62/865835662.db2.gz WBRVJWNRAJVUOR-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP COCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001294667458 865847825 /nfs/dbraw/zinc/84/78/25/865847825.db2.gz BKTXBXDTRGDXSI-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP COCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001294667458 865847836 /nfs/dbraw/zinc/84/78/36/865847836.db2.gz BKTXBXDTRGDXSI-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC001297609137 866045185 /nfs/dbraw/zinc/04/51/85/866045185.db2.gz GHRHWEABWIOINA-WBVHZDCISA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC(=O)NCC[NH+]3CCCCC3)C[N@H+]2C1 ZINC001349919211 866479321 /nfs/dbraw/zinc/47/93/21/866479321.db2.gz HXMFUCPBSPQIHW-IXDOHACOSA-N 2 1 350.507 0.825 10 0 FCAEMP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)CS(C)(=O)=O ZINC001316757079 867456792 /nfs/dbraw/zinc/45/67/92/867456792.db2.gz NUTJKLGPZJBSMM-XHSDSOJGSA-N 2 1 359.536 0.399 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001316790749 867487627 /nfs/dbraw/zinc/48/76/27/867487627.db2.gz LKJYIZLTFRSIBC-PMPSAXMXSA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001316790749 867487637 /nfs/dbraw/zinc/48/76/37/867487637.db2.gz LKJYIZLTFRSIBC-PMPSAXMXSA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001316791182 867489348 /nfs/dbraw/zinc/48/93/48/867489348.db2.gz CQDBCJAXPBBSJF-OLZOCXBDSA-N 2 1 355.483 0.141 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001316791182 867489361 /nfs/dbraw/zinc/48/93/61/867489361.db2.gz CQDBCJAXPBBSJF-OLZOCXBDSA-N 2 1 355.483 0.141 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCNC(=O)C(F)(F)F)[C@@H]1C ZINC001316793839 867493089 /nfs/dbraw/zinc/49/30/89/867493089.db2.gz BJJAUKUWZXRSOM-OLZOCXBDSA-N 2 1 366.428 0.976 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCNC(=O)C(F)(F)F)[C@@H]1C ZINC001316793839 867493096 /nfs/dbraw/zinc/49/30/96/867493096.db2.gz BJJAUKUWZXRSOM-OLZOCXBDSA-N 2 1 366.428 0.976 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@@H]1C ZINC001316793839 867493104 /nfs/dbraw/zinc/49/31/04/867493104.db2.gz BJJAUKUWZXRSOM-OLZOCXBDSA-N 2 1 366.428 0.976 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001317819163 867562110 /nfs/dbraw/zinc/56/21/10/867562110.db2.gz SBEKHAAPBGXRGF-FGTMMUONSA-N 2 1 352.523 0.439 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC001354459353 867608840 /nfs/dbraw/zinc/60/88/40/867608840.db2.gz FCDKHTQDZTZPEL-QFBILLFUSA-N 2 1 350.507 0.635 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(OC)ns2)CC[N@H+]1C ZINC001320234861 868117157 /nfs/dbraw/zinc/11/71/57/868117157.db2.gz XIWMNJOXHYTQIM-FPMFFAJLSA-N 2 1 356.492 0.449 10 0 FCAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001322103043 868735368 /nfs/dbraw/zinc/73/53/68/868735368.db2.gz HJCMADJSKIBSEH-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001322158740 868748618 /nfs/dbraw/zinc/74/86/18/868748618.db2.gz CKLYMEXLLSVIPR-SOUVJXGZSA-N 2 1 352.479 0.302 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001322158740 868748623 /nfs/dbraw/zinc/74/86/23/868748623.db2.gz CKLYMEXLLSVIPR-SOUVJXGZSA-N 2 1 352.479 0.302 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001322158740 868748628 /nfs/dbraw/zinc/74/86/28/868748628.db2.gz CKLYMEXLLSVIPR-SOUVJXGZSA-N 2 1 352.479 0.302 10 0 FCAEMP COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001322654286 868897631 /nfs/dbraw/zinc/89/76/31/868897631.db2.gz PCCLRRRSOBWZJV-ARFHVFGLSA-N 2 1 355.479 0.391 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3(CS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001323445681 869195435 /nfs/dbraw/zinc/19/54/35/869195435.db2.gz ZTAZRLMCZGHYSX-LSDHHAIUSA-N 2 1 371.547 0.780 10 0 FCAEMP CCc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001326020622 870143038 /nfs/dbraw/zinc/14/30/38/870143038.db2.gz AHDFBOTVESHJNW-BFHYXJOUSA-N 2 1 352.483 0.179 10 0 FCAEMP CCc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001326020622 870143042 /nfs/dbraw/zinc/14/30/42/870143042.db2.gz AHDFBOTVESHJNW-BFHYXJOUSA-N 2 1 352.483 0.179 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001344276287 870798080 /nfs/dbraw/zinc/79/80/80/870798080.db2.gz QSPCVUFQIGHWMH-GVDBMIGSSA-N 2 1 350.507 0.968 10 0 FCAEMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001344311787 870820825 /nfs/dbraw/zinc/82/08/25/870820825.db2.gz LBSOBHTVUNDLDY-XHSDSOJGSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001327505545 870914346 /nfs/dbraw/zinc/91/43/46/870914346.db2.gz SUHBRMRVVHRXIB-DAXOMENPSA-N 2 1 350.438 0.801 10 0 FCAEMP C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001327505545 870914361 /nfs/dbraw/zinc/91/43/61/870914361.db2.gz SUHBRMRVVHRXIB-DAXOMENPSA-N 2 1 350.438 0.801 10 0 FCAEMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001345154695 871209143 /nfs/dbraw/zinc/20/91/43/871209143.db2.gz KCWCCKLBJACEHU-CVEARBPZSA-N 2 1 350.438 0.803 10 0 FCAEMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001345154695 871209160 /nfs/dbraw/zinc/20/91/60/871209160.db2.gz KCWCCKLBJACEHU-CVEARBPZSA-N 2 1 350.438 0.803 10 0 FCAEMP COc1coc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001328344045 871376946 /nfs/dbraw/zinc/37/69/46/871376946.db2.gz UJZKPYIUZRPIKH-GZBFAFLISA-N 2 1 351.447 0.973 10 0 FCAEMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001328489559 871459645 /nfs/dbraw/zinc/45/96/45/871459645.db2.gz CDDLKCIJSHXBII-ZDUSSCGKSA-N 2 1 364.412 0.541 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001345877714 871542290 /nfs/dbraw/zinc/54/22/90/871542290.db2.gz NCSJAUXRHMRSMI-QFBILLFUSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001346101678 871646993 /nfs/dbraw/zinc/64/69/93/871646993.db2.gz PVLFTRCFWGARQW-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001346101678 871647003 /nfs/dbraw/zinc/64/70/03/871647003.db2.gz PVLFTRCFWGARQW-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP 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CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC001331979888 873322130 /nfs/dbraw/zinc/32/21/30/873322130.db2.gz DNUFVZKCEVGVJJ-RWMBFGLXSA-N 2 1 364.412 0.523 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001331979888 873322140 /nfs/dbraw/zinc/32/21/40/873322140.db2.gz DNUFVZKCEVGVJJ-RWMBFGLXSA-N 2 1 364.412 0.523 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001331979886 873322457 /nfs/dbraw/zinc/32/24/57/873322457.db2.gz DNUFVZKCEVGVJJ-JHJVBQTASA-N 2 1 364.412 0.523 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC001331979886 873322473 /nfs/dbraw/zinc/32/24/73/873322473.db2.gz DNUFVZKCEVGVJJ-JHJVBQTASA-N 2 1 364.412 0.523 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332572644 873562688 /nfs/dbraw/zinc/56/26/88/873562688.db2.gz NLXJOPIZRMRYOB-AWEZNQCLSA-N 2 1 350.467 0.183 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)Cc2cc(C)on2)CC[N@H+]1C ZINC001332630522 873588838 /nfs/dbraw/zinc/58/88/38/873588838.db2.gz ASUAGVZPGZOFNC-IXDOHACOSA-N 2 1 352.479 0.964 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCc2ccns2)CC[N@H+]1C ZINC001332634588 873591822 /nfs/dbraw/zinc/59/18/22/873591822.db2.gz ZMBUUMHCDQMOPF-IIAWOOMASA-N 2 1 354.520 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCc2ccns2)CC[NH+]1C ZINC001332634588 873591824 /nfs/dbraw/zinc/59/18/24/873591824.db2.gz ZMBUUMHCDQMOPF-IIAWOOMASA-N 2 1 354.520 0.777 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCc2ccns2)CC[NH+]1C ZINC001332634588 873591828 /nfs/dbraw/zinc/59/18/28/873591828.db2.gz ZMBUUMHCDQMOPF-IIAWOOMASA-N 2 1 354.520 0.777 10 0 FCAEMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001332966448 873738152 /nfs/dbraw/zinc/73/81/52/873738152.db2.gz LLKACORTOYDQLM-HOTGVXAUSA-N 2 1 351.499 0.704 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C[N@@H+]1C1CC1 ZINC000930480097 674030735 /nfs/dbraw/zinc/03/07/35/674030735.db2.gz OUDGOLXWBBSULO-VRKREXBASA-N 2 1 366.531 0.424 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C[N@H+]1C1CC1 ZINC000930480097 674030737 /nfs/dbraw/zinc/03/07/37/674030737.db2.gz OUDGOLXWBBSULO-VRKREXBASA-N 2 1 366.531 0.424 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C[NH+]1C1CC1 ZINC000930480097 674030739 /nfs/dbraw/zinc/03/07/39/674030739.db2.gz OUDGOLXWBBSULO-VRKREXBASA-N 2 1 366.531 0.424 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C[NH+]1C1CC1 ZINC000930480097 674030741 /nfs/dbraw/zinc/03/07/41/674030741.db2.gz OUDGOLXWBBSULO-VRKREXBASA-N 2 1 366.531 0.424 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=CC[NH+](C)CC1 ZINC000930652393 674046602 /nfs/dbraw/zinc/04/66/02/674046602.db2.gz JVJLIRLPCZAIEJ-BPUTZDHNSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1=CC[NH+](C)CC1 ZINC000930652393 674046606 /nfs/dbraw/zinc/04/66/06/674046606.db2.gz JVJLIRLPCZAIEJ-BPUTZDHNSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000930652393 674046613 /nfs/dbraw/zinc/04/66/13/674046613.db2.gz JVJLIRLPCZAIEJ-BPUTZDHNSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1=CC[N@@H+](C)CC1 ZINC000930652393 674046620 /nfs/dbraw/zinc/04/66/20/674046620.db2.gz JVJLIRLPCZAIEJ-BPUTZDHNSA-N 2 1 366.531 0.449 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+](C)C ZINC000930718985 674050901 /nfs/dbraw/zinc/05/09/01/674050901.db2.gz UESAYQRPNGDYFE-JKSUJKDBSA-N 2 1 354.495 0.202 10 0 FCAEMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000930829133 674065101 /nfs/dbraw/zinc/06/51/01/674065101.db2.gz PPLTYBNNWNQYSF-OWCLPIDISA-N 2 1 368.547 0.531 10 0 FCAEMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000930829133 674065108 /nfs/dbraw/zinc/06/51/08/674065108.db2.gz PPLTYBNNWNQYSF-OWCLPIDISA-N 2 1 368.547 0.531 10 0 FCAEMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000930829133 674065088 /nfs/dbraw/zinc/06/50/88/674065088.db2.gz PPLTYBNNWNQYSF-OWCLPIDISA-N 2 1 368.547 0.531 10 0 FCAEMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000930829133 674065094 /nfs/dbraw/zinc/06/50/94/674065094.db2.gz PPLTYBNNWNQYSF-OWCLPIDISA-N 2 1 368.547 0.531 10 0 FCAEMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000332794257 215210440 /nfs/dbraw/zinc/21/04/40/215210440.db2.gz DMPGYGQDEXUPEX-DLBZAZTESA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000333733125 215313284 /nfs/dbraw/zinc/31/32/84/215313284.db2.gz WLNVUCFUCWEFTC-YPMHNXCESA-N 2 1 355.380 0.166 10 0 FCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000285034390 213271382 /nfs/dbraw/zinc/27/13/82/213271382.db2.gz HWNDRLMBZGMZDR-QZTJIDSGSA-N 2 1 372.513 0.876 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367850667 216171316 /nfs/dbraw/zinc/17/13/16/216171316.db2.gz RNPUDXIEYDACKL-MJGOQNOKSA-N 2 1 352.523 0.487 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000367850667 216171319 /nfs/dbraw/zinc/17/13/19/216171319.db2.gz RNPUDXIEYDACKL-MJGOQNOKSA-N 2 1 352.523 0.487 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000367850667 216171320 /nfs/dbraw/zinc/17/13/20/216171320.db2.gz RNPUDXIEYDACKL-MJGOQNOKSA-N 2 1 352.523 0.487 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CC(=O)NC)CC2)[C@@H](C)C1 ZINC000246497463 209391102 /nfs/dbraw/zinc/39/11/02/209391102.db2.gz SHYXLLBDVQMIBC-HOCLYGCPSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@@H](C)C1 ZINC000246497463 209391105 /nfs/dbraw/zinc/39/11/05/209391105.db2.gz SHYXLLBDVQMIBC-HOCLYGCPSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@@H](C)C1 ZINC000246497463 209391109 /nfs/dbraw/zinc/39/11/09/209391109.db2.gz SHYXLLBDVQMIBC-HOCLYGCPSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[NH+](CC)C2)CC1=O ZINC000246442058 209388383 /nfs/dbraw/zinc/38/83/83/209388383.db2.gz NXKLPPWFRGAQJU-IXDOHACOSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1=O ZINC000246442058 209388388 /nfs/dbraw/zinc/38/83/88/209388388.db2.gz NXKLPPWFRGAQJU-IXDOHACOSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1=O ZINC000246442058 209388394 /nfs/dbraw/zinc/38/83/94/209388394.db2.gz NXKLPPWFRGAQJU-IXDOHACOSA-N 2 1 350.507 0.920 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246459603 209386998 /nfs/dbraw/zinc/38/69/98/209386998.db2.gz DJIBHXWBVNILKE-HHXXYDBFSA-N 2 1 363.506 0.904 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246236824 209383620 /nfs/dbraw/zinc/38/36/20/209383620.db2.gz UBDFCDONXZPLLQ-ROUUACIJSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246236824 209383622 /nfs/dbraw/zinc/38/36/22/209383622.db2.gz UBDFCDONXZPLLQ-ROUUACIJSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246236824 209383625 /nfs/dbraw/zinc/38/36/25/209383625.db2.gz UBDFCDONXZPLLQ-ROUUACIJSA-N 2 1 352.523 0.630 10 0 FCAEMP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000192818648 209305119 /nfs/dbraw/zinc/30/51/19/209305119.db2.gz QCDFPSZNBNYVRF-QZTJIDSGSA-N 2 1 367.515 0.637 10 0 FCAEMP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000192818648 209305124 /nfs/dbraw/zinc/30/51/24/209305124.db2.gz QCDFPSZNBNYVRF-QZTJIDSGSA-N 2 1 367.515 0.637 10 0 FCAEMP C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N1CCN(C)CC1 ZINC000369108315 216349779 /nfs/dbraw/zinc/34/97/79/216349779.db2.gz CBKXGZHATJKOLX-MSOLQXFVSA-N 2 1 351.539 0.251 10 0 FCAEMP C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000369108315 216349781 /nfs/dbraw/zinc/34/97/81/216349781.db2.gz CBKXGZHATJKOLX-MSOLQXFVSA-N 2 1 351.539 0.251 10 0 FCAEMP C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000369108315 216349783 /nfs/dbraw/zinc/34/97/83/216349783.db2.gz CBKXGZHATJKOLX-MSOLQXFVSA-N 2 1 351.539 0.251 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000931396983 674111832 /nfs/dbraw/zinc/11/18/32/674111832.db2.gz LLNXQZGAGREWRN-RDJZCZTQSA-N 2 1 374.551 0.333 10 0 FCAEMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414926103 245332596 /nfs/dbraw/zinc/33/25/96/245332596.db2.gz JUVCJCJJAJTBPB-KRWDZBQOSA-N 2 1 360.458 0.186 10 0 FCAEMP C[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H]2CCC[C@@H]21 ZINC000375855101 217325364 /nfs/dbraw/zinc/32/53/64/217325364.db2.gz YIQBLWDZSNUCSZ-YVSFHVDLSA-N 2 1 359.536 0.937 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H]2CCC[C@@H]21 ZINC000375855101 217325367 /nfs/dbraw/zinc/32/53/67/217325367.db2.gz YIQBLWDZSNUCSZ-YVSFHVDLSA-N 2 1 359.536 0.937 10 0 FCAEMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419082724 245974212 /nfs/dbraw/zinc/97/42/12/245974212.db2.gz VBYHPCYDGICAPZ-QZTJIDSGSA-N 2 1 373.501 0.935 10 0 FCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419082724 245974214 /nfs/dbraw/zinc/97/42/14/245974214.db2.gz VBYHPCYDGICAPZ-QZTJIDSGSA-N 2 1 373.501 0.935 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419212793 246057771 /nfs/dbraw/zinc/05/77/71/246057771.db2.gz VFTPTWXSAOMYDC-NXHRZFHOSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419228483 246069237 /nfs/dbraw/zinc/06/92/37/246069237.db2.gz GSQFDHQXDNOOFJ-HIFRSBDPSA-N 2 1 364.515 0.869 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419228483 246069247 /nfs/dbraw/zinc/06/92/47/246069247.db2.gz GSQFDHQXDNOOFJ-HIFRSBDPSA-N 2 1 364.515 0.869 10 0 FCAEMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341089 246102815 /nfs/dbraw/zinc/10/28/15/246102815.db2.gz XRHLYZALNVKORS-WMLDXEAASA-N 2 1 359.474 0.276 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419296330 246089798 /nfs/dbraw/zinc/08/97/98/246089798.db2.gz DTQJNOPBBVAJGQ-UHFFFAOYSA-N 2 1 359.474 0.578 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCNC[C@H]2c2cccnc2)C1 ZINC000419409633 246141130 /nfs/dbraw/zinc/14/11/30/246141130.db2.gz NHMPCAYWBANMNU-RDJZCZTQSA-N 2 1 359.474 0.403 10 0 FCAEMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000419409633 246141135 /nfs/dbraw/zinc/14/11/35/246141135.db2.gz NHMPCAYWBANMNU-RDJZCZTQSA-N 2 1 359.474 0.403 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000419409633 246141138 /nfs/dbraw/zinc/14/11/38/246141138.db2.gz NHMPCAYWBANMNU-RDJZCZTQSA-N 2 1 359.474 0.403 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC000419440871 246165519 /nfs/dbraw/zinc/16/55/19/246165519.db2.gz LNEYKTXWGHYBND-HZPDHXFCSA-N 2 1 356.511 0.584 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419547149 246200291 /nfs/dbraw/zinc/20/02/91/246200291.db2.gz QZKVPGOBACNEQH-PBHICJAKSA-N 2 1 362.474 0.550 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419547150 246200415 /nfs/dbraw/zinc/20/04/15/246200415.db2.gz QZKVPGOBACNEQH-RHSMWYFYSA-N 2 1 362.474 0.550 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000419594240 246214833 /nfs/dbraw/zinc/21/48/33/246214833.db2.gz URIQMWDFAYUDKN-RHSMWYFYSA-N 2 1 374.485 0.767 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000419594240 246214838 /nfs/dbraw/zinc/21/48/38/246214838.db2.gz URIQMWDFAYUDKN-RHSMWYFYSA-N 2 1 374.485 0.767 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000419825927 246308499 /nfs/dbraw/zinc/30/84/99/246308499.db2.gz NQJOUQMNCKARSA-NVXWUHKLSA-N 2 1 359.474 0.403 10 0 FCAEMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000419909788 246364533 /nfs/dbraw/zinc/36/45/33/246364533.db2.gz GSZDJMRQUHHFFS-QGZVFWFLSA-N 2 1 360.458 0.126 10 0 FCAEMP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419961350 246391011 /nfs/dbraw/zinc/39/10/11/246391011.db2.gz YPOHTTUDGXVXBN-HNNXBMFYSA-N 2 1 364.515 0.693 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000423548471 247048144 /nfs/dbraw/zinc/04/81/44/247048144.db2.gz DFABBUOBRJUHHW-DOHHPOSVSA-N 2 1 362.518 0.905 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423438076 247028612 /nfs/dbraw/zinc/02/86/12/247028612.db2.gz GRKQRRZOICFHJP-XLIONFOSSA-N 2 1 362.518 0.779 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423451420 247029781 /nfs/dbraw/zinc/02/97/81/247029781.db2.gz UZUHGILZXXNYSN-HOTGVXAUSA-N 2 1 366.506 0.014 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000423463025 247033894 /nfs/dbraw/zinc/03/38/94/247033894.db2.gz AHSJVIXZLURRLN-HDICACEKSA-N 2 1 370.497 0.787 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423639349 247087321 /nfs/dbraw/zinc/08/73/21/247087321.db2.gz JJJUBNNJLRBIIX-MSOLQXFVSA-N 2 1 371.485 0.641 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423639868 247088488 /nfs/dbraw/zinc/08/84/88/247088488.db2.gz JRFYYZPAMUTGGZ-SJLPKXTDSA-N 2 1 371.485 0.499 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931817056 674135967 /nfs/dbraw/zinc/13/59/67/674135967.db2.gz QNOUJKRVPYQVKP-HZPDHXFCSA-N 2 1 370.563 0.729 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931817056 674135968 /nfs/dbraw/zinc/13/59/68/674135968.db2.gz QNOUJKRVPYQVKP-HZPDHXFCSA-N 2 1 370.563 0.729 10 0 FCAEMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@@H]1C ZINC000469844965 250006997 /nfs/dbraw/zinc/00/69/97/250006997.db2.gz XWACQZDSMLPDDQ-BZUAXINKSA-N 2 1 355.479 0.343 10 0 FCAEMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H]1C ZINC000469844965 250007002 /nfs/dbraw/zinc/00/70/02/250007002.db2.gz XWACQZDSMLPDDQ-BZUAXINKSA-N 2 1 355.479 0.343 10 0 FCAEMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H]1C ZINC000469844965 250007006 /nfs/dbraw/zinc/00/70/06/250007006.db2.gz XWACQZDSMLPDDQ-BZUAXINKSA-N 2 1 355.479 0.343 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000469901457 250011686 /nfs/dbraw/zinc/01/16/86/250011686.db2.gz ZPGKDNDTGRDTHE-ZWKOTPCHSA-N 2 1 354.539 0.877 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473880774 250254273 /nfs/dbraw/zinc/25/42/73/250254273.db2.gz BZAAHQNMYOFBCR-MRXNPFEDSA-N 2 1 353.511 0.666 10 0 FCAEMP O=C(CN1CCNC(=O)CC1)Nc1cccc(CN2CCSCC2)c1 ZINC000101546964 208163119 /nfs/dbraw/zinc/16/31/19/208163119.db2.gz IJFSDIPTHIIWGU-UHFFFAOYSA-N 2 1 362.499 0.996 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000111867135 208288490 /nfs/dbraw/zinc/28/84/90/208288490.db2.gz KVLPXUVCRYXJAY-GOSISDBHSA-N 2 1 368.522 0.851 10 0 FCAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000116792800 208332671 /nfs/dbraw/zinc/33/26/71/208332671.db2.gz IBPKQHKYVMWYJU-RBUKOAKNSA-N 2 1 360.502 0.764 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000116783943 208333930 /nfs/dbraw/zinc/33/39/30/208333930.db2.gz WXCJKXZDOGORFO-LJQANCHMSA-N 2 1 360.502 0.593 10 0 FCAEMP C[NH+]1CCC(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000114911990 208318367 /nfs/dbraw/zinc/31/83/67/208318367.db2.gz CVWMQOOUWKDEIU-UHFFFAOYSA-N 2 1 365.522 0.666 10 0 FCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118106760 208348215 /nfs/dbraw/zinc/34/82/15/208348215.db2.gz XBJPJSKKBFPINP-SFHVURJKSA-N 2 1 374.485 0.710 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118106760 208348219 /nfs/dbraw/zinc/34/82/19/208348219.db2.gz XBJPJSKKBFPINP-SFHVURJKSA-N 2 1 374.485 0.710 10 0 FCAEMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000180125339 209090494 /nfs/dbraw/zinc/09/04/94/209090494.db2.gz JBAZGZNSMXTXJY-INIZCTEOSA-N 2 1 374.489 0.785 10 0 FCAEMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000178307227 209048463 /nfs/dbraw/zinc/04/84/63/209048463.db2.gz XAYVEVYBYXFWMY-MRXNPFEDSA-N 2 1 363.462 0.957 10 0 FCAEMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000178307227 209048472 /nfs/dbraw/zinc/04/84/72/209048472.db2.gz XAYVEVYBYXFWMY-MRXNPFEDSA-N 2 1 363.462 0.957 10 0 FCAEMP COC1(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000178891191 209064242 /nfs/dbraw/zinc/06/42/42/209064242.db2.gz GRYFUQWJKHLZAY-UHFFFAOYSA-N 2 1 352.523 0.822 10 0 FCAEMP CN(C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410498364 230103539 /nfs/dbraw/zinc/10/35/39/230103539.db2.gz OANNWVZACZXHIR-FUHWJXTLSA-N 2 1 362.518 0.872 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000473824346 484105753 /nfs/dbraw/zinc/10/57/53/484105753.db2.gz YOHCZMNEJDJOKT-UHFFFAOYSA-N 2 1 365.482 0.073 10 0 FCAEMP O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(=O)N1CC[NH2+]CC1 ZINC000311690621 488895222 /nfs/dbraw/zinc/89/52/22/488895222.db2.gz SFTQFNLVXGKEHZ-KZNAEPCWSA-N 2 1 356.470 0.445 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569778888 491191070 /nfs/dbraw/zinc/19/10/70/491191070.db2.gz TUNLVNPSFXRJOV-MRXNPFEDSA-N 2 1 369.535 0.919 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569778888 491191074 /nfs/dbraw/zinc/19/10/74/491191074.db2.gz TUNLVNPSFXRJOV-MRXNPFEDSA-N 2 1 369.535 0.919 10 0 FCAEMP Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC000562823657 491193472 /nfs/dbraw/zinc/19/34/72/491193472.db2.gz ZDZAJIJNLJITGP-IBGZPJMESA-N 2 1 359.474 0.910 10 0 FCAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000185153061 488399839 /nfs/dbraw/zinc/39/98/39/488399839.db2.gz KPOPLYLNAKAPBU-MOPGFXCFSA-N 2 1 361.486 0.503 10 0 FCAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000185153061 488399840 /nfs/dbraw/zinc/39/98/40/488399840.db2.gz KPOPLYLNAKAPBU-MOPGFXCFSA-N 2 1 361.486 0.503 10 0 FCAEMP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000245979577 488468501 /nfs/dbraw/zinc/46/85/01/488468501.db2.gz GQEVVNAQDZAESS-OWCLPIDISA-N 2 1 354.495 0.994 10 0 FCAEMP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000245979577 488468502 /nfs/dbraw/zinc/46/85/02/488468502.db2.gz GQEVVNAQDZAESS-OWCLPIDISA-N 2 1 354.495 0.994 10 0 FCAEMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000245979577 488468505 /nfs/dbraw/zinc/46/85/05/488468505.db2.gz GQEVVNAQDZAESS-OWCLPIDISA-N 2 1 354.495 0.994 10 0 FCAEMP COC(=O)CC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000245979577 488468506 /nfs/dbraw/zinc/46/85/06/488468506.db2.gz GQEVVNAQDZAESS-OWCLPIDISA-N 2 1 354.495 0.994 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCN1CCOCC1 ZINC000246839227 488476587 /nfs/dbraw/zinc/47/65/87/488476587.db2.gz CWORWQDRGCRKLO-SJLPKXTDSA-N 2 1 361.490 0.923 10 0 FCAEMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCN1CCOCC1 ZINC000246839227 488476588 /nfs/dbraw/zinc/47/65/88/488476588.db2.gz CWORWQDRGCRKLO-SJLPKXTDSA-N 2 1 361.490 0.923 10 0 FCAEMP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CCN1CCOC ZINC000247197854 488482863 /nfs/dbraw/zinc/48/28/63/488482863.db2.gz SVLKQWBUMWMKOF-BRWVUGGUSA-N 2 1 356.511 0.848 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248619116 488499833 /nfs/dbraw/zinc/49/98/33/488499833.db2.gz MOFWJFUKHNKXII-HOTGVXAUSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000106125542 488511954 /nfs/dbraw/zinc/51/19/54/488511954.db2.gz CDBYAEXSPQNMKI-LLVKDONJSA-N 2 1 368.400 0.399 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000111811686 488531360 /nfs/dbraw/zinc/53/13/60/488531360.db2.gz SOQVWDGVNFUAGK-IAGOWNOFSA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000111811686 488531362 /nfs/dbraw/zinc/53/13/62/488531362.db2.gz SOQVWDGVNFUAGK-IAGOWNOFSA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000111811687 488531594 /nfs/dbraw/zinc/53/15/94/488531594.db2.gz SOQVWDGVNFUAGK-SJORKVTESA-N 2 1 356.511 0.753 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000111811687 488531595 /nfs/dbraw/zinc/53/15/95/488531595.db2.gz SOQVWDGVNFUAGK-SJORKVTESA-N 2 1 356.511 0.753 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261854964 488538525 /nfs/dbraw/zinc/53/85/25/488538525.db2.gz RUSSCLZITKBMTA-GOSISDBHSA-N 2 1 374.485 0.444 10 0 FCAEMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858759 488539110 /nfs/dbraw/zinc/53/91/10/488539110.db2.gz WGGZPGRHLCSAOQ-HPBDAGMYSA-N 2 1 358.486 0.773 10 0 FCAEMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858759 488539112 /nfs/dbraw/zinc/53/91/12/488539112.db2.gz WGGZPGRHLCSAOQ-HPBDAGMYSA-N 2 1 358.486 0.773 10 0 FCAEMP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261865789 488539177 /nfs/dbraw/zinc/53/91/77/488539177.db2.gz CQKWIGAAILWEDZ-BBWFWOEESA-N 2 1 353.488 0.712 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261985923 488544424 /nfs/dbraw/zinc/54/44/24/488544424.db2.gz OMUQIDMOVAKQSO-JKSUJKDBSA-N 2 1 360.458 0.426 10 0 FCAEMP CC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1CCOC ZINC000120950766 488564107 /nfs/dbraw/zinc/56/41/07/488564107.db2.gz OQGNQQJFKVHQIC-SFHVURJKSA-N 2 1 362.522 0.771 10 0 FCAEMP CC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1CCOC ZINC000120950766 488564109 /nfs/dbraw/zinc/56/41/09/488564109.db2.gz OQGNQQJFKVHQIC-SFHVURJKSA-N 2 1 362.522 0.771 10 0 FCAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000263278719 488608995 /nfs/dbraw/zinc/60/89/95/488608995.db2.gz TWVUZBMTVKGHSM-GOEBONIOSA-N 2 1 358.442 0.918 10 0 FCAEMP CC(C)C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NCC[NH+](C)C ZINC000132674222 488654900 /nfs/dbraw/zinc/65/49/00/488654900.db2.gz UTQINLFNNBDVAJ-GJZGRUSLSA-N 2 1 358.552 0.632 10 0 FCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000137208777 488680061 /nfs/dbraw/zinc/68/00/61/488680061.db2.gz UFIAGBKCKFCKRS-HOTGVXAUSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000137208777 488680063 /nfs/dbraw/zinc/68/00/63/488680063.db2.gz UFIAGBKCKFCKRS-HOTGVXAUSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000137208777 488680066 /nfs/dbraw/zinc/68/00/66/488680066.db2.gz UFIAGBKCKFCKRS-HOTGVXAUSA-N 2 1 351.495 0.419 10 0 FCAEMP CC[NH+]1CCC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000153373562 488730074 /nfs/dbraw/zinc/73/00/74/488730074.db2.gz XHSLVTAOOGDNDS-HZPDHXFCSA-N 2 1 370.563 0.921 10 0 FCAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000153575219 488732596 /nfs/dbraw/zinc/73/25/96/488732596.db2.gz DDOWRYCFQHLILR-SJORKVTESA-N 2 1 368.522 0.849 10 0 FCAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000153575219 488732599 /nfs/dbraw/zinc/73/25/99/488732599.db2.gz DDOWRYCFQHLILR-SJORKVTESA-N 2 1 368.522 0.849 10 0 FCAEMP CC(C)c1nnnn1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154223521 488739465 /nfs/dbraw/zinc/73/94/65/488739465.db2.gz ZRCJBRHKGPVRKY-XYPWUTKMSA-N 2 1 361.494 0.566 10 0 FCAEMP CC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000156641030 488766488 /nfs/dbraw/zinc/76/64/88/488766488.db2.gz RHGJGLSHJAEMCG-ROUUACIJSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000156641030 488766489 /nfs/dbraw/zinc/76/64/89/488766489.db2.gz RHGJGLSHJAEMCG-ROUUACIJSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000156641030 488766491 /nfs/dbraw/zinc/76/64/91/488766491.db2.gz RHGJGLSHJAEMCG-ROUUACIJSA-N 2 1 368.522 0.260 10 0 FCAEMP CNC(=O)CN1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000157423968 488771464 /nfs/dbraw/zinc/77/14/64/488771464.db2.gz PRRPDECTDJMTMF-UHFFFAOYSA-N 2 1 353.511 0.761 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000157423968 488771466 /nfs/dbraw/zinc/77/14/66/488771466.db2.gz PRRPDECTDJMTMF-UHFFFAOYSA-N 2 1 353.511 0.761 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000157423968 488771469 /nfs/dbraw/zinc/77/14/69/488771469.db2.gz PRRPDECTDJMTMF-UHFFFAOYSA-N 2 1 353.511 0.761 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000158689063 488779676 /nfs/dbraw/zinc/77/96/76/488779676.db2.gz XSUGHSUKYFXYFS-OALUTQOASA-N 2 1 360.502 0.812 10 0 FCAEMP CCOCC[N@@H+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000168034979 488812530 /nfs/dbraw/zinc/81/25/30/488812530.db2.gz HDPDJCOTYWUURO-AWEZNQCLSA-N 2 1 364.494 0.694 10 0 FCAEMP CCOCC[N@H+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000168034979 488812531 /nfs/dbraw/zinc/81/25/31/488812531.db2.gz HDPDJCOTYWUURO-AWEZNQCLSA-N 2 1 364.494 0.694 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171901260 488828383 /nfs/dbraw/zinc/82/83/83/488828383.db2.gz VVMMNAFWUIJZQS-INIZCTEOSA-N 2 1 351.495 0.467 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171901260 488828385 /nfs/dbraw/zinc/82/83/85/488828385.db2.gz VVMMNAFWUIJZQS-INIZCTEOSA-N 2 1 351.495 0.467 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000173914173 488846342 /nfs/dbraw/zinc/84/63/42/488846342.db2.gz DIOZAFGFRFKGGN-KRWDZBQOSA-N 2 1 363.506 0.633 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175751989 488855531 /nfs/dbraw/zinc/85/55/31/488855531.db2.gz JZRVWDVFMVRHDB-KRWDZBQOSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000179311650 488861070 /nfs/dbraw/zinc/86/10/70/488861070.db2.gz UJBJQEKCYWMRKF-MRXNPFEDSA-N 2 1 355.527 0.375 10 0 FCAEMP COCC[N@H+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000179311650 488861071 /nfs/dbraw/zinc/86/10/71/488861071.db2.gz UJBJQEKCYWMRKF-MRXNPFEDSA-N 2 1 355.527 0.375 10 0 FCAEMP CC[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000182053886 488863981 /nfs/dbraw/zinc/86/39/81/488863981.db2.gz NBARVXORYXBRAZ-SJORKVTESA-N 2 1 369.554 0.499 10 0 FCAEMP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000365111031 489039645 /nfs/dbraw/zinc/03/96/45/489039645.db2.gz OCMKMNFZCAHFFK-IKGGRYGDSA-N 2 1 357.495 0.243 10 0 FCAEMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000365258212 489054393 /nfs/dbraw/zinc/05/43/93/489054393.db2.gz CVQLBLGLQDNAQV-MRXNPFEDSA-N 2 1 367.538 0.912 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365513514 489082596 /nfs/dbraw/zinc/08/25/96/489082596.db2.gz PGFQNKKOBBDJHF-WMZOPIPTSA-N 2 1 368.522 0.992 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365513514 489082598 /nfs/dbraw/zinc/08/25/98/489082598.db2.gz PGFQNKKOBBDJHF-WMZOPIPTSA-N 2 1 368.522 0.992 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365513514 489082601 /nfs/dbraw/zinc/08/26/01/489082601.db2.gz PGFQNKKOBBDJHF-WMZOPIPTSA-N 2 1 368.522 0.992 10 0 FCAEMP COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000366030410 489136554 /nfs/dbraw/zinc/13/65/54/489136554.db2.gz CWOGZHJUBPPLHH-YJBOKZPZSA-N 2 1 355.479 0.344 10 0 FCAEMP COC(=O)[C@@]1(C)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000366030410 489136556 /nfs/dbraw/zinc/13/65/56/489136556.db2.gz CWOGZHJUBPPLHH-YJBOKZPZSA-N 2 1 355.479 0.344 10 0 FCAEMP COC(=O)[C@@]1(C)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000366030410 489136558 /nfs/dbraw/zinc/13/65/58/489136558.db2.gz CWOGZHJUBPPLHH-YJBOKZPZSA-N 2 1 355.479 0.344 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C(=O)N(C)C)CC3)CC2)CC1 ZINC000563406794 491242694 /nfs/dbraw/zinc/24/26/94/491242694.db2.gz LSWKZTRKALRVPR-UHFFFAOYSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363179721 489434320 /nfs/dbraw/zinc/43/43/20/489434320.db2.gz PSADONJKHKDKTM-SJORKVTESA-N 2 1 355.527 0.422 10 0 FCAEMP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000570641198 491255140 /nfs/dbraw/zinc/25/51/40/491255140.db2.gz WOSASEQNYIKXJU-QGZVFWFLSA-N 2 1 366.506 0.348 10 0 FCAEMP CCN(C)C(=O)[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000451313249 489497938 /nfs/dbraw/zinc/49/79/38/489497938.db2.gz MHHBQQAQWJCIAH-WMZOPIPTSA-N 2 1 370.538 0.552 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c2)C[C@H](C)O1 ZINC000415732946 489547953 /nfs/dbraw/zinc/54/79/53/489547953.db2.gz HNKMKMMTJXDZGB-KBPBESRZSA-N 2 1 360.458 0.665 10 0 FCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000555658691 491262783 /nfs/dbraw/zinc/26/27/83/491262783.db2.gz ZNTYVCMQEQLHJX-UHFFFAOYSA-N 2 1 368.522 0.548 10 0 FCAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000563694177 491263833 /nfs/dbraw/zinc/26/38/33/491263833.db2.gz CDULPFFUANYCFA-LPHOPBHVSA-N 2 1 350.507 0.825 10 0 FCAEMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417579270 489658893 /nfs/dbraw/zinc/65/88/93/489658893.db2.gz PHUUCYJTXVNYPU-UHFFFAOYSA-N 2 1 353.511 0.890 10 0 FCAEMP C[C@@H](c1ccccc1)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(N)=O ZINC000428861245 489666729 /nfs/dbraw/zinc/66/67/29/489666729.db2.gz JKDUAHMDZXTIDJ-LIRRHRJNSA-N 2 1 358.486 0.977 10 0 FCAEMP COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000373089485 489667692 /nfs/dbraw/zinc/66/76/92/489667692.db2.gz IKCBTMVUOQEYAU-JKSUJKDBSA-N 2 1 355.479 0.487 10 0 FCAEMP COC(=O)C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000373089485 489667694 /nfs/dbraw/zinc/66/76/94/489667694.db2.gz IKCBTMVUOQEYAU-JKSUJKDBSA-N 2 1 355.479 0.487 10 0 FCAEMP COC(=O)C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000373089485 489667696 /nfs/dbraw/zinc/66/76/96/489667696.db2.gz IKCBTMVUOQEYAU-JKSUJKDBSA-N 2 1 355.479 0.487 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@H+]2C2CC2)c1 ZINC000417985750 489674173 /nfs/dbraw/zinc/67/41/73/489674173.db2.gz HMZNVIWJJDKSRI-MSOLQXFVSA-N 2 1 362.474 0.936 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418007398 489675326 /nfs/dbraw/zinc/67/53/26/489675326.db2.gz CTPCDFQBYHGRMS-AWEZNQCLSA-N 2 1 363.428 0.774 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418598854 489708540 /nfs/dbraw/zinc/70/85/40/489708540.db2.gz QWWAOWXAAOXZJJ-HZPDHXFCSA-N 2 1 353.511 0.570 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418598854 489708545 /nfs/dbraw/zinc/70/85/45/489708545.db2.gz QWWAOWXAAOXZJJ-HZPDHXFCSA-N 2 1 353.511 0.570 10 0 FCAEMP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418666096 489716229 /nfs/dbraw/zinc/71/62/29/489716229.db2.gz CONJYOJFWSTRHF-LXPRWKDFSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418666096 489716232 /nfs/dbraw/zinc/71/62/32/489716232.db2.gz CONJYOJFWSTRHF-LXPRWKDFSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418666096 489716235 /nfs/dbraw/zinc/71/62/35/489716235.db2.gz CONJYOJFWSTRHF-LXPRWKDFSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756648 489723139 /nfs/dbraw/zinc/72/31/39/489723139.db2.gz YLNUANUXBHSDFI-DOTOQJQBSA-N 2 1 368.428 0.920 10 0 FCAEMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418756654 489723177 /nfs/dbraw/zinc/72/31/77/489723177.db2.gz YLNUANUXBHSDFI-WBVHZDCISA-N 2 1 368.428 0.920 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)co1 ZINC000430224757 489725867 /nfs/dbraw/zinc/72/58/67/489725867.db2.gz ZTVPPZQDVJOWRR-OAHLLOKOSA-N 2 1 365.478 0.936 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000418818043 489736326 /nfs/dbraw/zinc/73/63/26/489736326.db2.gz NGJXDTPGKSYAQW-YLJYHZDGSA-N 2 1 374.485 0.262 10 0 FCAEMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418875640 489769787 /nfs/dbraw/zinc/76/97/87/489769787.db2.gz DPQPWQBYDFDYCJ-IAGOWNOFSA-N 2 1 360.458 0.425 10 0 FCAEMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418875640 489769789 /nfs/dbraw/zinc/76/97/89/489769789.db2.gz DPQPWQBYDFDYCJ-IAGOWNOFSA-N 2 1 360.458 0.425 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418960997 489805693 /nfs/dbraw/zinc/80/56/93/489805693.db2.gz JMXPAKIQQMNWGZ-ZOBUZTSGSA-N 2 1 374.485 0.767 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000418960997 489805697 /nfs/dbraw/zinc/80/56/97/489805697.db2.gz JMXPAKIQQMNWGZ-ZOBUZTSGSA-N 2 1 374.485 0.767 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)C1 ZINC000419035159 489827731 /nfs/dbraw/zinc/82/77/31/489827731.db2.gz FLQSPWJTIVKKAJ-VVLHAWIVSA-N 2 1 368.522 0.354 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419043754 489831940 /nfs/dbraw/zinc/83/19/40/489831940.db2.gz ROZJQWNAYFKNAH-DYVFJYSZSA-N 2 1 371.441 0.544 10 0 FCAEMP CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419994801 489875590 /nfs/dbraw/zinc/87/55/90/489875590.db2.gz HMYVHCSEJOHMDS-ZWKOTPCHSA-N 2 1 358.486 0.978 10 0 FCAEMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420125852 489920609 /nfs/dbraw/zinc/92/06/09/489920609.db2.gz PXWDIUSPPCLCKH-DLBZAZTESA-N 2 1 367.538 0.249 10 0 FCAEMP CN(C(=O)C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420141068 489927287 /nfs/dbraw/zinc/92/72/87/489927287.db2.gz RFDWSSCSKYZZSE-GOSISDBHSA-N 2 1 356.470 0.755 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420202227 489950191 /nfs/dbraw/zinc/95/01/91/489950191.db2.gz OUSRFTPWODTYKN-XQYHGENGSA-N 2 1 362.518 0.857 10 0 FCAEMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000477633960 489980365 /nfs/dbraw/zinc/98/03/65/489980365.db2.gz DZKIYZYVSGQXRX-MSOLQXFVSA-N 2 1 366.554 0.044 10 0 FCAEMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000477633960 489980370 /nfs/dbraw/zinc/98/03/70/489980370.db2.gz DZKIYZYVSGQXRX-MSOLQXFVSA-N 2 1 366.554 0.044 10 0 FCAEMP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000477633960 489980373 /nfs/dbraw/zinc/98/03/73/489980373.db2.gz DZKIYZYVSGQXRX-MSOLQXFVSA-N 2 1 366.554 0.044 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005183 /nfs/dbraw/zinc/00/51/83/490005183.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 1 363.449 0.409 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224676 490005187 /nfs/dbraw/zinc/00/51/87/490005187.db2.gz FSYJXRRRKXTJKK-LSDHHAIUSA-N 2 1 363.449 0.409 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1=O ZINC000464921722 490073149 /nfs/dbraw/zinc/07/31/49/490073149.db2.gz OHQNEZDUWIECQH-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556172188 491300603 /nfs/dbraw/zinc/30/06/03/491300603.db2.gz VLLWCQHNOOABIG-INIZCTEOSA-N 2 1 368.522 0.452 10 0 FCAEMP C[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000382793918 490127860 /nfs/dbraw/zinc/12/78/60/490127860.db2.gz SIRHMJJCVDVDQA-WMZOPIPTSA-N 2 1 367.515 0.901 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556202545 491303045 /nfs/dbraw/zinc/30/30/45/491303045.db2.gz OOKYMYIKVCNERM-RVKKMQEKSA-N 2 1 370.563 0.919 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465946952 490155577 /nfs/dbraw/zinc/15/55/77/490155577.db2.gz HCDGOMCDUJDKBI-QGZVFWFLSA-N 2 1 367.538 0.995 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)N2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000397871430 490167580 /nfs/dbraw/zinc/16/75/80/490167580.db2.gz ICUCPTLRUOYZCN-HXUWFJFHSA-N 2 1 358.486 0.979 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000520783617 490189829 /nfs/dbraw/zinc/18/98/29/490189829.db2.gz JZTUKYCMMSGIIX-HZPDHXFCSA-N 2 1 353.511 0.713 10 0 FCAEMP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000408071291 490238190 /nfs/dbraw/zinc/23/81/90/490238190.db2.gz MXDCEDCUHAOQEH-IRXDYDNUSA-N 2 1 365.522 0.665 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CCC2)[C@H](C)CO)C1 ZINC000483141868 490284125 /nfs/dbraw/zinc/28/41/25/490284125.db2.gz IJHJKARYADULKB-AEFFLSMTSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CC2CCC2)[C@H](C)CO)C1 ZINC000483141868 490284133 /nfs/dbraw/zinc/28/41/33/490284133.db2.gz IJHJKARYADULKB-AEFFLSMTSA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)C1 ZINC000483141868 490284142 /nfs/dbraw/zinc/28/41/42/490284142.db2.gz IJHJKARYADULKB-AEFFLSMTSA-N 2 1 355.523 0.942 10 0 FCAEMP C[NH+](C)CCCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498364040 490288643 /nfs/dbraw/zinc/28/86/43/490288643.db2.gz BBYISNKPQRFVBO-INIZCTEOSA-N 2 1 354.495 0.158 10 0 FCAEMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000483197602 490293098 /nfs/dbraw/zinc/29/30/98/490293098.db2.gz PHZYIZOJPDLBDS-HNNXBMFYSA-N 2 1 351.447 0.769 10 0 FCAEMP CCOC(=O)C1(COC)CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000483222071 490294748 /nfs/dbraw/zinc/29/47/48/490294748.db2.gz BHHVRTOCESYRBI-UHFFFAOYSA-N 2 1 369.506 0.879 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1=O ZINC000498480874 490300695 /nfs/dbraw/zinc/30/06/95/490300695.db2.gz BDPZRURKOYOHMB-RCCFBDPRSA-N 2 1 362.518 0.872 10 0 FCAEMP CCC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000521881338 490306350 /nfs/dbraw/zinc/30/63/50/490306350.db2.gz ZZSIPKYNPLKFPZ-HZPDHXFCSA-N 2 1 364.494 0.776 10 0 FCAEMP CCC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000521881338 490306352 /nfs/dbraw/zinc/30/63/52/490306352.db2.gz ZZSIPKYNPLKFPZ-HZPDHXFCSA-N 2 1 364.494 0.776 10 0 FCAEMP CCC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@@H+]1CCOC ZINC000521881336 490306670 /nfs/dbraw/zinc/30/66/70/490306670.db2.gz ZZSIPKYNPLKFPZ-CVEARBPZSA-N 2 1 364.494 0.776 10 0 FCAEMP CCC[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+]1CCOC ZINC000521881336 490306676 /nfs/dbraw/zinc/30/66/76/490306676.db2.gz ZZSIPKYNPLKFPZ-CVEARBPZSA-N 2 1 364.494 0.776 10 0 FCAEMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422470199 490338714 /nfs/dbraw/zinc/33/87/14/490338714.db2.gz FVIZRMMNRROERC-WBVHZDCISA-N 2 1 355.442 0.893 10 0 FCAEMP CCCNC(=O)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000522078244 490339277 /nfs/dbraw/zinc/33/92/77/490339277.db2.gz SNTRGJJCYUPDFD-KRWDZBQOSA-N 2 1 365.522 0.855 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000522078244 490339282 /nfs/dbraw/zinc/33/92/82/490339282.db2.gz SNTRGJJCYUPDFD-KRWDZBQOSA-N 2 1 365.522 0.855 10 0 FCAEMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000498882777 490361233 /nfs/dbraw/zinc/36/12/33/490361233.db2.gz ZBJNPIPWSLSAAL-MRXNPFEDSA-N 2 1 364.494 0.764 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000468755893 490444611 /nfs/dbraw/zinc/44/46/11/490444611.db2.gz AILFAYSZBSCAON-IAGOWNOFSA-N 2 1 351.495 0.198 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000509723332 490456219 /nfs/dbraw/zinc/45/62/19/490456219.db2.gz FHFZURCICRZOBD-QGZVFWFLSA-N 2 1 368.522 0.548 10 0 FCAEMP C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422911921 490495962 /nfs/dbraw/zinc/49/59/62/490495962.db2.gz UWDRHHQTENLQBT-MOPGFXCFSA-N 2 1 360.502 0.835 10 0 FCAEMP 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ZINC000529721445 490866570 /nfs/dbraw/zinc/86/65/70/490866570.db2.gz WABWAQVUTSIMOT-RDJZCZTQSA-N 2 1 350.507 0.920 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)CC1 ZINC000517234051 490900417 /nfs/dbraw/zinc/90/04/17/490900417.db2.gz PFHXNLMKKJRUMJ-UHFFFAOYSA-N 2 1 360.458 0.320 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(O)(C[NH3+])CC3)cc2F)CC1 ZINC000518532041 490944150 /nfs/dbraw/zinc/94/41/50/490944150.db2.gz QIAMSMBFXUAOED-UHFFFAOYSA-N 2 1 364.465 0.893 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)c2cccnc2)CC1 ZINC000532193282 490989433 /nfs/dbraw/zinc/98/94/33/490989433.db2.gz CAGIKHZRTVDRDK-UHFFFAOYSA-N 2 1 354.414 0.597 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000569720514 491185709 /nfs/dbraw/zinc/18/57/09/491185709.db2.gz QNURXHRCNDYTHM-JYJNAYRXSA-N 2 1 354.495 0.202 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000572649074 491384583 /nfs/dbraw/zinc/38/45/83/491384583.db2.gz 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C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1(C)C ZINC000903775826 675972180 /nfs/dbraw/zinc/97/21/80/675972180.db2.gz HAABBDLTGJHLDQ-QWRGUYRKSA-N 2 1 350.385 0.277 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1(C)C ZINC000903775826 675972181 /nfs/dbraw/zinc/97/21/81/675972181.db2.gz HAABBDLTGJHLDQ-QWRGUYRKSA-N 2 1 350.385 0.277 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903790074 675973892 /nfs/dbraw/zinc/97/38/92/675973892.db2.gz QGZSMEXBZVJXNX-XQQFMLRXSA-N 2 1 364.412 0.667 10 0 FCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903759797 675969367 /nfs/dbraw/zinc/96/93/67/675969367.db2.gz QKITUYFLKXMHAN-UMSGYPCISA-N 2 1 362.396 0.277 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759247 675969389 /nfs/dbraw/zinc/96/93/89/675969389.db2.gz NGSNVMPGTZAREL-VXGBXAGGSA-N 2 1 350.385 0.277 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cnn1C ZINC000903873196 675979881 /nfs/dbraw/zinc/97/98/81/675979881.db2.gz MJMHZHWRKSLQNR-LSDHHAIUSA-N 2 1 357.524 0.107 10 0 FCAEMP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549855 672136494 /nfs/dbraw/zinc/13/64/94/672136494.db2.gz KCCONWHUHNTOIV-CLWVCHIJSA-N 2 1 352.479 0.937 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920932 675982898 /nfs/dbraw/zinc/98/28/98/675982898.db2.gz YARBLCOOEFFIHI-HIFRSBDPSA-N 3 1 362.444 0.272 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnn1C ZINC000903920934 675982974 /nfs/dbraw/zinc/98/29/74/675982974.db2.gz YARBLCOOEFFIHI-UKRRQHHQSA-N 3 1 362.444 0.272 10 0 FCAEMP C[NH+]1CCN(c2ncc(CN3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cn2)CC1 ZINC000903983023 675985756 /nfs/dbraw/zinc/98/57/56/675985756.db2.gz ASNPVADPRRYPKX-ZIAGYGMSSA-N 2 1 358.412 0.940 10 0 FCAEMP CC(=O)NCC1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000865466341 672243536 /nfs/dbraw/zinc/24/35/36/672243536.db2.gz UGVOYZAWEYWPLG-ACBHZAAOSA-N 2 1 352.523 0.677 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)[C@H](C)C1 ZINC000866524449 672280224 /nfs/dbraw/zinc/28/02/24/672280224.db2.gz KKZROKWLKZFCMA-RYRKJORJSA-N 2 1 355.479 0.934 10 0 FCAEMP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706486 672289997 /nfs/dbraw/zinc/28/99/97/672289997.db2.gz AWKIQYSIPWQIOM-FPCVCCKLSA-N 2 1 350.463 0.500 10 0 FCAEMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706486 672289998 /nfs/dbraw/zinc/28/99/98/672289998.db2.gz AWKIQYSIPWQIOM-FPCVCCKLSA-N 2 1 350.463 0.500 10 0 FCAEMP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000867707127 672357473 /nfs/dbraw/zinc/35/74/73/672357473.db2.gz GKOKPFLAMHCKAA-JKSUJKDBSA-N 2 1 350.507 0.872 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872146429 672594519 /nfs/dbraw/zinc/59/45/19/672594519.db2.gz NIBQCRNMRFOOKF-FXUDXRNXSA-N 2 1 351.447 0.439 10 0 FCAEMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872187117 672597310 /nfs/dbraw/zinc/59/73/10/672597310.db2.gz DBISXERXZDFONE-STQMWFEESA-N 2 1 364.412 0.525 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C[C@@H]1C ZINC000872189901 672598712 /nfs/dbraw/zinc/59/87/12/672598712.db2.gz PBGOBYWXMMVZLU-ZDEQEGDKSA-N 2 1 364.412 0.523 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C[C@@H]1C ZINC000872189901 672598714 /nfs/dbraw/zinc/59/87/14/672598714.db2.gz PBGOBYWXMMVZLU-ZDEQEGDKSA-N 2 1 364.412 0.523 10 0 FCAEMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1C(F)(F)F ZINC000872190592 672599562 /nfs/dbraw/zinc/59/95/62/672599562.db2.gz RLMFVOUQVSVQDT-YPMHNXCESA-N 2 1 362.396 0.279 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)CC[C@H]21 ZINC000872194800 672602895 /nfs/dbraw/zinc/60/28/95/672602895.db2.gz FNVBASUMPBHQAL-MROQNXINSA-N 2 1 362.396 0.135 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCC1(C)C ZINC000872196001 672603728 /nfs/dbraw/zinc/60/37/28/672603728.db2.gz OBTNOWMJTRZTBY-NEPJUHHUSA-N 2 1 364.412 0.525 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927633323 673871604 /nfs/dbraw/zinc/87/16/04/673871604.db2.gz NTSIOWDUYVVGAN-QGZVFWFLSA-N 2 1 355.527 0.422 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@H]1CCCC[NH+]1CCO ZINC000927634665 673871885 /nfs/dbraw/zinc/87/18/85/673871885.db2.gz LCQCKWBYUGBETF-SJORKVTESA-N 2 1 354.495 0.386 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@H]1CCCC[NH+]1CCO ZINC000927634665 673871886 /nfs/dbraw/zinc/87/18/86/673871886.db2.gz LCQCKWBYUGBETF-SJORKVTESA-N 2 1 354.495 0.386 10 0 FCAEMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@]2(C)C1 ZINC000929109077 673938812 /nfs/dbraw/zinc/93/88/12/673938812.db2.gz IMCQCZWZTAIWJE-YJYMSZOUSA-N 2 1 350.507 0.822 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCCC1 ZINC000929163316 673941845 /nfs/dbraw/zinc/94/18/45/673941845.db2.gz CVVSRVAYRHMHHR-LSDHHAIUSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCCC1 ZINC000929163316 673941847 /nfs/dbraw/zinc/94/18/47/673941847.db2.gz CVVSRVAYRHMHHR-LSDHHAIUSA-N 2 1 368.547 0.673 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@@H+]1C ZINC000930143846 674000718 /nfs/dbraw/zinc/00/07/18/674000718.db2.gz AYVPSSFDDPCDCF-APIJFGDWSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@H+]1C ZINC000930143846 674000720 /nfs/dbraw/zinc/00/07/20/674000720.db2.gz AYVPSSFDDPCDCF-APIJFGDWSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC[NH+]1C ZINC000930143846 674000723 /nfs/dbraw/zinc/00/07/23/674000723.db2.gz AYVPSSFDDPCDCF-APIJFGDWSA-N 2 1 354.520 0.281 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC[NH+]1C ZINC000930143846 674000725 /nfs/dbraw/zinc/00/07/25/674000725.db2.gz AYVPSSFDDPCDCF-APIJFGDWSA-N 2 1 354.520 0.281 10 0 FCAEMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[NH+](CCOC)CC2)C1 ZINC000900374975 675676883 /nfs/dbraw/zinc/67/68/83/675676883.db2.gz VRENRKKXGBASIN-INIZCTEOSA-N 2 1 355.479 0.442 10 0 FCAEMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](CCOC)CC2)C1 ZINC000900374975 675676886 /nfs/dbraw/zinc/67/68/86/675676886.db2.gz VRENRKKXGBASIN-INIZCTEOSA-N 2 1 355.479 0.442 10 0 FCAEMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCC[N@H+](CCOC)CC2)C1 ZINC000900374975 675676891 /nfs/dbraw/zinc/67/68/91/675676891.db2.gz VRENRKKXGBASIN-INIZCTEOSA-N 2 1 355.479 0.442 10 0 FCAEMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCC[N@@H+](CCOC)CC2)C1 ZINC000900374975 675676895 /nfs/dbraw/zinc/67/68/95/675676895.db2.gz VRENRKKXGBASIN-INIZCTEOSA-N 2 1 355.479 0.442 10 0 FCAEMP C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)[C@H]1CCS(=O)(=O)C1 ZINC000900980136 675736964 /nfs/dbraw/zinc/73/69/64/675736964.db2.gz HUWJQLJRCBVYPF-ULQDDVLXSA-N 2 1 371.547 0.971 10 0 FCAEMP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)CC1 ZINC000901146085 675763781 /nfs/dbraw/zinc/76/37/81/675763781.db2.gz PPQKLNREHKNEEZ-MJGOQNOKSA-N 2 1 352.523 0.459 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000897483366 1192181613 /nfs/dbraw/zinc/18/16/13/1192181613.db2.gz AQRYYLPTXZMQIU-JKSUJKDBSA-N 2 1 371.485 0.719 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001719575509 1167957873 /nfs/dbraw/zinc/95/78/73/1167957873.db2.gz HILINOISFLZZFN-ZACQAIPSSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cc(CO)ccc2F)CC[N@H+]1C ZINC001482731301 1192375033 /nfs/dbraw/zinc/37/50/33/1192375033.db2.gz RTONWNXNTQZISP-XYJFISCASA-N 2 1 367.465 0.615 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266787074 1170521397 /nfs/dbraw/zinc/52/13/97/1170521397.db2.gz SSGISTHQPJBKSR-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266787441 1170523163 /nfs/dbraw/zinc/52/31/63/1170523163.db2.gz XYMSADMYCVZPDD-KBAYOESNSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001719628811 1170846628 /nfs/dbraw/zinc/84/66/28/1170846628.db2.gz CKCFOBIXEPRGNJ-BBWFWOEESA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001719628811 1170846631 /nfs/dbraw/zinc/84/66/31/1170846631.db2.gz CKCFOBIXEPRGNJ-BBWFWOEESA-N 2 1 366.506 0.299 10 0 FCAEMP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483008182 1192698011 /nfs/dbraw/zinc/69/80/11/1192698011.db2.gz HOLLSVNZSFYODL-ITNBDLGZSA-N 2 1 367.494 0.213 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000897578395 1192818817 /nfs/dbraw/zinc/81/88/17/1192818817.db2.gz SFZYIUDMSVLYJW-RTBURBONSA-N 2 1 372.513 0.878 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000897578395 1192818818 /nfs/dbraw/zinc/81/88/18/1192818818.db2.gz SFZYIUDMSVLYJW-RTBURBONSA-N 2 1 372.513 0.878 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000897578395 1192818820 /nfs/dbraw/zinc/81/88/20/1192818820.db2.gz SFZYIUDMSVLYJW-RTBURBONSA-N 2 1 372.513 0.878 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000897578395 1192818821 /nfs/dbraw/zinc/81/88/21/1192818821.db2.gz SFZYIUDMSVLYJW-RTBURBONSA-N 2 1 372.513 0.878 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000897578395 1192818823 /nfs/dbraw/zinc/81/88/23/1192818823.db2.gz 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0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804050596 1219102541 /nfs/dbraw/zinc/10/25/41/1219102541.db2.gz JWXHOFJONSNGCE-BACDZXNISA-N 2 1 366.506 0.202 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC001490889726 1219362538 /nfs/dbraw/zinc/36/25/38/1219362538.db2.gz NYFRMPTZLKLFLG-UVPYHEFZSA-N 2 1 359.536 0.634 10 0 FCAEMP COCC[N@@H+](C[C@@H](O)COC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277398773 1226017702 /nfs/dbraw/zinc/01/77/02/1226017702.db2.gz UMOKUCJPFLGBFV-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP COCC[NH+](C[C@@H](O)COC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277398773 1226017704 /nfs/dbraw/zinc/01/77/04/1226017704.db2.gz UMOKUCJPFLGBFV-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP COCC[NH+](C[C@@H](O)COC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277398773 1226017710 /nfs/dbraw/zinc/01/77/10/1226017710.db2.gz UMOKUCJPFLGBFV-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001118035822 1221693069 /nfs/dbraw/zinc/69/30/69/1221693069.db2.gz VILNMBXJZOPKBM-SJORKVTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001118035822 1221693072 /nfs/dbraw/zinc/69/30/72/1221693072.db2.gz VILNMBXJZOPKBM-SJORKVTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001118265647 1221746715 /nfs/dbraw/zinc/74/67/15/1221746715.db2.gz UXNDJOJBRANMOS-CQSZACIVSA-N 2 1 357.458 0.980 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001118548481 1221799357 /nfs/dbraw/zinc/79/93/57/1221799357.db2.gz MQAAORIDHWLWDF-WBVHZDCISA-N 2 1 367.538 0.959 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)cn1 ZINC001118862441 1221837013 /nfs/dbraw/zinc/83/70/13/1221837013.db2.gz OTEQXZYWGGMPMS-UHFFFAOYSA-N 2 1 358.402 0.138 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001119692087 1221951806 /nfs/dbraw/zinc/95/18/06/1221951806.db2.gz BZMOKKJIHJZAOA-GVDBMIGSSA-N 2 1 366.506 0.345 10 0 FCAEMP C[C@@H](CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[NH+]1CCCCC1 ZINC001123547310 1222338996 /nfs/dbraw/zinc/33/89/96/1222338996.db2.gz WGLCDXQYCCZVNI-JENIJYKNSA-N 2 1 368.522 0.776 10 0 FCAEMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCC(=O)NCC[NH+]3CCCCCC3)[C@@H]2C1 ZINC001123650842 1222346959 /nfs/dbraw/zinc/34/69/59/1222346959.db2.gz XZJONERPMJSDII-GVDBMIGSSA-N 2 1 365.522 0.618 10 0 FCAEMP C[NH+]1C[C@H]2CC[C@@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC001124106661 1222380717 /nfs/dbraw/zinc/38/07/17/1222380717.db2.gz HZPNABSICVVCCV-HYJYAYOFSA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)[C@H]2C1 ZINC001124106661 1222380722 /nfs/dbraw/zinc/38/07/22/1222380722.db2.gz HZPNABSICVVCCV-HYJYAYOFSA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]3CC[C@@H]4C[N@@H+](C)C[C@@H]34)[C@H]2C1 ZINC001124106661 1222380726 /nfs/dbraw/zinc/38/07/26/1222380726.db2.gz HZPNABSICVVCCV-HYJYAYOFSA-N 2 1 366.481 0.237 10 0 FCAEMP O=C(NCC[NH+]1CCCOCC1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001138405366 1222505348 /nfs/dbraw/zinc/50/53/48/1222505348.db2.gz MZILBGHVWPCNKZ-FQEVSTJZSA-N 2 1 361.486 0.852 10 0 FCAEMP O=C(NCC[NH+]1CCCOCC1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001138405366 1222505352 /nfs/dbraw/zinc/50/53/52/1222505352.db2.gz MZILBGHVWPCNKZ-FQEVSTJZSA-N 2 1 361.486 0.852 10 0 FCAEMP O=C(NCC[N@@H+]1CCCOCC1)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001138405366 1222505357 /nfs/dbraw/zinc/50/53/57/1222505357.db2.gz MZILBGHVWPCNKZ-FQEVSTJZSA-N 2 1 361.486 0.852 10 0 FCAEMP O=C(NCC[N@H+]1CCCOCC1)[C@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001138405366 1222505360 /nfs/dbraw/zinc/50/53/60/1222505360.db2.gz MZILBGHVWPCNKZ-FQEVSTJZSA-N 2 1 361.486 0.852 10 0 FCAEMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc21 ZINC000823700703 1245321005 /nfs/dbraw/zinc/32/10/05/1245321005.db2.gz XMHSWGGLHZCQGV-UGSOOPFHSA-N 2 1 362.430 0.550 10 0 FCAEMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc21 ZINC000823700703 1245321006 /nfs/dbraw/zinc/32/10/06/1245321006.db2.gz XMHSWGGLHZCQGV-UGSOOPFHSA-N 2 1 362.430 0.550 10 0 FCAEMP C[C@@H]1CN(C(=[NH2+])NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000849094624 1245393282 /nfs/dbraw/zinc/39/32/82/1245393282.db2.gz MOCOGNBYHIETQP-OAHLLOKOSA-N 2 1 359.474 0.819 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)cn1 ZINC000849512290 1245397205 /nfs/dbraw/zinc/39/72/05/1245397205.db2.gz BTYHYEBILPSAOF-MHORFTMASA-N 2 1 361.490 0.435 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000849512290 1245397209 /nfs/dbraw/zinc/39/72/09/1245397209.db2.gz BTYHYEBILPSAOF-MHORFTMASA-N 2 1 361.490 0.435 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001571429965 1269932544 /nfs/dbraw/zinc/93/25/44/1269932544.db2.gz OGLBALVVDPUNEG-IXDOHACOSA-N 2 1 362.474 0.083 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCc2ccnn2C)CC[N@H+]1C ZINC001571579804 1269937864 /nfs/dbraw/zinc/93/78/64/1269937864.db2.gz CJTXNGVKICNVPJ-IXDOHACOSA-N 2 1 351.495 0.102 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)[C@H]2CCC(=O)NC2=O)C(C)C)CC[N@@H+]1C ZINC001571612224 1269945932 /nfs/dbraw/zinc/94/59/32/1269945932.db2.gz BRLXYADPJJWOAC-XHSDSOJGSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)[C@H]2CCC(=O)NC2=O)C(C)C)CC[N@H+]1C ZINC001571612224 1269945935 /nfs/dbraw/zinc/94/59/35/1269945935.db2.gz BRLXYADPJJWOAC-XHSDSOJGSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[N@H+](C)[C@H]2CCC(=O)NC2=O)C(C)C)CC[NH+]1C ZINC001571612224 1269945937 /nfs/dbraw/zinc/94/59/37/1269945937.db2.gz BRLXYADPJJWOAC-XHSDSOJGSA-N 2 1 366.506 0.691 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CC[N@@H+](C)[C@H]2CCC(=O)NC2=O)C(C)C)CC[NH+]1C ZINC001571612224 1269945942 /nfs/dbraw/zinc/94/59/42/1269945942.db2.gz BRLXYADPJJWOAC-XHSDSOJGSA-N 2 1 366.506 0.691 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001572005710 1269988034 /nfs/dbraw/zinc/98/80/34/1269988034.db2.gz ULGAUJOPXOJACO-NNPSNHGLSA-N 2 1 364.534 0.879 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001572005710 1269988037 /nfs/dbraw/zinc/98/80/37/1269988037.db2.gz ULGAUJOPXOJACO-NNPSNHGLSA-N 2 1 364.534 0.879 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001572005710 1269988038 /nfs/dbraw/zinc/98/80/38/1269988038.db2.gz ULGAUJOPXOJACO-NNPSNHGLSA-N 2 1 364.534 0.879 10 0 FCAEMP CCN1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)C1 ZINC001343886736 1270040853 /nfs/dbraw/zinc/04/08/53/1270040853.db2.gz FJSINLJCFRAXSV-ZACQAIPSSA-N 2 1 366.506 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0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001345077718 1270320323 /nfs/dbraw/zinc/32/03/23/1270320323.db2.gz LEBAFESOQVUUGS-KURKYZTESA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001573057514 1270577477 /nfs/dbraw/zinc/57/74/77/1270577477.db2.gz LPCSICNYDHECLR-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CC1 ZINC001573060558 1270581825 /nfs/dbraw/zinc/58/18/25/1270581825.db2.gz AXMAYLLPVJNNGU-BRWVUGGUSA-N 2 1 362.518 0.729 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001573174843 1270632088 /nfs/dbraw/zinc/63/20/88/1270632088.db2.gz RBLMGRBMRDJUHL-YESZJQIVSA-N 2 1 361.490 0.934 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001573174843 1270632095 /nfs/dbraw/zinc/63/20/95/1270632095.db2.gz RBLMGRBMRDJUHL-YESZJQIVSA-N 2 1 361.490 0.934 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)COCC[NH+](C)C ZINC001573533980 1270819383 /nfs/dbraw/zinc/81/93/83/1270819383.db2.gz HHNDFJDXMJYKEK-OWCLPIDISA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001573841793 1270901802 /nfs/dbraw/zinc/90/18/02/1270901802.db2.gz AJSYEVHRGRHUDS-IXDOHACOSA-N 2 1 352.523 0.881 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001573840377 1270902357 /nfs/dbraw/zinc/90/23/57/1270902357.db2.gz XMKPRKRMEIKNHU-QGPMSJSTSA-N 2 1 363.506 0.988 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001573898031 1270923172 /nfs/dbraw/zinc/92/31/72/1270923172.db2.gz SYKWCFZJFLGJCH-KZNAEPCWSA-N 2 1 364.534 0.881 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001574009277 1270991608 /nfs/dbraw/zinc/99/16/08/1270991608.db2.gz VDDKFKBXGVYJCW-NXHRZFHOSA-N 2 1 364.534 0.881 10 0 FCAEMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001574114763 1271070311 /nfs/dbraw/zinc/07/03/11/1271070311.db2.gz ZSFGZNQZCVUSGN-GPMSIDNRSA-N 2 1 350.507 0.920 10 0 FCAEMP C[C@H](C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001574581044 1271380621 /nfs/dbraw/zinc/38/06/21/1271380621.db2.gz OGBZWOUIKJGWMI-VQHPVUNQSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001574596601 1271397898 /nfs/dbraw/zinc/39/78/98/1271397898.db2.gz VYNRGNULMAGTDX-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001574596601 1271397903 /nfs/dbraw/zinc/39/79/03/1271397903.db2.gz VYNRGNULMAGTDX-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001574596601 1271397908 /nfs/dbraw/zinc/39/79/08/1271397908.db2.gz VYNRGNULMAGTDX-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C ZINC001575881151 1272545447 /nfs/dbraw/zinc/54/54/47/1272545447.db2.gz SXKIOGLURZJNAJ-JKSUJKDBSA-N 2 1 350.507 0.968 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001577834784 1274947946 /nfs/dbraw/zinc/94/79/46/1274947946.db2.gz VEGIKILAHLSHND-DLBZAZTESA-N 2 1 350.507 0.635 10 0 FCAEMP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713281934 1287272755 /nfs/dbraw/zinc/27/27/55/1287272755.db2.gz TWAIQEHZYSFCRJ-KPLDXPABSA-N 2 1 350.507 0.678 10 0 FCAEMP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713281934 1287272757 /nfs/dbraw/zinc/27/27/57/1287272757.db2.gz TWAIQEHZYSFCRJ-KPLDXPABSA-N 2 1 350.507 0.678 10 0 FCAEMP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713281934 1287272760 /nfs/dbraw/zinc/27/27/60/1287272760.db2.gz TWAIQEHZYSFCRJ-KPLDXPABSA-N 2 1 350.507 0.678 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCS(C)(=O)=O)CC[N@H+]1C ZINC001714127011 1287313262 /nfs/dbraw/zinc/31/32/62/1287313262.db2.gz HFIOFWYOPNGWDZ-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCCc1ccccc1 ZINC001714233906 1287315578 /nfs/dbraw/zinc/31/55/78/1287315578.db2.gz CRBIZEBKGBCYRH-LZLYRXPVSA-N 2 1 360.502 0.780 10 0 FCAEMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001714469244 1287322101 /nfs/dbraw/zinc/32/21/01/1287322101.db2.gz JLYPAJWMTPAZJV-RRFJBIMHSA-N 2 1 359.536 0.636 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001714543605 1287325601 /nfs/dbraw/zinc/32/56/01/1287325601.db2.gz QJPNJHXBTFLBKN-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001714543605 1287325603 /nfs/dbraw/zinc/32/56/03/1287325603.db2.gz QJPNJHXBTFLBKN-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F)CC[NH+]1C ZINC001714543605 1287325606 /nfs/dbraw/zinc/32/56/06/1287325606.db2.gz QJPNJHXBTFLBKN-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F)CC[NH+]1C ZINC001714543605 1287325610 /nfs/dbraw/zinc/32/56/10/1287325610.db2.gz QJPNJHXBTFLBKN-FRRDWIJNSA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001714605624 1287328019 /nfs/dbraw/zinc/32/80/19/1287328019.db2.gz HGWDFTKYXMIXRV-BZUAXINKSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001714605624 1287328021 /nfs/dbraw/zinc/32/80/21/1287328021.db2.gz HGWDFTKYXMIXRV-BZUAXINKSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2(CS(C)(=O)=O)CC2)CC[NH+]1C ZINC001714605624 1287328023 /nfs/dbraw/zinc/32/80/23/1287328023.db2.gz HGWDFTKYXMIXRV-BZUAXINKSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2(CS(C)(=O)=O)CC2)CC[NH+]1C ZINC001714605624 1287328026 /nfs/dbraw/zinc/32/80/26/1287328026.db2.gz HGWDFTKYXMIXRV-BZUAXINKSA-N 2 1 371.547 0.732 10 0 FCAEMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001715079909 1287342828 /nfs/dbraw/zinc/34/28/28/1287342828.db2.gz KRNSPTKQDSKSPW-ZACQAIPSSA-N 2 1 371.489 0.540 10 0 FCAEMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001715079909 1287342833 /nfs/dbraw/zinc/34/28/33/1287342833.db2.gz KRNSPTKQDSKSPW-ZACQAIPSSA-N 2 1 371.489 0.540 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001715079908 1287343480 /nfs/dbraw/zinc/34/34/80/1287343480.db2.gz KRNSPTKQDSKSPW-BBWFWOEESA-N 2 1 371.489 0.540 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001715079908 1287343486 /nfs/dbraw/zinc/34/34/86/1287343486.db2.gz KRNSPTKQDSKSPW-BBWFWOEESA-N 2 1 371.489 0.540 10 0 FCAEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1CCF ZINC001715493672 1287352897 /nfs/dbraw/zinc/35/28/97/1287352897.db2.gz KQWRONPYHMUIIQ-KFWWJZLASA-N 2 1 354.474 0.818 10 0 FCAEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ncnn1CCF ZINC001715493672 1287352902 /nfs/dbraw/zinc/35/29/02/1287352902.db2.gz KQWRONPYHMUIIQ-KFWWJZLASA-N 2 1 354.474 0.818 10 0 FCAEMP COc1coc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001716141261 1287372580 /nfs/dbraw/zinc/37/25/80/1287372580.db2.gz HCEMTEPFZQUKSV-UMVBOHGHSA-N 2 1 351.447 0.973 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3nccnc3C)C2)CC[N@@H+]1C ZINC001716918880 1287394564 /nfs/dbraw/zinc/39/45/64/1287394564.db2.gz NWPVIZULPVFUNP-WDYCEAGBSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3nccnc3C)C2)CC[N@H+]1C ZINC001716918880 1287394566 /nfs/dbraw/zinc/39/45/66/1287394566.db2.gz NWPVIZULPVFUNP-WDYCEAGBSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3nccnc3C)C2)CC[NH+]1C ZINC001716918880 1287394569 /nfs/dbraw/zinc/39/45/69/1287394569.db2.gz NWPVIZULPVFUNP-WDYCEAGBSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3nccnc3C)C2)CC[NH+]1C ZINC001716918880 1287394571 /nfs/dbraw/zinc/39/45/71/1287394571.db2.gz NWPVIZULPVFUNP-WDYCEAGBSA-N 2 1 361.490 0.568 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](OC)C3CCC3)C2)CC[N@@H+]1C ZINC001716937800 1287398378 /nfs/dbraw/zinc/39/83/78/1287398378.db2.gz PYQCOIGYHDBFCQ-GVDBMIGSSA-N 2 1 353.507 0.695 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](OC)C3CCC3)C2)CC[N@H+]1C ZINC001716937800 1287398383 /nfs/dbraw/zinc/39/83/83/1287398383.db2.gz PYQCOIGYHDBFCQ-GVDBMIGSSA-N 2 1 353.507 0.695 10 0 FCAEMP Cc1cnc(CNC2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001717015470 1287402170 /nfs/dbraw/zinc/40/21/70/1287402170.db2.gz HBVWTVBQJRMCJV-NVXWUHKLSA-N 2 1 363.506 0.993 10 0 FCAEMP Cc1cnc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001717015470 1287402171 /nfs/dbraw/zinc/40/21/71/1287402171.db2.gz HBVWTVBQJRMCJV-NVXWUHKLSA-N 2 1 363.506 0.993 10 0 FCAEMP Cc1cnc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001717015470 1287402172 /nfs/dbraw/zinc/40/21/72/1287402172.db2.gz HBVWTVBQJRMCJV-NVXWUHKLSA-N 2 1 363.506 0.993 10 0 FCAEMP CCOCCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001717188218 1287411313 /nfs/dbraw/zinc/41/13/13/1287411313.db2.gz AILLLUAPZYQRLW-GUDVDZBRSA-N 2 1 366.550 0.972 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001717323178 1287419068 /nfs/dbraw/zinc/41/90/68/1287419068.db2.gz RNVFYFZKGPOHAT-MSOLQXFVSA-N 2 1 361.486 0.267 10 0 FCAEMP COCCCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717700781 1287432980 /nfs/dbraw/zinc/43/29/80/1287432980.db2.gz GTZMGAVYHVKDOL-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP COCCCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717700781 1287432988 /nfs/dbraw/zinc/43/29/88/1287432988.db2.gz GTZMGAVYHVKDOL-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP COCCCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717700781 1287432991 /nfs/dbraw/zinc/43/29/91/1287432991.db2.gz GTZMGAVYHVKDOL-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCC2CCOCC2)CC[N@H+]1C ZINC001717917342 1287442545 /nfs/dbraw/zinc/44/25/45/1287442545.db2.gz OFVVMTWUMCVEGO-BPQIPLTHSA-N 2 1 355.523 0.942 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)NCC3CC3)C(C)(C)C2)CC[N@H+]1C ZINC001717894107 1287443315 /nfs/dbraw/zinc/44/33/15/1287443315.db2.gz LGROPHFMHDRYAA-BMFZPTHFSA-N 2 1 350.507 0.679 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001717938376 1287447691 /nfs/dbraw/zinc/44/76/91/1287447691.db2.gz KPOOZMAOKBEJRB-IXDOHACOSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001717938376 1287447693 /nfs/dbraw/zinc/44/76/93/1287447693.db2.gz KPOOZMAOKBEJRB-IXDOHACOSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001717938376 1287447697 /nfs/dbraw/zinc/44/76/97/1287447697.db2.gz KPOOZMAOKBEJRB-IXDOHACOSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001717938376 1287447700 /nfs/dbraw/zinc/44/77/00/1287447700.db2.gz KPOOZMAOKBEJRB-IXDOHACOSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH+](C)CCn2cccn2)CC[N@H+]1C ZINC001717938570 1287447831 /nfs/dbraw/zinc/44/78/31/1287447831.db2.gz OOJILGUWGAIMCV-IXDOHACOSA-N 2 1 351.495 0.365 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCn2cccn2)CC[NH+]1C ZINC001717938570 1287447834 /nfs/dbraw/zinc/44/78/34/1287447834.db2.gz OOJILGUWGAIMCV-IXDOHACOSA-N 2 1 351.495 0.365 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCn2cccn2)CC[NH+]1C ZINC001717938570 1287447837 /nfs/dbraw/zinc/44/78/37/1287447837.db2.gz OOJILGUWGAIMCV-IXDOHACOSA-N 2 1 351.495 0.365 10 0 FCAEMP CC(C)N(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717948643 1287449820 /nfs/dbraw/zinc/44/98/20/1287449820.db2.gz URJDZMULOWLYHM-RBSFLKMASA-N 2 1 352.479 0.301 10 0 FCAEMP CC(C)N(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717948643 1287449823 /nfs/dbraw/zinc/44/98/23/1287449823.db2.gz URJDZMULOWLYHM-RBSFLKMASA-N 2 1 352.479 0.301 10 0 FCAEMP CC(C)N(CC[NH+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717948643 1287449826 /nfs/dbraw/zinc/44/98/26/1287449826.db2.gz URJDZMULOWLYHM-RBSFLKMASA-N 2 1 352.479 0.301 10 0 FCAEMP CC(C)N(CC[NH+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717948643 1287449850 /nfs/dbraw/zinc/44/98/50/1287449850.db2.gz URJDZMULOWLYHM-RBSFLKMASA-N 2 1 352.479 0.301 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001632011478 1282149461 /nfs/dbraw/zinc/14/94/61/1282149461.db2.gz GYNJFBFSGLCIRB-KZNAEPCWSA-N 3 1 351.539 0.249 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001632011478 1282149466 /nfs/dbraw/zinc/14/94/66/1282149466.db2.gz GYNJFBFSGLCIRB-KZNAEPCWSA-N 3 1 351.539 0.249 10 0 FCAEMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001632011478 1282149468 /nfs/dbraw/zinc/14/94/68/1282149468.db2.gz GYNJFBFSGLCIRB-KZNAEPCWSA-N 3 1 351.539 0.249 10 0 FCAEMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001632011478 1282149474 /nfs/dbraw/zinc/14/94/74/1282149474.db2.gz GYNJFBFSGLCIRB-KZNAEPCWSA-N 2 1 351.539 0.249 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001632011478 1282149482 /nfs/dbraw/zinc/14/94/82/1282149482.db2.gz GYNJFBFSGLCIRB-KZNAEPCWSA-N 2 1 351.539 0.249 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1C ZINC001718761689 1287557784 /nfs/dbraw/zinc/55/77/84/1287557784.db2.gz HXKOPGJRGSJWEP-OWCLPIDISA-N 2 1 370.538 0.240 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001718761689 1287557789 /nfs/dbraw/zinc/55/77/89/1287557789.db2.gz HXKOPGJRGSJWEP-OWCLPIDISA-N 2 1 370.538 0.240 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1C ZINC001718761689 1287557794 /nfs/dbraw/zinc/55/77/94/1287557794.db2.gz HXKOPGJRGSJWEP-OWCLPIDISA-N 2 1 370.538 0.240 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001682558247 1283673444 /nfs/dbraw/zinc/67/34/44/1283673444.db2.gz JBNKHBSQCCSKDF-IAGOWNOFSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC001682576691 1283693020 /nfs/dbraw/zinc/69/30/20/1283693020.db2.gz MFHSVCWKPBNTAR-GVDBMIGSSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001682576691 1283693036 /nfs/dbraw/zinc/69/30/36/1283693036.db2.gz MFHSVCWKPBNTAR-GVDBMIGSSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001682576691 1283693052 /nfs/dbraw/zinc/69/30/52/1283693052.db2.gz MFHSVCWKPBNTAR-GVDBMIGSSA-N 2 1 368.522 0.281 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1O ZINC001682657697 1283742173 /nfs/dbraw/zinc/74/21/73/1283742173.db2.gz FRARMCZISJPDJX-JFIYKMOQSA-N 2 1 368.522 0.137 10 0 FCAEMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C[C@H]1C ZINC001682916493 1283803802 /nfs/dbraw/zinc/80/38/02/1283803802.db2.gz HNBITWOVFNNWPR-ZACQAIPSSA-N 2 1 368.522 0.399 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C[C@H]1C ZINC001682916493 1283803815 /nfs/dbraw/zinc/80/38/15/1283803815.db2.gz HNBITWOVFNNWPR-ZACQAIPSSA-N 2 1 368.522 0.399 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001682916493 1283803823 /nfs/dbraw/zinc/80/38/23/1283803823.db2.gz HNBITWOVFNNWPR-ZACQAIPSSA-N 2 1 368.522 0.399 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001682916493 1283803836 /nfs/dbraw/zinc/80/38/36/1283803836.db2.gz HNBITWOVFNNWPR-ZACQAIPSSA-N 2 1 368.522 0.399 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001683794443 1284107627 /nfs/dbraw/zinc/10/76/27/1284107627.db2.gz XYOZTTXJEYZKLK-GVDBMIGSSA-N 2 1 350.507 0.729 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001684573847 1284206074 /nfs/dbraw/zinc/20/60/74/1284206074.db2.gz YTHFWEWJCCPYDM-BHYGNILZSA-N 2 1 361.490 0.934 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001684573847 1284206084 /nfs/dbraw/zinc/20/60/84/1284206084.db2.gz YTHFWEWJCCPYDM-BHYGNILZSA-N 2 1 361.490 0.934 10 0 FCAEMP 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CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001316758931 867460194 /nfs/dbraw/zinc/46/01/94/867460194.db2.gz AOPJNHRNUYWPAD-SJORKVTESA-N 2 1 352.523 0.974 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2CC2)CC[N@H+]1C ZINC001317014710 867517372 /nfs/dbraw/zinc/51/73/72/867517372.db2.gz VFVRGIRFCNJDBA-RTXFEEFZSA-N 2 1 364.412 0.490 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001317392919 867529946 /nfs/dbraw/zinc/52/99/46/867529946.db2.gz JVIBBWMDIFWUHL-HZSPNIEDSA-N 2 1 352.483 0.850 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001317392919 867529949 /nfs/dbraw/zinc/52/99/49/867529949.db2.gz JVIBBWMDIFWUHL-HZSPNIEDSA-N 2 1 352.483 0.850 10 0 FCAEMP CCOc1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001320231288 868115848 /nfs/dbraw/zinc/11/58/48/868115848.db2.gz LLJYOGPFYUQQBJ-FVQBIDKESA-N 2 1 350.463 0.387 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001321066282 868356083 /nfs/dbraw/zinc/35/60/83/868356083.db2.gz ZXKKPPBUKRSXBH-WLBISTCBSA-N 2 1 353.511 0.686 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001323441184 869194617 /nfs/dbraw/zinc/19/46/17/869194617.db2.gz FWYUDQVZTXGUDL-JKSUJKDBSA-N 2 1 350.507 0.968 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC2CCC2)CC[N@H+]1C ZINC001324163818 869493023 /nfs/dbraw/zinc/49/30/23/869493023.db2.gz QTQIRRYHRKWVBB-DJIMGWMZSA-N 2 1 350.507 0.824 10 0 FCAEMP COc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001326024934 870144692 /nfs/dbraw/zinc/14/46/92/870144692.db2.gz ZGRGPAJGJZCIIG-GDBMZVCRSA-N 2 1 350.463 0.341 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001344123926 870753681 /nfs/dbraw/zinc/75/36/81/870753681.db2.gz QDSPFJZHNIJRFZ-HZPDHXFCSA-N 2 1 350.507 0.966 10 0 FCAEMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001345479697 871370281 /nfs/dbraw/zinc/37/02/81/871370281.db2.gz VGAHVWSLQYTSCN-JJXSEGSLSA-N 2 1 351.495 0.213 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001345479697 871370302 /nfs/dbraw/zinc/37/03/02/871370302.db2.gz VGAHVWSLQYTSCN-JJXSEGSLSA-N 2 1 351.495 0.213 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001345479697 871370322 /nfs/dbraw/zinc/37/03/22/871370322.db2.gz VGAHVWSLQYTSCN-JJXSEGSLSA-N 2 1 351.495 0.213 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001345901473 871554639 /nfs/dbraw/zinc/55/46/39/871554639.db2.gz HMFZNMLXAXGYPC-MDZRGWNJSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001328737417 871603526 /nfs/dbraw/zinc/60/35/26/871603526.db2.gz MXTDWZVJQXJMPP-BZUAXINKSA-N 2 1 359.536 0.684 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCS(C)(=O)=O)CC[N@H+]1C ZINC001328737417 871603533 /nfs/dbraw/zinc/60/35/33/871603533.db2.gz MXTDWZVJQXJMPP-BZUAXINKSA-N 2 1 359.536 0.684 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CCCS(C)(=O)=O)CC[NH+]1C ZINC001328737417 871603545 /nfs/dbraw/zinc/60/35/45/871603545.db2.gz MXTDWZVJQXJMPP-BZUAXINKSA-N 2 1 359.536 0.684 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCS(C)(=O)=O)CC[NH+]1C ZINC001328737417 871603557 /nfs/dbraw/zinc/60/35/57/871603557.db2.gz MXTDWZVJQXJMPP-BZUAXINKSA-N 2 1 359.536 0.684 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CCNC(=O)NC(C)(C)C ZINC001329441723 872031046 /nfs/dbraw/zinc/03/10/46/872031046.db2.gz OXWTWDYJYYKERO-RRFJBIMHSA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CCNC(=O)NC(C)(C)C ZINC001329441723 872031058 /nfs/dbraw/zinc/03/10/58/872031058.db2.gz OXWTWDYJYYKERO-RRFJBIMHSA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CCNC(=O)NC(C)(C)C ZINC001329441723 872031080 /nfs/dbraw/zinc/03/10/80/872031080.db2.gz OXWTWDYJYYKERO-RRFJBIMHSA-N 2 1 355.527 0.861 10 0 FCAEMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001348191338 872622688 /nfs/dbraw/zinc/62/26/88/872622688.db2.gz DPNBYZWFJDZBJV-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001348591075 872734696 /nfs/dbraw/zinc/73/46/96/872734696.db2.gz KXJNMHOFIQJZIK-UIBIWLFHSA-N 2 1 354.495 0.384 10 0 FCAEMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001348591069 872734779 /nfs/dbraw/zinc/73/47/79/872734779.db2.gz KXJNMHOFIQJZIK-MUQADHOPSA-N 2 1 354.495 0.384 10 0 FCAEMP CCc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331710439 873208950 /nfs/dbraw/zinc/20/89/50/873208950.db2.gz AUKMJQBHKRRHOG-JKIFEVAISA-N 2 1 352.479 0.842 10 0 FCAEMP CCc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001331710439 873208961 /nfs/dbraw/zinc/20/89/61/873208961.db2.gz AUKMJQBHKRRHOG-JKIFEVAISA-N 2 1 352.479 0.842 10 0 FCAEMP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC001332001329 873329209 /nfs/dbraw/zinc/32/92/09/873329209.db2.gz POFKPYGTKYZKOL-NVXWUHKLSA-N 2 1 350.507 0.872 10 0 FCAEMP CN(C)Cc1csc(CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC001332361963 873477356 /nfs/dbraw/zinc/47/73/56/873477356.db2.gz RDRFBLRDYBTFPF-HNNXBMFYSA-N 2 1 367.519 0.945 10 0 FCAEMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000930490179 674031608 /nfs/dbraw/zinc/03/16/08/674031608.db2.gz BVCPKJSYLVQLDR-OEAJRASXSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000930490179 674031610 /nfs/dbraw/zinc/03/16/10/674031610.db2.gz BVCPKJSYLVQLDR-OEAJRASXSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930490179 674031614 /nfs/dbraw/zinc/03/16/14/674031614.db2.gz BVCPKJSYLVQLDR-OEAJRASXSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930490179 674031619 /nfs/dbraw/zinc/03/16/19/674031619.db2.gz BVCPKJSYLVQLDR-OEAJRASXSA-N 2 1 366.531 0.281 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000333696324 215310965 /nfs/dbraw/zinc/31/09/65/215310965.db2.gz QHEAGPKKPLZNBJ-QZTJIDSGSA-N 2 1 367.538 0.565 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000930958001 674081532 /nfs/dbraw/zinc/08/15/32/674081532.db2.gz QVEKVUPFVRMULQ-OWCLPIDISA-N 2 1 354.495 0.202 10 0 FCAEMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000931018780 674087389 /nfs/dbraw/zinc/08/73/89/674087389.db2.gz PSYOZGZBCMCLRU-SOUVJXGZSA-N 2 1 354.520 0.283 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000931018780 674087394 /nfs/dbraw/zinc/08/73/94/674087394.db2.gz PSYOZGZBCMCLRU-SOUVJXGZSA-N 2 1 354.520 0.283 10 0 FCAEMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000931018780 674087397 /nfs/dbraw/zinc/08/73/97/674087397.db2.gz PSYOZGZBCMCLRU-SOUVJXGZSA-N 2 1 354.520 0.283 10 0 FCAEMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000931018780 674087400 /nfs/dbraw/zinc/08/74/00/674087400.db2.gz PSYOZGZBCMCLRU-SOUVJXGZSA-N 2 1 354.520 0.283 10 0 FCAEMP CN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284840118 213231954 /nfs/dbraw/zinc/23/19/54/213231954.db2.gz NBOOQUSVYWSSGN-GOSISDBHSA-N 2 1 358.486 0.930 10 0 FCAEMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1)[NH+]1CC[C@H](C)[C@@H](CO)C1 ZINC000931104292 674093119 /nfs/dbraw/zinc/09/31/19/674093119.db2.gz PEOMIARQIXWSJW-DISONHOPSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1)[NH+]1CC[C@H](C)[C@@H](CO)C1 ZINC000931104292 674093124 /nfs/dbraw/zinc/09/31/24/674093124.db2.gz PEOMIARQIXWSJW-DISONHOPSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1)[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000931104292 674093126 /nfs/dbraw/zinc/09/31/26/674093126.db2.gz PEOMIARQIXWSJW-DISONHOPSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1)[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000931104292 674093130 /nfs/dbraw/zinc/09/31/30/674093130.db2.gz PEOMIARQIXWSJW-DISONHOPSA-N 2 1 355.523 0.392 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000284334276 213113493 /nfs/dbraw/zinc/11/34/93/213113493.db2.gz QQURUCNNOBCWCZ-GOSISDBHSA-N 2 1 371.485 0.987 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CCC[NH+]2CCCC2)C1 ZINC000366882716 216046861 /nfs/dbraw/zinc/04/68/61/216046861.db2.gz LXYFRBZKEOAICN-SFHVURJKSA-N 2 1 354.539 0.877 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CC(=O)NC)CC2)[C@@H](C)C1 ZINC000246497454 209390410 /nfs/dbraw/zinc/39/04/10/209390410.db2.gz SHYXLLBDVQMIBC-GOEBONIOSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@@H](C)C1 ZINC000246497454 209390415 /nfs/dbraw/zinc/39/04/15/209390415.db2.gz SHYXLLBDVQMIBC-GOEBONIOSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC(=O)NC)CC2)[C@@H](C)C1 ZINC000246497454 209390419 /nfs/dbraw/zinc/39/04/19/209390419.db2.gz SHYXLLBDVQMIBC-GOEBONIOSA-N 2 1 353.511 0.569 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2F)CC1 ZINC000236995411 209346477 /nfs/dbraw/zinc/34/64/77/209346477.db2.gz QTEQOHOPISIOBB-UHFFFAOYSA-N 2 1 363.481 0.603 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000192619449 209302915 /nfs/dbraw/zinc/30/29/15/209302915.db2.gz NYXCHCXVNZBFKG-QGZVFWFLSA-N 2 1 358.552 0.514 10 0 FCAEMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000187297856 209211942 /nfs/dbraw/zinc/21/19/42/209211942.db2.gz FZPFFDCBBSBBBC-WMZOPIPTSA-N 2 1 363.506 0.905 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000187297856 209211946 /nfs/dbraw/zinc/21/19/46/209211946.db2.gz FZPFFDCBBSBBBC-WMZOPIPTSA-N 2 1 363.506 0.905 10 0 FCAEMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000187297856 209211949 /nfs/dbraw/zinc/21/19/49/209211949.db2.gz FZPFFDCBBSBBBC-WMZOPIPTSA-N 2 1 363.506 0.905 10 0 FCAEMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415163769 245352616 /nfs/dbraw/zinc/35/26/16/245352616.db2.gz OWFUBVMKWJWIRN-CYBMUJFWSA-N 2 1 360.458 0.532 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415163769 245352622 /nfs/dbraw/zinc/35/26/22/245352622.db2.gz OWFUBVMKWJWIRN-CYBMUJFWSA-N 2 1 360.458 0.532 10 0 FCAEMP COC[C@@H]1CN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675488 217043925 /nfs/dbraw/zinc/04/39/25/217043925.db2.gz JJSVBHOZYYQBKQ-IKGGRYGDSA-N 2 1 357.495 0.195 10 0 FCAEMP COC[C@@H]1CN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675488 217043927 /nfs/dbraw/zinc/04/39/27/217043927.db2.gz JJSVBHOZYYQBKQ-IKGGRYGDSA-N 2 1 357.495 0.195 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000419130241 246004719 /nfs/dbraw/zinc/00/47/19/246004719.db2.gz FANLGMPSPNPQLY-SFHVURJKSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419149664 246018139 /nfs/dbraw/zinc/01/81/39/246018139.db2.gz FPNXGZKSUBUOQI-BHIYHBOVSA-N 2 1 372.513 0.781 10 0 FCAEMP [NH3+][C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000419395789 246133049 /nfs/dbraw/zinc/13/30/49/246133049.db2.gz RFXGMRAZAZIERF-IBGZPJMESA-N 2 1 366.465 0.977 10 0 FCAEMP [NH3+][C@@H](CNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000419395789 246133056 /nfs/dbraw/zinc/13/30/56/246133056.db2.gz RFXGMRAZAZIERF-IBGZPJMESA-N 2 1 366.465 0.977 10 0 FCAEMP C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C[N@H+]1CCO ZINC000419407177 246139648 /nfs/dbraw/zinc/13/96/48/246139648.db2.gz JUSIAYSWUOYXIQ-CVEARBPZSA-N 2 1 355.527 0.109 10 0 FCAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419419292 246152045 /nfs/dbraw/zinc/15/20/45/246152045.db2.gz JAHGGUCNPLNAEX-RDJZCZTQSA-N 2 1 359.474 0.545 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000419494413 246181487 /nfs/dbraw/zinc/18/14/87/246181487.db2.gz PJYNZMODTCBLPC-BRWVUGGUSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000419494413 246181491 /nfs/dbraw/zinc/18/14/91/246181491.db2.gz PJYNZMODTCBLPC-BRWVUGGUSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000419494413 246181496 /nfs/dbraw/zinc/18/14/96/246181496.db2.gz PJYNZMODTCBLPC-BRWVUGGUSA-N 2 1 356.511 0.584 10 0 FCAEMP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000419514250 246188481 /nfs/dbraw/zinc/18/84/81/246188481.db2.gz NWIKRUZBTUSELI-BPUTZDHNSA-N 2 1 362.474 0.955 10 0 FCAEMP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419556670 246202172 /nfs/dbraw/zinc/20/21/72/246202172.db2.gz JIJFOKRXJROFQC-DZGCQCFKSA-N 2 1 352.504 0.973 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419705197 246261351 /nfs/dbraw/zinc/26/13/51/246261351.db2.gz IOGGTPINIRLFRB-LMSBXDPUSA-N 2 1 358.486 0.880 10 0 FCAEMP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419853267 246323828 /nfs/dbraw/zinc/32/38/28/246323828.db2.gz DXNQUGOTPIJFIW-ROUUACIJSA-N 2 1 358.486 0.835 10 0 FCAEMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419918651 246367966 /nfs/dbraw/zinc/36/79/66/246367966.db2.gz UXRPCFQLJNHJHQ-UXLLHSPISA-N 2 1 362.474 0.418 10 0 FCAEMP CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419906890 246361614 /nfs/dbraw/zinc/36/16/14/246361614.db2.gz AWCFKHBNJUDFKB-FUHWJXTLSA-N 2 1 358.486 0.835 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000423693182 247113797 /nfs/dbraw/zinc/11/37/97/247113797.db2.gz DVIQWIUIEZGJAP-RDJZCZTQSA-N 2 1 374.485 0.578 10 0 FCAEMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000423638802 247087632 /nfs/dbraw/zinc/08/76/32/247087632.db2.gz IVLOCSDKHMMLJC-MRXNPFEDSA-N 2 1 359.474 0.497 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000424491739 247238215 /nfs/dbraw/zinc/23/82/15/247238215.db2.gz FMTVOJWTWXEATD-PKOBYXMFSA-N 2 1 370.497 0.930 10 0 FCAEMP C[NH+](C)CCN1C(=O)C[C@@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1=O ZINC000424525342 247250426 /nfs/dbraw/zinc/25/04/26/247250426.db2.gz MCCIERADSCMUTA-IPMKNSEASA-N 2 1 370.497 0.882 10 0 FCAEMP 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ZINC000116792798 208332891 /nfs/dbraw/zinc/33/28/91/208332891.db2.gz IBPKQHKYVMWYJU-OALUTQOASA-N 2 1 360.502 0.764 10 0 FCAEMP c1ncn([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000178637875 209055005 /nfs/dbraw/zinc/05/50/05/209055005.db2.gz UKDRVOBSYSMYTF-HDICACEKSA-N 2 1 374.493 0.860 10 0 FCAEMP c1ncn([C@@H]2CCC[N@@H+](CCOCC[NH+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000178637875 209055008 /nfs/dbraw/zinc/05/50/08/209055008.db2.gz UKDRVOBSYSMYTF-HDICACEKSA-N 2 1 374.493 0.860 10 0 FCAEMP c1ncn([C@@H]2CCC[N@H+](CCOCC[NH+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000178637875 209055013 /nfs/dbraw/zinc/05/50/13/209055013.db2.gz UKDRVOBSYSMYTF-HDICACEKSA-N 2 1 374.493 0.860 10 0 FCAEMP C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000179282002 209075919 /nfs/dbraw/zinc/07/59/19/209075919.db2.gz IZUUJZXGMKDZNZ-FUHWJXTLSA-N 2 1 367.538 0.375 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000554256864 491189501 /nfs/dbraw/zinc/18/95/01/491189501.db2.gz MMWNNNWHKNGIBA-PBHICJAKSA-N 2 1 350.507 0.824 10 0 FCAEMP O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CC[NH2+]CC1 ZINC000311691220 488895184 /nfs/dbraw/zinc/89/51/84/488895184.db2.gz SFTQFNLVXGKEHZ-RCCFBDPRSA-N 2 1 356.470 0.445 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278822853 488897687 /nfs/dbraw/zinc/89/76/87/488897687.db2.gz HQZZHMIXUKENQU-PLMTUMEDSA-N 2 1 370.497 0.978 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278822853 488897689 /nfs/dbraw/zinc/89/76/89/488897689.db2.gz HQZZHMIXUKENQU-PLMTUMEDSA-N 2 1 370.497 0.978 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278822853 488897690 /nfs/dbraw/zinc/89/76/90/488897690.db2.gz HQZZHMIXUKENQU-PLMTUMEDSA-N 2 1 370.497 0.978 10 0 FCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000184807716 488397901 /nfs/dbraw/zinc/39/79/01/488397901.db2.gz FLILEUHTDSRUDL-KRWDZBQOSA-N 2 1 355.527 0.111 10 0 FCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000185047645 488399017 /nfs/dbraw/zinc/39/90/17/488399017.db2.gz OZXSLQLIMIMAFZ-QGZVFWFLSA-N 2 1 356.511 0.585 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185373146 488400650 /nfs/dbraw/zinc/40/06/50/488400650.db2.gz MSLSDFKLUHSJBQ-QGZVFWFLSA-N 2 1 369.554 0.813 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185373146 488400652 /nfs/dbraw/zinc/40/06/52/488400652.db2.gz MSLSDFKLUHSJBQ-QGZVFWFLSA-N 2 1 369.554 0.813 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185373146 488400654 /nfs/dbraw/zinc/40/06/54/488400654.db2.gz MSLSDFKLUHSJBQ-QGZVFWFLSA-N 2 1 369.554 0.813 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000245703268 488466122 /nfs/dbraw/zinc/46/61/22/488466122.db2.gz RHMPFQSEQHTPLP-YYIAUSFCSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000245703268 488466124 /nfs/dbraw/zinc/46/61/24/488466124.db2.gz RHMPFQSEQHTPLP-YYIAUSFCSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000245703268 488466125 /nfs/dbraw/zinc/46/61/25/488466125.db2.gz RHMPFQSEQHTPLP-YYIAUSFCSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1CN(CCN2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)CC[NH+]1C[C@H](C)O ZINC000246650522 488474306 /nfs/dbraw/zinc/47/43/06/488474306.db2.gz BNAKOYBRIZAAKQ-VNTMZGSJSA-N 2 1 370.582 0.540 10 0 FCAEMP CC(=O)N[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000247164188 488482989 /nfs/dbraw/zinc/48/29/89/488482989.db2.gz UXYFGFHOQKKZER-QZTJIDSGSA-N 2 1 354.495 0.204 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000247646498 488489102 /nfs/dbraw/zinc/48/91/02/488489102.db2.gz VGKWBUHROAWDNR-FUHWJXTLSA-N 2 1 368.522 0.992 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247646498 488489104 /nfs/dbraw/zinc/48/91/04/488489104.db2.gz VGKWBUHROAWDNR-FUHWJXTLSA-N 2 1 368.522 0.992 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000247646498 488489106 /nfs/dbraw/zinc/48/91/06/488489106.db2.gz VGKWBUHROAWDNR-FUHWJXTLSA-N 2 1 368.522 0.992 10 0 FCAEMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000252801228 488519373 /nfs/dbraw/zinc/51/93/73/488519373.db2.gz ACFYTKFJWPOGNS-ZIFCJYIRSA-N 2 1 358.486 0.958 10 0 FCAEMP COC(=O)CN(C)C(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230811 488528997 /nfs/dbraw/zinc/52/89/97/488528997.db2.gz DHVXYRVPQBTMHA-MRXNPFEDSA-N 2 1 354.495 0.110 10 0 FCAEMP COCC1(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000261666074 488529845 /nfs/dbraw/zinc/52/98/45/488529845.db2.gz FUYGDLRXEZQODC-UHFFFAOYSA-N 2 1 374.529 0.937 10 0 FCAEMP C[N@H+](CCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000111691267 488531492 /nfs/dbraw/zinc/53/14/92/488531492.db2.gz YZBXYPHMEKYBRS-FQEVSTJZSA-N 2 1 374.529 0.719 10 0 FCAEMP C[N@@H+](CCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000111691267 488531495 /nfs/dbraw/zinc/53/14/95/488531495.db2.gz YZBXYPHMEKYBRS-FQEVSTJZSA-N 2 1 374.529 0.719 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000261892376 488540499 /nfs/dbraw/zinc/54/04/99/488540499.db2.gz UDFFREDELTVPAJ-KRWDZBQOSA-N 2 1 350.507 0.779 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261905073 488541054 /nfs/dbraw/zinc/54/10/54/488541054.db2.gz SCRRLLYSKFUBSU-JKSUJKDBSA-N 2 1 372.473 0.076 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262018831 488546464 /nfs/dbraw/zinc/54/64/64/488546464.db2.gz RMDZBUDEBPLLRT-NVXWUHKLSA-N 2 1 374.485 0.578 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3(C[NH3+])CCOCC3)cc2)CC1 ZINC000262138836 488552991 /nfs/dbraw/zinc/55/29/91/488552991.db2.gz HAEQFNVFEBTNOC-UHFFFAOYSA-N 2 1 360.458 0.768 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)cn2)CC1 ZINC000134294096 488665602 /nfs/dbraw/zinc/66/56/02/488665602.db2.gz RBGGZKVVSPBMAF-QGZVFWFLSA-N 2 1 368.489 0.777 10 0 FCAEMP CC[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1C[C@@H](C)O ZINC000136843374 488678868 /nfs/dbraw/zinc/67/88/68/488678868.db2.gz HOXKCFXQTYXUTI-CABCVRRESA-N 2 1 352.483 0.754 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCCCNC3=O)CC2)CC1 ZINC000153643878 488733625 /nfs/dbraw/zinc/73/36/25/488733625.db2.gz CYPSOBNROVDOLP-QGZVFWFLSA-N 2 1 350.507 0.921 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154926100 488748887 /nfs/dbraw/zinc/74/88/87/488748887.db2.gz XJNFMJGEEIODOL-KRWDZBQOSA-N 2 1 356.511 0.585 10 0 FCAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000155250800 488753340 /nfs/dbraw/zinc/75/33/40/488753340.db2.gz PLYWNDMCEMPFMN-FQEVSTJZSA-N 2 1 374.529 0.902 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000563142344 491220464 /nfs/dbraw/zinc/22/04/64/491220464.db2.gz MVVJYRGBYOARHI-FSPWUOQZSA-N 2 1 356.470 0.670 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CCNC(=O)C(C)C)C1 ZINC000157732591 488772808 /nfs/dbraw/zinc/77/28/08/488772808.db2.gz UTMPBYDGOGZRBH-INIZCTEOSA-N 2 1 356.511 0.163 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)CN(C)CCNC(=O)C(C)C)C1 ZINC000157732591 488772809 /nfs/dbraw/zinc/77/28/09/488772809.db2.gz UTMPBYDGOGZRBH-INIZCTEOSA-N 2 1 356.511 0.163 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000171212200 488821341 /nfs/dbraw/zinc/82/13/41/488821341.db2.gz FIHWQXHZOQHGBP-SFHVURJKSA-N 2 1 364.490 0.283 10 0 FCAEMP COCC[NH+](C)CCNC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000171212200 488821342 /nfs/dbraw/zinc/82/13/42/488821342.db2.gz FIHWQXHZOQHGBP-SFHVURJKSA-N 2 1 364.490 0.283 10 0 FCAEMP COCC[NH+](C)CCNC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000171212200 488821343 /nfs/dbraw/zinc/82/13/43/488821343.db2.gz FIHWQXHZOQHGBP-SFHVURJKSA-N 2 1 364.490 0.283 10 0 FCAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)[nH+]1 ZINC000171651598 488825289 /nfs/dbraw/zinc/82/52/89/488825289.db2.gz QMTCKVWWYMMOGS-CVEARBPZSA-N 2 1 359.474 0.848 10 0 FCAEMP COC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000365111033 489039680 /nfs/dbraw/zinc/03/96/80/489039680.db2.gz OCMKMNFZCAHFFK-IXDOHACOSA-N 2 1 357.495 0.243 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+]1C ZINC000369859530 489282740 /nfs/dbraw/zinc/28/27/40/489282740.db2.gz BNKLMCVGZQFYFC-KZNAEPCWSA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000369859530 489282743 /nfs/dbraw/zinc/28/27/43/489282743.db2.gz BNKLMCVGZQFYFC-KZNAEPCWSA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+]1C ZINC000369859530 489282745 /nfs/dbraw/zinc/28/27/45/489282745.db2.gz BNKLMCVGZQFYFC-KZNAEPCWSA-N 2 1 367.538 0.517 10 0 FCAEMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000285944673 489336988 /nfs/dbraw/zinc/33/69/88/489336988.db2.gz IDGYNYCSXVFMQQ-HOCLYGCPSA-N 2 1 359.474 0.778 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)CC1 ZINC000286009840 489345846 /nfs/dbraw/zinc/34/58/46/489345846.db2.gz JFOSWBHXTNVGCH-KRWDZBQOSA-N 2 1 360.458 0.320 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000451459704 489505195 /nfs/dbraw/zinc/50/51/95/489505195.db2.gz IFKFJNBYRVPVCY-AHCXZYCDSA-N 2 1 353.507 0.863 10 0 FCAEMP COCC(C)(C)N1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000425885281 489540558 /nfs/dbraw/zinc/54/05/58/489540558.db2.gz LKIQQFFMZJLLIJ-UHFFFAOYSA-N 2 1 366.506 0.324 10 0 FCAEMP COCC(C)(C)N1CCN(C(=O)C(=O)NCCN2CC=C(C)CC2)CC1 ZINC000425885281 489540560 /nfs/dbraw/zinc/54/05/60/489540560.db2.gz LKIQQFFMZJLLIJ-UHFFFAOYSA-N 2 1 366.506 0.324 10 0 FCAEMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000415793798 489553847 /nfs/dbraw/zinc/55/38/47/489553847.db2.gz WTQYFYAXBDOIIA-SFHVURJKSA-N 2 1 366.437 0.726 10 0 FCAEMP O=C(NCCN1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000416888707 489633208 /nfs/dbraw/zinc/63/32/08/489633208.db2.gz UWOIVLSMUBBZCM-UHFFFAOYSA-N 2 1 361.490 0.223 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CCO)C[C@H]3C)cc2)CC1 ZINC000457102685 489635675 /nfs/dbraw/zinc/63/56/75/489635675.db2.gz BPFNRMRWPZNJJH-QGZVFWFLSA-N 2 1 360.502 0.967 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)cc2)CC1 ZINC000457102685 489635676 /nfs/dbraw/zinc/63/56/76/489635676.db2.gz BPFNRMRWPZNJJH-QGZVFWFLSA-N 2 1 360.502 0.967 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417094855 489641247 /nfs/dbraw/zinc/64/12/47/489641247.db2.gz RKXSNESSGNKBMG-UHFFFAOYSA-N 2 1 355.527 0.470 10 0 FCAEMP COCC[N@H+](C)CCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417094855 489641250 /nfs/dbraw/zinc/64/12/50/489641250.db2.gz RKXSNESSGNKBMG-UHFFFAOYSA-N 2 1 355.527 0.470 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417094855 489641252 /nfs/dbraw/zinc/64/12/52/489641252.db2.gz RKXSNESSGNKBMG-UHFFFAOYSA-N 2 1 355.527 0.470 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000457514631 489648391 /nfs/dbraw/zinc/64/83/91/489648391.db2.gz MPXDUBGXQUCXTR-SJORKVTESA-N 2 1 356.511 0.489 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000457514631 489648394 /nfs/dbraw/zinc/64/83/94/489648394.db2.gz MPXDUBGXQUCXTR-SJORKVTESA-N 2 1 356.511 0.489 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000457514631 489648395 /nfs/dbraw/zinc/64/83/95/489648395.db2.gz MPXDUBGXQUCXTR-SJORKVTESA-N 2 1 356.511 0.489 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C[C@@H](C)O1 ZINC000457573100 489649590 /nfs/dbraw/zinc/64/95/90/489649590.db2.gz JAWHYJKKNBDXQM-ZACQAIPSSA-N 2 1 356.511 0.632 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417435710 489653703 /nfs/dbraw/zinc/65/37/03/489653703.db2.gz ZCGQQHMUGMNHEO-APWZRJJASA-N 2 1 365.522 0.714 10 0 FCAEMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000458367635 489679046 /nfs/dbraw/zinc/67/90/46/489679046.db2.gz WMLKRETUWRLWLK-OAHLLOKOSA-N 2 1 356.511 0.584 10 0 FCAEMP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000458367635 489679049 /nfs/dbraw/zinc/67/90/49/489679049.db2.gz WMLKRETUWRLWLK-OAHLLOKOSA-N 2 1 356.511 0.584 10 0 FCAEMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418838313 489749273 /nfs/dbraw/zinc/74/92/73/489749273.db2.gz UYTJAFQYNUFGJL-INIZCTEOSA-N 2 1 366.506 0.396 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)CC1 ZINC000418874584 489770047 /nfs/dbraw/zinc/77/00/47/489770047.db2.gz JGEOONWYUWXSRF-KRWDZBQOSA-N 2 1 374.485 0.769 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000418879915 489772290 /nfs/dbraw/zinc/77/22/90/489772290.db2.gz OEFLQHSKOZWCBK-JCGIZDLHSA-N 2 1 372.469 0.649 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC[N@H+]2C2CC2)c1 ZINC000418879915 489772294 /nfs/dbraw/zinc/77/22/94/489772294.db2.gz OEFLQHSKOZWCBK-JCGIZDLHSA-N 2 1 372.469 0.649 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418883937 489774826 /nfs/dbraw/zinc/77/48/26/489774826.db2.gz VXYRKSZLEAVHHP-SJORKVTESA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418883937 489774829 /nfs/dbraw/zinc/77/48/29/489774829.db2.gz VXYRKSZLEAVHHP-SJORKVTESA-N 2 1 374.485 0.943 10 0 FCAEMP CN1CC[C@@H](NC(=O)C(=O)N2CCNCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000418899111 489781133 /nfs/dbraw/zinc/78/11/33/489781133.db2.gz BMAURERCPISJOI-CABCVRRESA-N 2 1 350.850 0.633 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000418900696 489782608 /nfs/dbraw/zinc/78/26/08/489782608.db2.gz DJRNYTDGDRLXCC-VDHUWJSZSA-N 2 1 358.486 0.991 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737187 489788178 /nfs/dbraw/zinc/78/81/78/489788178.db2.gz PHAAIFPMEVKXDR-AEFFLSMTSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737187 489788181 /nfs/dbraw/zinc/78/81/81/489788181.db2.gz PHAAIFPMEVKXDR-AEFFLSMTSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000376737187 489788184 /nfs/dbraw/zinc/78/81/84/489788184.db2.gz PHAAIFPMEVKXDR-AEFFLSMTSA-N 2 1 353.507 0.960 10 0 FCAEMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418914328 489788873 /nfs/dbraw/zinc/78/88/73/489788873.db2.gz OKYBBQKMWYHTLG-SFHVURJKSA-N 2 1 374.485 0.393 10 0 FCAEMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418917186 489790867 /nfs/dbraw/zinc/79/08/67/489790867.db2.gz YGYGFYUXJHMPKF-SVGFKBNWSA-N 2 1 374.485 0.777 10 0 FCAEMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000418942173 489798182 /nfs/dbraw/zinc/79/81/82/489798182.db2.gz AKBNCSUGKOEJLL-CSNJMZFVSA-N 2 1 356.470 0.776 10 0 FCAEMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000419058020 489838329 /nfs/dbraw/zinc/83/83/29/489838329.db2.gz PDGMQTACMZOYOQ-IAGOWNOFSA-N 2 1 362.474 0.105 10 0 FCAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000419093218 489853672 /nfs/dbraw/zinc/85/36/72/489853672.db2.gz YCXMOADLZVWYKQ-KFWWJZLASA-N 2 1 354.495 0.249 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420105817 489914052 /nfs/dbraw/zinc/91/40/52/489914052.db2.gz SYOJBLNGYCKSLG-AEFFLSMTSA-N 2 1 358.486 0.488 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000420110938 489915699 /nfs/dbraw/zinc/91/56/99/489915699.db2.gz ZWMIMXYJJJXGNV-OAGGEKHMSA-N 2 1 354.495 0.060 10 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/nfs/dbraw/zinc/88/45/65/492884565.db2.gz ISRXOBQOZOEQCR-MRXNPFEDSA-N 2 1 358.552 0.512 10 0 FCAEMP C[NH+](C)C1(CS(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000631919463 492884568 /nfs/dbraw/zinc/88/45/68/492884568.db2.gz ISRXOBQOZOEQCR-MRXNPFEDSA-N 2 1 358.552 0.512 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000652150368 492888225 /nfs/dbraw/zinc/88/82/25/492888225.db2.gz UJRGYUWSCQPPIZ-UHFFFAOYSA-N 2 1 361.490 0.758 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652169517 492890004 /nfs/dbraw/zinc/89/00/04/492890004.db2.gz DIGVHYZPVNODLC-QBPKDAKJSA-N 2 1 354.495 0.635 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000626011719 492914330 /nfs/dbraw/zinc/91/43/30/492914330.db2.gz WASHUHBIGYWDEC-JENIJYKNSA-N 2 1 353.507 0.554 10 0 FCAEMP CN1CCO[C@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638276323 492927192 /nfs/dbraw/zinc/92/71/92/492927192.db2.gz MYASJJXUMQNGKB-GOSISDBHSA-N 2 1 360.502 0.817 10 0 FCAEMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000645622641 492946895 /nfs/dbraw/zinc/94/68/95/492946895.db2.gz OKGPNBCZYKRNPX-YOEHRIQHSA-N 2 1 360.458 0.728 10 0 FCAEMP COc1c[nH+]ccc1N1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632297395 492967993 /nfs/dbraw/zinc/96/79/93/492967993.db2.gz BFWQISDMYNHQNV-UHFFFAOYSA-N 2 1 354.476 0.636 10 0 FCAEMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)C1 ZINC000646002813 492999408 /nfs/dbraw/zinc/99/94/08/492999408.db2.gz FXPGLGGRNVLYQW-JKSUJKDBSA-N 2 1 361.494 0.055 10 0 FCAEMP [NH3+]C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000646009525 492999853 /nfs/dbraw/zinc/99/98/53/492999853.db2.gz PJOUHMFNWCPXMO-ROUUACIJSA-N 2 1 364.465 0.391 10 0 FCAEMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009386 493000096 /nfs/dbraw/zinc/00/00/96/493000096.db2.gz GFSFQSDLJPTQMS-FGTMMUONSA-N 2 1 352.523 0.807 10 0 FCAEMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646023068 493003018 /nfs/dbraw/zinc/00/30/18/493003018.db2.gz KTUAUYUIPIIZJX-UYAOXDASSA-N 2 1 361.486 0.803 10 0 FCAEMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646023068 493003020 /nfs/dbraw/zinc/00/30/20/493003020.db2.gz KTUAUYUIPIIZJX-UYAOXDASSA-N 2 1 361.486 0.803 10 0 FCAEMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658700869 493015601 /nfs/dbraw/zinc/01/56/01/493015601.db2.gz QCBAAEKQIJAGEX-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658700869 493015603 /nfs/dbraw/zinc/01/56/03/493015603.db2.gz QCBAAEKQIJAGEX-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658700869 493015605 /nfs/dbraw/zinc/01/56/05/493015605.db2.gz QCBAAEKQIJAGEX-GJZGRUSLSA-N 2 1 368.522 0.279 10 0 FCAEMP 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CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626805336 493022703 /nfs/dbraw/zinc/02/27/03/493022703.db2.gz HNQWADIHYSEBNK-MRXNPFEDSA-N 2 1 360.458 0.906 10 0 FCAEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626805336 493022705 /nfs/dbraw/zinc/02/27/05/493022705.db2.gz HNQWADIHYSEBNK-MRXNPFEDSA-N 2 1 360.458 0.906 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626964360 493071287 /nfs/dbraw/zinc/07/12/87/493071287.db2.gz QIEALIGQJNBNCM-CABCVRRESA-N 2 1 351.495 0.513 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000626971370 493071953 /nfs/dbraw/zinc/07/19/53/493071953.db2.gz GAIXBPREGOYCOG-JCGIZDLHSA-N 2 1 373.501 0.934 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000626979442 493073822 /nfs/dbraw/zinc/07/38/22/493073822.db2.gz BOYROBBLDKSYGJ-JKSUJKDBSA-N 2 1 356.511 0.931 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCOCCC[NH3+] 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WMFPYUQBTGZWLV-GOEBONIOSA-N 2 1 351.495 0.323 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)CCCCC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000646919852 493126068 /nfs/dbraw/zinc/12/60/68/493126068.db2.gz MDZJCLXDMZCGHI-FZDBZEDMSA-N 2 1 362.518 0.872 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)CCCCC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646919852 493126072 /nfs/dbraw/zinc/12/60/72/493126072.db2.gz MDZJCLXDMZCGHI-FZDBZEDMSA-N 2 1 362.518 0.872 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)CCCCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000646919852 493126075 /nfs/dbraw/zinc/12/60/75/493126075.db2.gz MDZJCLXDMZCGHI-FZDBZEDMSA-N 2 1 362.518 0.872 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccccc1 ZINC000627297319 493139375 /nfs/dbraw/zinc/13/93/75/493139375.db2.gz HJWZLFIWWBVQJB-GVDBMIGSSA-N 2 1 356.470 0.949 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297407 493140666 /nfs/dbraw/zinc/14/06/66/493140666.db2.gz JEXLOQFFTCSPLS-HUUCEWRRSA-N 2 1 354.495 0.108 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627297606 493140709 /nfs/dbraw/zinc/14/07/09/493140709.db2.gz OFNVRHUKKUOEKF-HOTGVXAUSA-N 2 1 360.458 0.172 10 0 FCAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627312424 493146911 /nfs/dbraw/zinc/14/69/11/493146911.db2.gz YILMOWHTFFQYLN-QKPAOTATSA-N 2 1 350.507 0.870 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000627313686 493147473 /nfs/dbraw/zinc/14/74/73/493147473.db2.gz KQRAQUSVXSMXBQ-LTIDMASMSA-N 2 1 368.522 0.496 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000627319957 493151088 /nfs/dbraw/zinc/15/10/88/493151088.db2.gz LVFJHSIMDDPBMK-RVKKMQEKSA-N 2 1 374.485 0.390 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000627319957 493151093 /nfs/dbraw/zinc/15/10/93/493151093.db2.gz LVFJHSIMDDPBMK-RVKKMQEKSA-N 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C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366873 493181362 /nfs/dbraw/zinc/18/13/62/493181362.db2.gz DQQUSMLKAYKOQH-LMSBXDPUSA-N 2 1 358.486 0.880 10 0 FCAEMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828413 493188041 /nfs/dbraw/zinc/18/80/41/493188041.db2.gz NNAFYLIXQJKBAL-OJAHFUOMSA-N 2 1 372.513 0.516 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659472863 493188731 /nfs/dbraw/zinc/18/87/31/493188731.db2.gz DBYJZFMSOOJCJW-WMLDXEAASA-N 2 1 356.430 0.886 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506710 493202284 /nfs/dbraw/zinc/20/22/84/493202284.db2.gz AGINKDOCIWPYOH-LJQANCHMSA-N 2 1 374.533 0.007 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506710 493202291 /nfs/dbraw/zinc/20/22/91/493202291.db2.gz AGINKDOCIWPYOH-LJQANCHMSA-N 2 1 374.533 0.007 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000654067066 493207044 /nfs/dbraw/zinc/20/70/44/493207044.db2.gz JEFDSKSFOXITJX-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659626195 493221547 /nfs/dbraw/zinc/22/15/47/493221547.db2.gz GIRRQOXKKOXFIG-MSOLQXFVSA-N 2 1 361.490 0.172 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659626195 493221551 /nfs/dbraw/zinc/22/15/51/493221551.db2.gz GIRRQOXKKOXFIG-MSOLQXFVSA-N 2 1 361.490 0.172 10 0 FCAEMP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666944834 493240346 /nfs/dbraw/zinc/24/03/46/493240346.db2.gz QGGRCYGGROXLQM-INMHGKMJSA-N 2 1 354.495 0.242 10 0 FCAEMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659680627 493248221 /nfs/dbraw/zinc/24/82/21/493248221.db2.gz OSPBCLBIFYDWMW-UHFFFAOYSA-N 2 1 372.469 0.003 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659682844 493249544 /nfs/dbraw/zinc/24/95/44/493249544.db2.gz OZCJLEIMDOBLGP-MVBZYYNJSA-N 2 1 356.470 0.888 10 0 FCAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659682846 493250263 /nfs/dbraw/zinc/25/02/63/493250263.db2.gz OZCJLEIMDOBLGP-VWZCOVNWSA-N 2 1 356.470 0.888 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000659689245 493254341 /nfs/dbraw/zinc/25/43/41/493254341.db2.gz XWHUONRKTBIXBE-MPQSDHOMSA-N 2 1 370.497 0.617 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000659694225 493257864 /nfs/dbraw/zinc/25/78/64/493257864.db2.gz SALPAKLWYARKRI-DJIMGWMZSA-N 2 1 362.518 0.966 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659697109 493258597 /nfs/dbraw/zinc/25/85/97/493258597.db2.gz OVLKPADTBANIJY-JJXOGSGTSA-N 2 1 370.497 0.963 10 0 FCAEMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[NH+]2CCCC2)o1 ZINC000659698257 493259531 /nfs/dbraw/zinc/25/95/31/493259531.db2.gz DQQAARLSKNWBFE-XAUUPUKJSA-N 2 1 360.458 0.709 10 0 FCAEMP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659715357 493268450 /nfs/dbraw/zinc/26/84/50/493268450.db2.gz PAKQEBDHQGVDHG-NVXWUHKLSA-N 2 1 358.486 0.868 10 0 FCAEMP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659741284 493280883 /nfs/dbraw/zinc/28/08/83/493280883.db2.gz SUCAAAQKPKKKRN-QGZVFWFLSA-N 2 1 358.486 0.822 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000659743344 493282682 /nfs/dbraw/zinc/28/26/82/493282682.db2.gz YRTCOKHVXCYTFW-OIISXLGYSA-N 2 1 350.507 0.951 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(C(C)(C)C)n1 ZINC000667811415 493303381 /nfs/dbraw/zinc/30/33/81/493303381.db2.gz LNTGJFRPGDITBH-AWEZNQCLSA-N 2 1 351.499 0.916 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000660090045 493323415 /nfs/dbraw/zinc/32/34/15/493323415.db2.gz GVSZTWFCMUWGQS-KRWDZBQOSA-N 2 1 367.515 0.968 10 0 FCAEMP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668511679 493367846 /nfs/dbraw/zinc/36/78/46/493367846.db2.gz GRKQILSRYFFVQI-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668511679 493367849 /nfs/dbraw/zinc/36/78/49/493367849.db2.gz GRKQILSRYFFVQI-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000668511679 493367852 /nfs/dbraw/zinc/36/78/52/493367852.db2.gz GRKQILSRYFFVQI-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668511685 493367932 /nfs/dbraw/zinc/36/79/32/493367932.db2.gz GRKQILSRYFFVQI-QGZVFWFLSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000668511685 493367933 /nfs/dbraw/zinc/36/79/33/493367933.db2.gz GRKQILSRYFFVQI-QGZVFWFLSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000668511685 493367936 /nfs/dbraw/zinc/36/79/36/493367936.db2.gz GRKQILSRYFFVQI-QGZVFWFLSA-N 2 1 367.538 0.073 10 0 FCAEMP C[NH+](C/C=C\C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648772 493369641 /nfs/dbraw/zinc/36/96/41/493369641.db2.gz WZVGTUKSTTXHHO-QKTWIXTGSA-N 2 1 364.534 0.352 10 0 FCAEMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000660648772 493369643 /nfs/dbraw/zinc/36/96/43/493369643.db2.gz WZVGTUKSTTXHHO-QKTWIXTGSA-N 2 1 364.534 0.352 10 0 FCAEMP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000660648772 493369645 /nfs/dbraw/zinc/36/96/45/493369645.db2.gz WZVGTUKSTTXHHO-QKTWIXTGSA-N 2 1 364.534 0.352 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C/C=C/CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000660826118 493382669 /nfs/dbraw/zinc/38/26/69/493382669.db2.gz ZFUCPCILDCMBAC-ZFTSPJNCSA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C/C=C/CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000660826118 493382671 /nfs/dbraw/zinc/38/26/71/493382671.db2.gz ZFUCPCILDCMBAC-ZFTSPJNCSA-N 2 1 368.566 0.316 10 0 FCAEMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C/C=C/CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000660826118 493382674 /nfs/dbraw/zinc/38/26/74/493382674.db2.gz ZFUCPCILDCMBAC-ZFTSPJNCSA-N 2 1 368.566 0.316 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000668610255 493383978 /nfs/dbraw/zinc/38/39/78/493383978.db2.gz RCUATLBCLRRKEG-ZWKOTPCHSA-N 2 1 360.502 0.876 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668789154 493410992 /nfs/dbraw/zinc/41/09/92/493410992.db2.gz PFAIGRWHBCBWEN-MRXNPFEDSA-N 2 1 368.522 0.593 10 0 FCAEMP C(=C\C[N@H+]1CC[C@@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143369 493411879 /nfs/dbraw/zinc/41/18/79/493411879.db2.gz UBGRGVBBHJIHJJ-OEHAVNEVSA-N 2 1 356.478 0.770 10 0 FCAEMP C(=C\C[N@@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143369 493411881 /nfs/dbraw/zinc/41/18/81/493411881.db2.gz UBGRGVBBHJIHJJ-OEHAVNEVSA-N 2 1 356.478 0.770 10 0 FCAEMP C(=C\C[N@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143369 493411884 /nfs/dbraw/zinc/41/18/84/493411884.db2.gz UBGRGVBBHJIHJJ-OEHAVNEVSA-N 2 1 356.478 0.770 10 0 FCAEMP C[C@H](CC[N@H+]1CC[C@H](Cn2ccnn2)C1)[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146159 493411922 /nfs/dbraw/zinc/41/19/22/493411922.db2.gz RXFGWNBBVQGNCU-FGTMMUONSA-N 2 1 358.494 0.992 10 0 FCAEMP C[C@H](CC[NH+]1CC[C@H](Cn2ccnn2)C1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146159 493411924 /nfs/dbraw/zinc/41/19/24/493411924.db2.gz RXFGWNBBVQGNCU-FGTMMUONSA-N 2 1 358.494 0.992 10 0 FCAEMP C[C@H](CC[NH+]1CC[C@H](Cn2ccnn2)C1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146159 493411927 /nfs/dbraw/zinc/41/19/27/493411927.db2.gz RXFGWNBBVQGNCU-FGTMMUONSA-N 2 1 358.494 0.992 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668795052 493412925 /nfs/dbraw/zinc/41/29/25/493412925.db2.gz VEBGRMJZKLPDLY-DLBZAZTESA-N 2 1 368.522 0.546 10 0 FCAEMP O=C(C[NH2+][C@H](CO)C1CCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661157042 493413504 /nfs/dbraw/zinc/41/35/04/493413504.db2.gz XCNOICJIVMMRAV-QGZVFWFLSA-N 2 1 353.507 0.888 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2[C@@H](C)CO)C1 ZINC000661431031 493437110 /nfs/dbraw/zinc/43/71/10/493437110.db2.gz BEGBUJNVVIIVAT-KSZLIROESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)C1 ZINC000661431031 493437113 /nfs/dbraw/zinc/43/71/13/493437113.db2.gz BEGBUJNVVIIVAT-KSZLIROESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)CO)C1 ZINC000661431031 493437116 /nfs/dbraw/zinc/43/71/16/493437116.db2.gz BEGBUJNVVIIVAT-KSZLIROESA-N 2 1 355.523 0.942 10 0 FCAEMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758364 493444793 /nfs/dbraw/zinc/44/47/93/493444793.db2.gz KPSBVSXOWIQKAM-DLBZAZTESA-N 2 1 358.552 0.370 10 0 FCAEMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)C1 ZINC000674758364 493444796 /nfs/dbraw/zinc/44/47/96/493444796.db2.gz KPSBVSXOWIQKAM-DLBZAZTESA-N 2 1 358.552 0.370 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000669144727 493468529 /nfs/dbraw/zinc/46/85/29/493468529.db2.gz UKBNPDSDDSCONM-GDBMZVCRSA-N 2 1 368.522 0.137 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685342464 493481416 /nfs/dbraw/zinc/48/14/16/493481416.db2.gz HZJKXQFHAZCWRJ-GVDBMIGSSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342464 493481418 /nfs/dbraw/zinc/48/14/18/493481418.db2.gz HZJKXQFHAZCWRJ-GVDBMIGSSA-N 2 1 366.506 0.299 10 0 FCAEMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)CC2 ZINC000685342174 493481660 /nfs/dbraw/zinc/48/16/60/493481660.db2.gz YPGZFTCZVQOPNS-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)CC2 ZINC000685342174 493481662 /nfs/dbraw/zinc/48/16/62/493481662.db2.gz YPGZFTCZVQOPNS-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000685342174 493481664 /nfs/dbraw/zinc/48/16/64/493481664.db2.gz YPGZFTCZVQOPNS-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000685342174 493481665 /nfs/dbraw/zinc/48/16/65/493481665.db2.gz YPGZFTCZVQOPNS-WCXIOVBPSA-N 2 1 366.506 0.295 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675536390 493488098 /nfs/dbraw/zinc/48/80/98/493488098.db2.gz HWWUKIDHVXYZPM-INIZCTEOSA-N 2 1 351.495 0.276 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675536390 493488100 /nfs/dbraw/zinc/48/81/00/493488100.db2.gz HWWUKIDHVXYZPM-INIZCTEOSA-N 2 1 351.495 0.276 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1=O ZINC000662134531 493491602 /nfs/dbraw/zinc/49/16/02/493491602.db2.gz KCCGFULUYJXLPS-GOSISDBHSA-N 2 1 373.501 0.676 10 0 FCAEMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279878 493502700 /nfs/dbraw/zinc/50/27/00/493502700.db2.gz MYOXHHWCVBOMEY-HZPDHXFCSA-N 2 1 357.520 0.834 10 0 FCAEMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279878 493502705 /nfs/dbraw/zinc/50/27/05/493502705.db2.gz MYOXHHWCVBOMEY-HZPDHXFCSA-N 2 1 357.520 0.834 10 0 FCAEMP CCOCCNC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338438 493507830 /nfs/dbraw/zinc/50/78/30/493507830.db2.gz RHCLEJLTJWEVHB-HNNXBMFYSA-N 2 1 364.494 0.151 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338438 493507832 /nfs/dbraw/zinc/50/78/32/493507832.db2.gz RHCLEJLTJWEVHB-HNNXBMFYSA-N 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MSIBXPRSDUHPFQ-IXDOHACOSA-N 2 1 356.511 0.896 10 0 FCAEMP C[NH+]1CCN([C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000923596551 666642101 /nfs/dbraw/zinc/64/21/01/666642101.db2.gz HHHHIPFSIORIJC-CABCVRRESA-N 2 1 372.560 0.708 10 0 FCAEMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCOCC1 ZINC000918664518 667130569 /nfs/dbraw/zinc/13/05/69/667130569.db2.gz HAWQTOIOQHZHBW-HUUCEWRRSA-N 2 1 356.536 0.976 10 0 FCAEMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC1(C)C ZINC000922347338 667641038 /nfs/dbraw/zinc/64/10/38/667641038.db2.gz OWGCKBKZSQFFOT-CVEARBPZSA-N 2 1 369.579 0.891 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1(C)C ZINC000922347338 667641044 /nfs/dbraw/zinc/64/10/44/667641044.db2.gz OWGCKBKZSQFFOT-CVEARBPZSA-N 2 1 369.579 0.891 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1(C)C ZINC000922347338 667641047 /nfs/dbraw/zinc/64/10/47/667641047.db2.gz OWGCKBKZSQFFOT-CVEARBPZSA-N 2 1 369.579 0.891 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001489231173 1208710495 /nfs/dbraw/zinc/71/04/95/1208710495.db2.gz KCFYAJSICPLNAG-QLFBSQMISA-N 2 1 367.494 0.272 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](CC)CC ZINC001489290797 1208721106 /nfs/dbraw/zinc/72/11/06/1208721106.db2.gz FNLNMGXNHSAJIY-ILXRZTDVSA-N 2 1 367.494 0.238 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC001489309182 1208744166 /nfs/dbraw/zinc/74/41/66/1208744166.db2.gz LKOOJVJXTNDIFJ-NUJGCVRESA-N 2 1 369.506 0.218 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC001489309182 1208744168 /nfs/dbraw/zinc/74/41/68/1208744168.db2.gz LKOOJVJXTNDIFJ-NUJGCVRESA-N 2 1 369.506 0.218 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001489370709 1208795492 /nfs/dbraw/zinc/79/54/92/1208795492.db2.gz XGAIVZYOHGMYIB-DLBZAZTESA-N 2 1 362.474 0.406 10 0 FCAEMP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O)C1CCC1 ZINC001489361802 1208822033 /nfs/dbraw/zinc/82/20/33/1208822033.db2.gz HHLBNTCPJKLTTQ-HZPDHXFCSA-N 2 1 366.506 0.033 10 0 FCAEMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001489524179 1208879216 /nfs/dbraw/zinc/87/92/16/1208879216.db2.gz WPXBMRKNDJWSPR-KLHDSHLOSA-N 2 1 354.495 0.010 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489486211 1208886289 /nfs/dbraw/zinc/88/62/89/1208886289.db2.gz TYPKCKJBNGXDNM-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489486211 1208886292 /nfs/dbraw/zinc/88/62/92/1208886292.db2.gz TYPKCKJBNGXDNM-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001490329823 1209320886 /nfs/dbraw/zinc/32/08/86/1209320886.db2.gz XNPXJNVAKQLEBE-NVXWUHKLSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001490329823 1209320893 /nfs/dbraw/zinc/32/08/93/1209320893.db2.gz XNPXJNVAKQLEBE-NVXWUHKLSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC1CCOCC1 ZINC001490329823 1209320896 /nfs/dbraw/zinc/32/08/96/1209320896.db2.gz XNPXJNVAKQLEBE-NVXWUHKLSA-N 2 1 368.522 0.450 10 0 FCAEMP COCCOC[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001490407361 1209344915 /nfs/dbraw/zinc/34/49/15/1209344915.db2.gz LMWLGYDCAYIAHP-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3cnsn3)CC2)CC[N@@H+]1C ZINC001490465879 1209354950 /nfs/dbraw/zinc/35/49/50/1209354950.db2.gz CZOBUAFSLIZOCK-GDBMZVCRSA-N 2 1 366.535 0.502 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3cnsn3)CC2)CC[N@H+]1C ZINC001490465879 1209354952 /nfs/dbraw/zinc/35/49/52/1209354952.db2.gz CZOBUAFSLIZOCK-GDBMZVCRSA-N 2 1 366.535 0.502 10 0 FCAEMP C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1 ZINC001490458830 1209364610 /nfs/dbraw/zinc/36/46/10/1209364610.db2.gz GKQZLJWYRVFAEE-BRWVUGGUSA-N 2 1 352.523 0.881 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+](Cc2ccccc2)C1 ZINC000851687061 1209513551 /nfs/dbraw/zinc/51/35/51/1209513551.db2.gz YLOWNYSELQNFDI-TWMPVWRBSA-N 2 1 370.497 0.883 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763245 1209519481 /nfs/dbraw/zinc/51/94/81/1209519481.db2.gz MYTIPYICWFXNOT-ICSRJNTNSA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763245 1209519493 /nfs/dbraw/zinc/51/94/93/1209519493.db2.gz MYTIPYICWFXNOT-ICSRJNTNSA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763245 1209519506 /nfs/dbraw/zinc/51/95/06/1209519506.db2.gz MYTIPYICWFXNOT-ICSRJNTNSA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763244 1209520086 /nfs/dbraw/zinc/52/00/86/1209520086.db2.gz MYTIPYICWFXNOT-AZUAARDMSA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763244 1209520091 /nfs/dbraw/zinc/52/00/91/1209520091.db2.gz MYTIPYICWFXNOT-AZUAARDMSA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851763244 1209520100 /nfs/dbraw/zinc/52/01/00/1209520100.db2.gz MYTIPYICWFXNOT-AZUAARDMSA-N 2 1 360.502 0.461 10 0 FCAEMP C[N@@H+](CCN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000852867258 1209569277 /nfs/dbraw/zinc/56/92/77/1209569277.db2.gz SJSIMDIXTMDZTQ-KRWDZBQOSA-N 2 1 359.474 0.366 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)c2)C1 ZINC000852866171 1209569785 /nfs/dbraw/zinc/56/97/85/1209569785.db2.gz UJWPPIYTSXFGMQ-CVEARBPZSA-N 2 1 373.457 0.104 10 0 FCAEMP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000852903347 1209574098 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C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001119776144 1221969170 /nfs/dbraw/zinc/96/91/70/1221969170.db2.gz HQCXXWSPIRVHPD-YVSFHVDLSA-N 2 1 366.506 0.033 10 0 FCAEMP C/C(=C\C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001124003639 1222375456 /nfs/dbraw/zinc/37/54/56/1222375456.db2.gz RAFOBQGDHFCKNP-UVGVMUDHSA-N 2 1 374.529 0.846 10 0 FCAEMP C/C(=C\C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001124003639 1222375460 /nfs/dbraw/zinc/37/54/60/1222375460.db2.gz RAFOBQGDHFCKNP-UVGVMUDHSA-N 2 1 374.529 0.846 10 0 FCAEMP C/C(=C\C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001124003639 1222375461 /nfs/dbraw/zinc/37/54/61/1222375461.db2.gz RAFOBQGDHFCKNP-UVGVMUDHSA-N 2 1 374.529 0.846 10 0 FCAEMP C/C(=C\C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001124003637 1222375608 /nfs/dbraw/zinc/37/56/08/1222375608.db2.gz RAFOBQGDHFCKNP-HYSQRLIDSA-N 2 1 374.529 0.846 10 0 FCAEMP C/C(=C\C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001124003637 1222375613 /nfs/dbraw/zinc/37/56/13/1222375613.db2.gz RAFOBQGDHFCKNP-HYSQRLIDSA-N 2 1 374.529 0.846 10 0 FCAEMP C/C(=C\C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001124003637 1222375617 /nfs/dbraw/zinc/37/56/17/1222375617.db2.gz RAFOBQGDHFCKNP-HYSQRLIDSA-N 2 1 374.529 0.846 10 0 FCAEMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848932335 1245388055 /nfs/dbraw/zinc/38/80/55/1245388055.db2.gz NSRZVGONUYPPAG-FZNQNYSPSA-N 2 1 370.457 0.648 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849563558 1245402090 /nfs/dbraw/zinc/40/20/90/1245402090.db2.gz KYRSNMWAFYVZDV-KURKYZTESA-N 2 1 363.506 0.371 10 0 FCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849563558 1245402092 /nfs/dbraw/zinc/40/20/92/1245402092.db2.gz KYRSNMWAFYVZDV-KURKYZTESA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cn1 ZINC000849590652 1245404826 /nfs/dbraw/zinc/40/48/26/1245404826.db2.gz CKTDDKFCIFWVJW-FGTMMUONSA-N 2 1 363.506 0.418 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)c1cc[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922170257 1245662491 /nfs/dbraw/zinc/66/24/91/1245662491.db2.gz WRVHMAFXERSBIF-GJZGRUSLSA-N 2 1 361.490 0.592 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922170257 1245662500 /nfs/dbraw/zinc/66/25/00/1245662500.db2.gz WRVHMAFXERSBIF-GJZGRUSLSA-N 2 1 361.490 0.592 10 0 FCAEMP CC[NH+]1CC[C@H]1CNC(=O)Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922170257 1245662508 /nfs/dbraw/zinc/66/25/08/1245662508.db2.gz WRVHMAFXERSBIF-GJZGRUSLSA-N 2 1 361.490 0.592 10 0 FCAEMP Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000923416795 1245717278 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CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001565885307 1269503943 /nfs/dbraw/zinc/50/39/43/1269503943.db2.gz WDFCSQPDJLWRRG-KSZLIROESA-N 2 1 358.486 0.801 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001565979610 1269538591 /nfs/dbraw/zinc/53/85/91/1269538591.db2.gz XXMBBYFZCSQPPO-CVEARBPZSA-N 2 1 361.552 0.978 10 0 FCAEMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1)[NH+]1CCCC1 ZINC001566048060 1269580794 /nfs/dbraw/zinc/58/07/94/1269580794.db2.gz ZATHQKDIIYNIOM-SJORKVTESA-N 2 1 353.507 0.650 10 0 FCAEMP COCCC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001566051727 1269585235 /nfs/dbraw/zinc/58/52/35/1269585235.db2.gz CWMQNRDMHLUECD-SJORKVTESA-N 2 1 353.507 0.914 10 0 FCAEMP C[C@@H](C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001566101818 1269604415 /nfs/dbraw/zinc/60/44/15/1269604415.db2.gz CALLJYLSHVLNNR-LZWOXQAQSA-N 2 1 359.536 0.588 10 0 FCAEMP 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CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)CC[N@@H+](C)CC ZINC001684957662 1292383348 /nfs/dbraw/zinc/38/33/48/1292383348.db2.gz VDPXOXVVDMQARU-DLBZAZTESA-N 2 1 368.522 0.546 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001685078289 1292419483 /nfs/dbraw/zinc/41/94/83/1292419483.db2.gz GVZKUINBBSZICK-SJORKVTESA-N 2 1 350.507 0.729 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC001685104120 1292428784 /nfs/dbraw/zinc/42/87/84/1292428784.db2.gz CYXBAFFSQNCGGK-SJORKVTESA-N 2 1 364.534 0.977 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001685535847 1292550662 /nfs/dbraw/zinc/55/06/62/1292550662.db2.gz FBPNOUNZHDWADC-FCEWJHQRSA-N 2 1 350.507 0.587 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001685535848 1292550854 /nfs/dbraw/zinc/55/08/54/1292550854.db2.gz FBPNOUNZHDWADC-MDZRGWNJSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001685570276 1292561241 /nfs/dbraw/zinc/56/12/41/1292561241.db2.gz KHEIUOYMYNZEJJ-QFBILLFUSA-N 2 1 352.523 0.977 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C3)C1 ZINC001686185228 1292806675 /nfs/dbraw/zinc/80/66/75/1292806675.db2.gz ARNNLJWGRWRRLA-NCOADZHNSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C3)C1 ZINC001686185228 1292806692 /nfs/dbraw/zinc/80/66/92/1292806692.db2.gz ARNNLJWGRWRRLA-NCOADZHNSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C3)C1 ZINC001686185228 1292806711 /nfs/dbraw/zinc/80/67/11/1292806711.db2.gz ARNNLJWGRWRRLA-NCOADZHNSA-N 2 1 366.506 0.295 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C(C)C)C3)C1 ZINC001686185228 1292806724 /nfs/dbraw/zinc/80/67/24/1292806724.db2.gz ARNNLJWGRWRRLA-NCOADZHNSA-N 2 1 366.506 0.295 10 0 FCAEMP 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CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001264617160 859400414 /nfs/dbraw/zinc/40/04/14/859400414.db2.gz CKCULHUREJVLQL-HRCADAONSA-N 2 1 359.536 0.732 10 0 FCAEMP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264647399 859412238 /nfs/dbraw/zinc/41/22/38/859412238.db2.gz BHNCIUCSTOPLDY-SJORKVTESA-N 2 1 350.463 0.635 10 0 FCAEMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001264647399 859412243 /nfs/dbraw/zinc/41/22/43/859412243.db2.gz BHNCIUCSTOPLDY-SJORKVTESA-N 2 1 350.463 0.635 10 0 FCAEMP CCN(C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C1CC1 ZINC001266514843 859483271 /nfs/dbraw/zinc/48/32/71/859483271.db2.gz WICMEBVIIWRBDW-BFYDXBDKSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001267583548 859510204 /nfs/dbraw/zinc/51/02/04/859510204.db2.gz SFLHATRKFBYLOT-BHYGNILZSA-N 2 1 350.507 0.776 10 0 FCAEMP 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COCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270051469 859636689 /nfs/dbraw/zinc/63/66/89/859636689.db2.gz WZCJNRZHUBELKI-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP COc1ncccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272168910 860105472 /nfs/dbraw/zinc/10/54/72/860105472.db2.gz NPRWEJNFZVZAEN-GDBMZVCRSA-N 2 1 350.463 0.341 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001272789738 860258624 /nfs/dbraw/zinc/25/86/24/860258624.db2.gz FCPARAQGGXRWRE-HZSPNIEDSA-N 2 1 355.483 0.047 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001273515034 860514992 /nfs/dbraw/zinc/51/49/92/860514992.db2.gz OPNQEMXLBMCKQW-UONOGXRCSA-N 2 1 352.483 0.119 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001274036378 860664079 /nfs/dbraw/zinc/66/40/79/860664079.db2.gz NISKXTDFRVQSBC-AXLMZEGOSA-N 2 1 371.547 0.804 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](C2CC2)N(C)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001280962380 863460506 /nfs/dbraw/zinc/46/05/06/863460506.db2.gz XWDISQCDDTZCBS-OIISXLGYSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]CCC[C@H](C)O)CC2)CC[N@H+]1C ZINC001281612563 863538893 /nfs/dbraw/zinc/53/88/93/863538893.db2.gz BNRLUUXMPXISQZ-YESZJQIVSA-N 2 1 355.523 0.821 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001281972312 864012378 /nfs/dbraw/zinc/01/23/78/864012378.db2.gz FRYDOSPJWAJZQY-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001281972312 864012386 /nfs/dbraw/zinc/01/23/86/864012386.db2.gz FRYDOSPJWAJZQY-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001281972312 864012395 /nfs/dbraw/zinc/01/23/95/864012395.db2.gz FRYDOSPJWAJZQY-IXDOHACOSA-N 2 1 350.507 0.872 10 0 FCAEMP 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ZINC000285443741 213342034 /nfs/dbraw/zinc/34/20/34/213342034.db2.gz IKXCVJXLZZWFBE-YIONKMFJSA-N 2 1 374.489 0.381 10 0 FCAEMP O=C1NC(=O)[C@@]2(CCC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)N1 ZINC000285334204 213325626 /nfs/dbraw/zinc/32/56/26/213325626.db2.gz OQHLOZKIEKYACF-FQEVSTJZSA-N 2 1 371.485 0.873 10 0 FCAEMP O=C1NC(=O)[C@@]2(CCCN(CCC[NH+]3CCN(c4ccccc4)CC3)C2)N1 ZINC000285334204 213325630 /nfs/dbraw/zinc/32/56/30/213325630.db2.gz OQHLOZKIEKYACF-FQEVSTJZSA-N 2 1 371.485 0.873 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285322853 213323914 /nfs/dbraw/zinc/32/39/14/213323914.db2.gz XDGDQKBHQYEVTK-QGZVFWFLSA-N 2 1 360.502 0.828 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1)[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000931020455 674087769 /nfs/dbraw/zinc/08/77/69/674087769.db2.gz SXQPTMBQDMRNHK-RFLLJTPXSA-N 2 1 351.491 0.428 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2COC[C@]2(C)C1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000931020455 674087770 /nfs/dbraw/zinc/08/77/70/674087770.db2.gz SXQPTMBQDMRNHK-RFLLJTPXSA-N 2 1 351.491 0.428 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2COC[C@]2(C)C1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000931020455 674087771 /nfs/dbraw/zinc/08/77/71/674087771.db2.gz SXQPTMBQDMRNHK-RFLLJTPXSA-N 2 1 351.491 0.428 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1)[NH+]1C[C@H](C)[C@](C)(CO)C1 ZINC000931065362 674090425 /nfs/dbraw/zinc/09/04/25/674090425.db2.gz HWFCHCHALDXCEA-KWWJQKEASA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@H](C)[C@](C)(CO)C1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000931065362 674090428 /nfs/dbraw/zinc/09/04/28/674090428.db2.gz HWFCHCHALDXCEA-KWWJQKEASA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@H](C)[C@](C)(CO)C1)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000931065362 674090429 /nfs/dbraw/zinc/09/04/29/674090429.db2.gz HWFCHCHALDXCEA-KWWJQKEASA-N 2 1 355.523 0.392 10 0 FCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000367224173 216093040 /nfs/dbraw/zinc/09/30/40/216093040.db2.gz MKULDLMJLIABDE-KRWDZBQOSA-N 2 1 360.568 0.758 10 0 FCAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)[nH+]1 ZINC000246157445 209380810 /nfs/dbraw/zinc/38/08/10/209380810.db2.gz QMTCKVWWYMMOGS-HZPDHXFCSA-N 2 1 359.474 0.848 10 0 FCAEMP CS(=O)(=O)CC[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237317381 209351597 /nfs/dbraw/zinc/35/15/97/209351597.db2.gz YPAQVKJJNCGUKX-MRXNPFEDSA-N 2 1 359.536 0.863 10 0 FCAEMP c1nc2nc(N3CC[N@H+]4CCC[C@@H]4C3)cc(N3CC[NH+]4CCC[C@@H]4C3)n2n1 ZINC000192573871 209300974 /nfs/dbraw/zinc/30/09/74/209300974.db2.gz KVJZVAWZNUWKNY-HZPDHXFCSA-N 2 1 368.489 0.693 10 0 FCAEMP c1nc2nc(N3CC[NH+]4CCC[C@@H]4C3)cc(N3CC[N@@H+]4CCC[C@@H]4C3)n2n1 ZINC000192573871 209300977 /nfs/dbraw/zinc/30/09/77/209300977.db2.gz KVJZVAWZNUWKNY-HZPDHXFCSA-N 2 1 368.489 0.693 10 0 FCAEMP c1nc2nc(N3CC[NH+]4CCC[C@@H]4C3)cc(N3CC[N@H+]4CCC[C@@H]4C3)n2n1 ZINC000192573871 209300980 /nfs/dbraw/zinc/30/09/80/209300980.db2.gz KVJZVAWZNUWKNY-HZPDHXFCSA-N 2 1 368.489 0.693 10 0 FCAEMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000187169121 209206946 /nfs/dbraw/zinc/20/69/46/209206946.db2.gz IEAZMZLKVIRWGZ-SFHVURJKSA-N 2 1 373.501 0.977 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000415088992 245344839 /nfs/dbraw/zinc/34/48/39/245344839.db2.gz WBKHKLTXTSWDSI-CYBMUJFWSA-N 2 1 360.458 0.532 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CC(C)(C)O ZINC000415088992 245344849 /nfs/dbraw/zinc/34/48/49/245344849.db2.gz WBKHKLTXTSWDSI-CYBMUJFWSA-N 2 1 360.458 0.532 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415255131 245368376 /nfs/dbraw/zinc/36/83/76/245368376.db2.gz LXGKDXLGFMXIDQ-KRWDZBQOSA-N 2 1 360.458 0.234 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000415248178 245368705 /nfs/dbraw/zinc/36/87/05/245368705.db2.gz CDEFPCNIKGBQQC-GASCZTMLSA-N 2 1 362.474 0.648 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000415248178 245368714 /nfs/dbraw/zinc/36/87/14/245368714.db2.gz CDEFPCNIKGBQQC-GASCZTMLSA-N 2 1 362.474 0.648 10 0 FCAEMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCN1CCc2ccccc21 ZINC000182957024 209139177 /nfs/dbraw/zinc/13/91/77/209139177.db2.gz VKGISWSRSOCSNU-UHFFFAOYSA-N 2 1 373.545 0.735 10 0 FCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCN1CCc2ccccc21 ZINC000182957024 209139179 /nfs/dbraw/zinc/13/91/79/209139179.db2.gz VKGISWSRSOCSNU-UHFFFAOYSA-N 2 1 373.545 0.735 10 0 FCAEMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000418903426 245900921 /nfs/dbraw/zinc/90/09/21/245900921.db2.gz BCQQRHHVXYSYCS-ROUUACIJSA-N 2 1 374.485 0.521 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136685 246011934 /nfs/dbraw/zinc/01/19/34/246011934.db2.gz PLGANQZYMODHEZ-NXHRZFHOSA-N 2 1 358.486 0.881 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419168922 246029896 /nfs/dbraw/zinc/02/98/96/246029896.db2.gz LNCJPVUSFRENTI-RTBURBONSA-N 2 1 372.513 0.926 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2)C[C@H](C)O1 ZINC000419224568 246066011 /nfs/dbraw/zinc/06/60/11/246066011.db2.gz ZSRAZECKYQGOCP-GASCZTMLSA-N 2 1 362.474 0.377 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000419230494 246067983 /nfs/dbraw/zinc/06/79/83/246067983.db2.gz IUCDNJWBEFXLAI-MAUKXSAKSA-N 2 1 358.486 0.808 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000419230494 246067987 /nfs/dbraw/zinc/06/79/87/246067987.db2.gz IUCDNJWBEFXLAI-MAUKXSAKSA-N 2 1 358.486 0.808 10 0 FCAEMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419265064 246081363 /nfs/dbraw/zinc/08/13/63/246081363.db2.gz CRGAWMUFHJTGGI-GOSISDBHSA-N 2 1 374.485 0.393 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)C[NH+]1CCOCC1 ZINC000419307336 246092704 /nfs/dbraw/zinc/09/27/04/246092704.db2.gz ZSEKOCWPFDNHAV-HNNXBMFYSA-N 2 1 354.495 0.239 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCCC1)C[NH+]1CCOCC1 ZINC000419307340 246094252 /nfs/dbraw/zinc/09/42/52/246094252.db2.gz ZSEKOCWPFDNHAV-OAHLLOKOSA-N 2 1 354.495 0.239 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000419415615 246149052 /nfs/dbraw/zinc/14/90/52/246149052.db2.gz VLOVCIHCLKZEAG-UKRRQHHQSA-N 2 1 352.504 0.973 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419701065 246256732 /nfs/dbraw/zinc/25/67/32/246256732.db2.gz AGFYVUDNHHCPIK-LMSBXDPUSA-N 2 1 358.486 0.880 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000419756543 246285233 /nfs/dbraw/zinc/28/52/33/246285233.db2.gz GNXNBQCXGCJGBZ-MRXNPFEDSA-N 2 1 350.438 0.632 10 0 FCAEMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000422834734 246924534 /nfs/dbraw/zinc/92/45/34/246924534.db2.gz NZVQBVDLPZGNMC-TZMCWYRMSA-N 2 1 359.517 0.986 10 0 FCAEMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000423666264 247102184 /nfs/dbraw/zinc/10/21/84/247102184.db2.gz JVQAJQZUGGALJP-IRXDYDNUSA-N 2 1 359.474 0.497 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000423711177 247119989 /nfs/dbraw/zinc/11/99/89/247119989.db2.gz TYZIAWMQWQYGHT-KRWDZBQOSA-N 2 1 374.485 0.722 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@H](C)C1 ZINC000425384641 247330852 /nfs/dbraw/zinc/33/08/52/247330852.db2.gz KBHHPSIWYRDEFR-YYIAUSFCSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@H](C)C1 ZINC000425384641 247330856 /nfs/dbraw/zinc/33/08/56/247330856.db2.gz KBHHPSIWYRDEFR-YYIAUSFCSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@H](C)C1 ZINC000425384641 247330861 /nfs/dbraw/zinc/33/08/61/247330861.db2.gz KBHHPSIWYRDEFR-YYIAUSFCSA-N 2 1 350.507 0.728 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440981095 248229777 /nfs/dbraw/zinc/22/97/77/248229777.db2.gz JNWQQILZIZUYTE-INIZCTEOSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440981095 248229781 /nfs/dbraw/zinc/22/97/81/248229781.db2.gz JNWQQILZIZUYTE-INIZCTEOSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440981095 248229785 /nfs/dbraw/zinc/22/97/85/248229785.db2.gz JNWQQILZIZUYTE-INIZCTEOSA-N 2 1 355.527 0.422 10 0 FCAEMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c2ccccc2)CC1 ZINC000452395041 249316955 /nfs/dbraw/zinc/31/69/55/249316955.db2.gz VYZMBTJIQIRMAX-VQTJNVASSA-N 2 1 374.529 0.938 10 0 FCAEMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c2ccccc2)CC1 ZINC000452395041 249316957 /nfs/dbraw/zinc/31/69/57/249316957.db2.gz VYZMBTJIQIRMAX-VQTJNVASSA-N 2 1 374.529 0.938 10 0 FCAEMP NC(=O)N[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000270802978 211270566 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491658347 /nfs/dbraw/zinc/65/83/47/491658347.db2.gz BJJXUTYTXTXLEI-IKGGRYGDSA-N 2 1 351.491 0.844 10 0 FCAEMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC12CCOCC2 ZINC000576943298 491658351 /nfs/dbraw/zinc/65/83/51/491658351.db2.gz BJJXUTYTXTXLEI-IKGGRYGDSA-N 2 1 351.491 0.844 10 0 FCAEMP CC1[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000668463470 493359039 /nfs/dbraw/zinc/35/90/39/493359039.db2.gz QULRTXBLYYSVLT-BDXSIMOUSA-N 2 1 364.534 0.785 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579197185 491692845 /nfs/dbraw/zinc/69/28/45/491692845.db2.gz XGJATIWYRJLFOI-AZUAARDMSA-N 2 1 361.486 0.586 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579197185 491692846 /nfs/dbraw/zinc/69/28/46/491692846.db2.gz XGJATIWYRJLFOI-AZUAARDMSA-N 2 1 361.486 0.586 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000579197185 491692847 /nfs/dbraw/zinc/69/28/47/491692847.db2.gz XGJATIWYRJLFOI-AZUAARDMSA-N 2 1 361.486 0.586 10 0 FCAEMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000579336517 491695657 /nfs/dbraw/zinc/69/56/57/491695657.db2.gz LYEPIQGDVBITDW-ZACQAIPSSA-N 2 1 366.506 0.297 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000579336517 491695655 /nfs/dbraw/zinc/69/56/55/491695655.db2.gz LYEPIQGDVBITDW-ZACQAIPSSA-N 2 1 366.506 0.297 10 0 FCAEMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000579336517 491695656 /nfs/dbraw/zinc/69/56/56/491695656.db2.gz LYEPIQGDVBITDW-ZACQAIPSSA-N 2 1 366.506 0.297 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000580315182 491725690 /nfs/dbraw/zinc/72/56/90/491725690.db2.gz WZINDCVRYKJYIR-CABCVRRESA-N 2 1 362.430 0.355 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000580315182 491725691 /nfs/dbraw/zinc/72/56/91/491725691.db2.gz WZINDCVRYKJYIR-CABCVRRESA-N 2 1 362.430 0.355 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000580315184 491725862 /nfs/dbraw/zinc/72/58/62/491725862.db2.gz WZINDCVRYKJYIR-HUUCEWRRSA-N 2 1 362.430 0.355 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000580315184 491725864 /nfs/dbraw/zinc/72/58/64/491725864.db2.gz WZINDCVRYKJYIR-HUUCEWRRSA-N 2 1 362.430 0.355 10 0 FCAEMP COC[C@]1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]C1 ZINC000582239761 491803955 /nfs/dbraw/zinc/80/39/55/491803955.db2.gz WXDHEUMSQRVJHY-FQEVSTJZSA-N 2 1 374.485 0.568 10 0 FCAEMP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000582576095 491818678 /nfs/dbraw/zinc/81/86/78/491818678.db2.gz VLQPYXQENZODHZ-GOSISDBHSA-N 2 1 369.469 1.492 10 0 FCAEMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000582576095 491818680 /nfs/dbraw/zinc/81/86/80/491818680.db2.gz VLQPYXQENZODHZ-GOSISDBHSA-N 2 1 369.469 1.492 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C ZINC000582679470 491822394 /nfs/dbraw/zinc/82/23/94/491822394.db2.gz JOXMJRYQLQPSQT-QLFBSQMISA-N 2 1 350.463 0.940 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000582679470 491822395 /nfs/dbraw/zinc/82/23/95/491822395.db2.gz JOXMJRYQLQPSQT-QLFBSQMISA-N 2 1 350.463 0.940 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668500386 493365753 /nfs/dbraw/zinc/36/57/53/493365753.db2.gz XYIGHJKQFYEZIU-IRXDYDNUSA-N 2 1 368.522 0.404 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000583090187 491837890 /nfs/dbraw/zinc/83/78/90/491837890.db2.gz FWIURPIDZFRIJT-RDJZCZTQSA-N 2 1 366.506 0.156 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)[C@H](C)C1 ZINC000583570958 491847774 /nfs/dbraw/zinc/84/77/74/491847774.db2.gz SAYQZJUVEJZUNW-WBVHZDCISA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000583804944 491852428 /nfs/dbraw/zinc/85/24/28/491852428.db2.gz ISDZGCKMUWHYAR-PNBKFKSVSA-N 2 1 350.507 0.964 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000583804944 491852429 /nfs/dbraw/zinc/85/24/29/491852429.db2.gz ISDZGCKMUWHYAR-PNBKFKSVSA-N 2 1 350.507 0.964 10 0 FCAEMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000583804944 491852430 /nfs/dbraw/zinc/85/24/30/491852430.db2.gz ISDZGCKMUWHYAR-PNBKFKSVSA-N 2 1 350.507 0.964 10 0 FCAEMP CN(C)c1ncnc2c1cc(C(=O)NC[C@H]1C[N@H+]3CCN1CCC3)n2C ZINC000614503743 492033648 /nfs/dbraw/zinc/03/36/48/492033648.db2.gz RJWULOZWZRSLBB-ZDUSSCGKSA-N 2 1 357.462 0.154 10 0 FCAEMP CN(C)c1ncnc2c1cc(C(=O)NC[C@H]1CN3CCN1CCC3)n2C ZINC000614503743 492033649 /nfs/dbraw/zinc/03/36/49/492033649.db2.gz RJWULOZWZRSLBB-ZDUSSCGKSA-N 2 1 357.462 0.154 10 0 FCAEMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)C1 ZINC000604639551 492065225 /nfs/dbraw/zinc/06/52/25/492065225.db2.gz ZCHQVVJVZQKLPZ-SFHVURJKSA-N 2 1 367.538 0.520 10 0 FCAEMP C[C@H]1[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000615182843 492077020 /nfs/dbraw/zinc/07/70/20/492077020.db2.gz LRSHFYPGXUGWRT-MVEAFLSBSA-N 2 1 360.502 0.194 10 0 FCAEMP C[C@H]1[C@H](C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000615182843 492077021 /nfs/dbraw/zinc/07/70/21/492077021.db2.gz LRSHFYPGXUGWRT-MVEAFLSBSA-N 2 1 360.502 0.194 10 0 FCAEMP C[C@H]1[C@H](C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)[C@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000615182843 492077022 /nfs/dbraw/zinc/07/70/22/492077022.db2.gz LRSHFYPGXUGWRT-MVEAFLSBSA-N 2 1 360.502 0.194 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@](C)(CO)c2ccccc2)C1 ZINC000599173834 492139303 /nfs/dbraw/zinc/13/93/03/492139303.db2.gz ZELAHUXEUUFQQT-UYAOXDASSA-N 2 1 363.502 0.957 10 0 FCAEMP 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[NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640937 492369283 /nfs/dbraw/zinc/36/92/83/492369283.db2.gz OWPMWCLZDIGKQG-FGTMMUONSA-N 2 1 358.486 0.868 10 0 FCAEMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640940 492369331 /nfs/dbraw/zinc/36/93/31/492369331.db2.gz OWPMWCLZDIGKQG-RCCFBDPRSA-N 2 1 358.486 0.868 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000642778824 492388900 /nfs/dbraw/zinc/38/89/00/492388900.db2.gz MTFXTYAZQMTWLA-MRXNPFEDSA-N 2 1 359.474 0.865 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778788 492389039 /nfs/dbraw/zinc/38/90/39/492389039.db2.gz KQMSIDBQOQFLCG-CJNGLKHVSA-N 2 1 359.474 0.721 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785803 492391426 /nfs/dbraw/zinc/39/14/26/492391426.db2.gz LSQZDRVMRSMYON-KRWDZBQOSA-N 2 1 359.474 0.278 10 0 FCAEMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 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/nfs/dbraw/zinc/48/83/38/492488338.db2.gz PHVRUNYLRMBNLO-CHWSQXEVSA-N 2 1 374.411 0.781 10 0 FCAEMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000649076092 492491838 /nfs/dbraw/zinc/49/18/38/492491838.db2.gz PWPHKEYSJKKZQF-OXJNMPFZSA-N 2 1 374.485 0.202 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000656066735 492529461 /nfs/dbraw/zinc/52/94/61/492529461.db2.gz BXDWCUCGYJEMBQ-WOVMCDHWSA-N 2 1 350.507 0.920 10 0 FCAEMP CC1(OCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C[NH2+]C1 ZINC000649315853 492531039 /nfs/dbraw/zinc/53/10/39/492531039.db2.gz UCHWGWCTLQOMJW-OAHLLOKOSA-N 2 1 360.458 0.701 10 0 FCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321373 492531835 /nfs/dbraw/zinc/53/18/35/492531835.db2.gz VOKHTPFFHUIQLG-MEXWJNSZSA-N 2 1 351.491 0.577 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656075794 492536544 /nfs/dbraw/zinc/53/65/44/492536544.db2.gz WCJWQKUFZFZCSA-UUAJXVIYSA-N 2 1 366.506 0.295 10 0 FCAEMP CC1(OCC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[NH2+]C1 ZINC000649351350 492545004 /nfs/dbraw/zinc/54/50/04/492545004.db2.gz OYBBVBHEHOVKPL-UHFFFAOYSA-N 2 1 350.438 0.442 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414939 492552244 /nfs/dbraw/zinc/55/22/44/492552244.db2.gz ALOADONPZZGNQM-KURKYZTESA-N 2 1 372.517 0.978 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414939 492552247 /nfs/dbraw/zinc/55/22/47/492552247.db2.gz ALOADONPZZGNQM-KURKYZTESA-N 2 1 372.517 0.978 10 0 FCAEMP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656312379 492586784 /nfs/dbraw/zinc/58/67/84/492586784.db2.gz IMRSBLZCSOLGKI-DLBZAZTESA-N 2 1 366.506 0.036 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656332452 492597404 /nfs/dbraw/zinc/59/74/04/492597404.db2.gz WPOLDKWFGWJFTA-YESZJQIVSA-N 2 1 352.523 0.927 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H]1C ZINC000629800065 492678331 /nfs/dbraw/zinc/67/83/31/492678331.db2.gz WZIBNBSPNLNEDF-STEAMIEHSA-N 2 1 350.507 0.776 10 0 FCAEMP Cc1[nH+]ccn1CCCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650911414 492683555 /nfs/dbraw/zinc/68/35/55/492683555.db2.gz MIVDDSHFCLFPFS-UHFFFAOYSA-N 2 1 350.467 0.387 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631914726 492880142 /nfs/dbraw/zinc/88/01/42/492880142.db2.gz WENOQXHXTVAOME-DJIMGWMZSA-N 2 1 353.488 0.730 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631917529 492882506 /nfs/dbraw/zinc/88/25/06/492882506.db2.gz QMGSNGFEWVSFBD-LSDHHAIUSA-N 2 1 373.544 0.868 10 0 FCAEMP CCO[C@@H]1CN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652123964 492882946 /nfs/dbraw/zinc/88/29/46/492882946.db2.gz HMEBOPRCUCYHNN-IXDOHACOSA-N 2 1 355.527 0.264 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000631917528 492882979 /nfs/dbraw/zinc/88/29/79/492882979.db2.gz QMGSNGFEWVSFBD-HUUCEWRRSA-N 2 1 373.544 0.868 10 0 FCAEMP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000631918767 492883968 /nfs/dbraw/zinc/88/39/68/492883968.db2.gz LUNFJEJJHXMTOT-QGZVFWFLSA-N 2 1 373.567 0.017 10 0 FCAEMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652243899 492897757 /nfs/dbraw/zinc/89/77/57/492897757.db2.gz MQIOHIUPSGIYOP-UHFFFAOYSA-N 2 1 351.495 0.311 10 0 FCAEMP CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](CC)C1 ZINC000658467642 492906568 /nfs/dbraw/zinc/90/65/68/492906568.db2.gz GSBMFKNAYPFTES-AWEZNQCLSA-N 2 1 350.467 0.326 10 0 FCAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652348977 492913462 /nfs/dbraw/zinc/91/34/62/492913462.db2.gz XVMGLLUQTJKSQH-FCEWJHQRSA-N 3 1 364.534 0.948 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000652354833 492914337 /nfs/dbraw/zinc/91/43/37/492914337.db2.gz JMYDVOHGWWUAJB-KSZLIROESA-N 2 1 354.539 0.909 10 0 FCAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)NCCCN2CCCC2=O)C1 ZINC000652360364 492915757 /nfs/dbraw/zinc/91/57/57/492915757.db2.gz GBUHKYMNKGZCGX-IXDOHACOSA-N 2 1 366.506 0.476 10 0 FCAEMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658523018 492926793 /nfs/dbraw/zinc/92/67/93/492926793.db2.gz SITKMGQIJGTKER-JKSUJKDBSA-N 2 1 368.522 0.545 10 0 FCAEMP CN1CCO[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638276324 492927563 /nfs/dbraw/zinc/92/75/63/492927563.db2.gz MYASJJXUMQNGKB-SFHVURJKSA-N 2 1 360.502 0.817 10 0 FCAEMP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000626167518 492940715 /nfs/dbraw/zinc/94/07/15/492940715.db2.gz XKUQAIGQSQTMOF-KRWDZBQOSA-N 2 1 360.568 0.664 10 0 FCAEMP CN1C[C@@H](CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000638420585 492945906 /nfs/dbraw/zinc/94/59/06/492945906.db2.gz OOCIGTMMSVNRPE-QGZVFWFLSA-N 2 1 358.486 0.965 10 0 FCAEMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658558419 492954277 /nfs/dbraw/zinc/95/42/77/492954277.db2.gz GAQDRQWDXBWUEO-OAHLLOKOSA-N 2 1 368.522 0.545 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658612390 492979759 /nfs/dbraw/zinc/97/97/59/492979759.db2.gz HEWCKDNFMJAMGD-ZACQAIPSSA-N 2 1 368.522 0.354 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658612389 492979904 /nfs/dbraw/zinc/97/99/04/492979904.db2.gz HEWCKDNFMJAMGD-IXDOHACOSA-N 2 1 368.522 0.354 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652668788 492983307 /nfs/dbraw/zinc/98/33/07/492983307.db2.gz MQVBHAQJPQGEJC-TVFCKZIOSA-N 2 1 374.485 0.370 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000652680184 492987498 /nfs/dbraw/zinc/98/74/98/492987498.db2.gz XKBUACWIBKWTJF-HNNXBMFYSA-N 2 1 358.486 0.795 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000652680184 492987503 /nfs/dbraw/zinc/98/75/03/492987503.db2.gz XKBUACWIBKWTJF-HNNXBMFYSA-N 2 1 358.486 0.795 10 0 FCAEMP C[C@H]([NH3+])CCC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000645925682 492988525 /nfs/dbraw/zinc/98/85/25/492988525.db2.gz KFUQCPYMIMDXCJ-HNNXBMFYSA-N 2 1 361.490 0.963 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000652682551 492988855 /nfs/dbraw/zinc/98/88/55/492988855.db2.gz NBDGJBXVNFYVTM-UHFFFAOYSA-N 2 1 358.486 0.796 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658659517 492993828 /nfs/dbraw/zinc/99/38/28/492993828.db2.gz JAOWYKFOADKNAL-IAGOWNOFSA-N 2 1 368.522 0.356 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652702067 492994654 /nfs/dbraw/zinc/99/46/54/492994654.db2.gz PCRSFJMBFAKZMR-KBAYOESNSA-N 2 1 358.486 0.486 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652702067 492994658 /nfs/dbraw/zinc/99/46/58/492994658.db2.gz PCRSFJMBFAKZMR-KBAYOESNSA-N 2 1 358.486 0.486 10 0 FCAEMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977763 492994942 /nfs/dbraw/zinc/99/49/42/492994942.db2.gz LIRCUWODYQETTJ-GDBMZVCRSA-N 2 1 361.494 0.101 10 0 FCAEMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)CC1 ZINC000645977763 492994945 /nfs/dbraw/zinc/99/49/45/492994945.db2.gz LIRCUWODYQETTJ-GDBMZVCRSA-N 2 1 361.494 0.101 10 0 FCAEMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC2)C1 ZINC000646002845 492998980 /nfs/dbraw/zinc/99/89/80/492998980.db2.gz HFKGFMLUCCRTGR-PFRQMTDMSA-N 2 1 364.534 0.757 10 0 FCAEMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009388 493000541 /nfs/dbraw/zinc/00/05/41/493000541.db2.gz GFSFQSDLJPTQMS-OKZBNKHCSA-N 2 1 352.523 0.807 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000652719806 493002083 /nfs/dbraw/zinc/00/20/83/493002083.db2.gz NCUYWBPSZIQJOR-ROUUACIJSA-N 2 1 358.486 0.965 10 0 FCAEMP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000658674717 493003298 /nfs/dbraw/zinc/00/32/98/493003298.db2.gz CCELUYJKQLEANZ-JKSUJKDBSA-N 2 1 366.506 0.156 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000658674717 493003300 /nfs/dbraw/zinc/00/33/00/493003300.db2.gz CCELUYJKQLEANZ-JKSUJKDBSA-N 2 1 366.506 0.156 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652729467 493007484 /nfs/dbraw/zinc/00/74/84/493007484.db2.gz HDZTWOPBKGGGKR-LVQVYYBASA-N 2 1 354.495 0.140 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652729466 493007638 /nfs/dbraw/zinc/00/76/38/493007638.db2.gz HDZTWOPBKGGGKR-KLHDSHLOSA-N 2 1 354.495 0.140 10 0 FCAEMP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000646112506 493014201 /nfs/dbraw/zinc/01/42/01/493014201.db2.gz QAYOJWOLDQWLGY-AWEZNQCLSA-N 2 1 350.385 0.151 10 0 FCAEMP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000646112506 493014202 /nfs/dbraw/zinc/01/42/02/493014202.db2.gz QAYOJWOLDQWLGY-AWEZNQCLSA-N 2 1 350.385 0.151 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626794517 493020496 /nfs/dbraw/zinc/02/04/96/493020496.db2.gz NUJCYJQXUVVVHP-ZDUSSCGKSA-N 2 1 358.442 0.708 10 0 FCAEMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)C[C@H](C)O1 ZINC000626913796 493061533 /nfs/dbraw/zinc/06/15/33/493061533.db2.gz ZDBASBCKNRVHPW-GRDNDAEWSA-N 2 1 360.458 0.712 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626924210 493063849 /nfs/dbraw/zinc/06/38/49/493063849.db2.gz KFAUKCYXZQOCGQ-UHFFFAOYSA-N 2 1 364.490 0.896 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658820409 493068348 /nfs/dbraw/zinc/06/83/48/493068348.db2.gz DGOUVZHWZKUVAV-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000626950176 493069265 /nfs/dbraw/zinc/06/92/65/493069265.db2.gz VVJFBOQNFNEYPZ-MRXNPFEDSA-N 2 1 364.490 0.943 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000626950176 493069269 /nfs/dbraw/zinc/06/92/69/493069269.db2.gz VVJFBOQNFNEYPZ-MRXNPFEDSA-N 2 1 364.490 0.943 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000626979439 493074236 /nfs/dbraw/zinc/07/42/36/493074236.db2.gz BOYROBBLDKSYGJ-CVEARBPZSA-N 2 1 356.511 0.931 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000626995648 493076529 /nfs/dbraw/zinc/07/65/29/493076529.db2.gz VPFXGNRNJJDHOA-UHFFFAOYSA-N 2 1 364.494 0.940 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000627019729 493082160 /nfs/dbraw/zinc/08/21/60/493082160.db2.gz NASOAKLOYXGHTJ-GOSISDBHSA-N 2 1 364.490 0.813 10 0 FCAEMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627041328 493083764 /nfs/dbraw/zinc/08/37/64/493083764.db2.gz KTHISMCPCMLSTK-INIZCTEOSA-N 2 1 368.526 0.459 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000627117003 493089801 /nfs/dbraw/zinc/08/98/01/493089801.db2.gz CLQBCHITXVRGCR-GOSISDBHSA-N 2 1 363.506 0.338 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000627117003 493089804 /nfs/dbraw/zinc/08/98/04/493089804.db2.gz CLQBCHITXVRGCR-GOSISDBHSA-N 2 1 363.506 0.338 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000627170156 493099863 /nfs/dbraw/zinc/09/98/63/493099863.db2.gz HQZDBDGVADDGQE-JKSUJKDBSA-N 2 1 353.511 0.713 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000627170156 493099866 /nfs/dbraw/zinc/09/98/66/493099866.db2.gz HQZDBDGVADDGQE-JKSUJKDBSA-N 2 1 353.511 0.713 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653372202 493105597 /nfs/dbraw/zinc/10/55/97/493105597.db2.gz BPXUMSNUSGCAJZ-KRWDZBQOSA-N 2 1 358.552 0.634 10 0 FCAEMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000646821750 493106223 /nfs/dbraw/zinc/10/62/23/493106223.db2.gz OVPIDZINAFLOFN-ZDUSSCGKSA-N 2 1 373.457 0.149 10 0 FCAEMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000646821750 493106227 /nfs/dbraw/zinc/10/62/27/493106227.db2.gz OVPIDZINAFLOFN-ZDUSSCGKSA-N 2 1 373.457 0.149 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658905117 493108197 /nfs/dbraw/zinc/10/81/97/493108197.db2.gz XSOGPFBQSQVYIG-QGZVFWFLSA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658905117 493108198 /nfs/dbraw/zinc/10/81/98/493108198.db2.gz XSOGPFBQSQVYIG-QGZVFWFLSA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658905117 493108202 /nfs/dbraw/zinc/10/82/02/493108202.db2.gz XSOGPFBQSQVYIG-QGZVFWFLSA-N 2 1 368.522 0.138 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627214571 493109056 /nfs/dbraw/zinc/10/90/56/493109056.db2.gz RUHPANYWRLHQIU-SFHVURJKSA-N 2 1 350.463 0.288 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000658926598 493111919 /nfs/dbraw/zinc/11/19/19/493111919.db2.gz DKWSIUGYBCLKAP-VQIMIIECSA-N 2 1 366.506 0.110 10 0 FCAEMP CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633077948 493116996 /nfs/dbraw/zinc/11/69/96/493116996.db2.gz GCPVPVOLMMEYIH-FGTMMUONSA-N 2 1 356.470 0.682 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646917885 493127123 /nfs/dbraw/zinc/12/71/23/493127123.db2.gz JKSYSRWTCNUDMI-PVWHLQNVSA-N 2 1 362.518 0.584 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646917885 493127127 /nfs/dbraw/zinc/12/71/27/493127127.db2.gz JKSYSRWTCNUDMI-PVWHLQNVSA-N 2 1 362.518 0.584 10 0 FCAEMP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[C@H](C)C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646917885 493127131 /nfs/dbraw/zinc/12/71/31/493127131.db2.gz JKSYSRWTCNUDMI-PVWHLQNVSA-N 2 1 362.518 0.584 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@H+](C)C[C@H]54)CCC3)[C@@H]2C1 ZINC000646923750 493127463 /nfs/dbraw/zinc/12/74/63/493127463.db2.gz ZDXBARRALMGJJR-YYIAUSFCSA-N 2 1 360.502 0.482 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)C3(C(=O)N4CC[C@@H]5C[N@H+](C)C[C@H]54)CCC3)[C@@H]2C1 ZINC000646923750 493127466 /nfs/dbraw/zinc/12/74/66/493127466.db2.gz ZDXBARRALMGJJR-YYIAUSFCSA-N 2 1 360.502 0.482 10 0 FCAEMP C[NH+]1C[C@@H]2CCN(C(=O)C3(C(=O)N4CC[C@@H]5C[N@@H+](C)C[C@H]54)CCC3)[C@@H]2C1 ZINC000646923750 493127470 /nfs/dbraw/zinc/12/74/70/493127470.db2.gz ZDXBARRALMGJJR-YYIAUSFCSA-N 2 1 360.502 0.482 10 0 FCAEMP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659078829 493143470 /nfs/dbraw/zinc/14/34/70/493143470.db2.gz JUNIGZJSPQFCFA-QZTJIDSGSA-N 2 1 372.469 0.887 10 0 FCAEMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659081953 493144746 /nfs/dbraw/zinc/14/47/46/493144746.db2.gz YSGDLUHLWCAJCW-YOEHRIQHSA-N 2 1 360.458 0.744 10 0 FCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@H](C)O1 ZINC000627319446 493150021 /nfs/dbraw/zinc/15/00/21/493150021.db2.gz UDRGCRFQMIDWPW-QLFBSQMISA-N 2 1 366.506 0.391 10 0 FCAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@H](C)O1 ZINC000627319446 493150023 /nfs/dbraw/zinc/15/00/23/493150023.db2.gz UDRGCRFQMIDWPW-QLFBSQMISA-N 2 1 366.506 0.391 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000627332486 493157746 /nfs/dbraw/zinc/15/77/46/493157746.db2.gz AZDGETKTEUVBMM-QRQLOZEOSA-N 2 1 372.513 0.924 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000627336986 493159793 /nfs/dbraw/zinc/15/97/93/493159793.db2.gz PWECGDTVLULRFN-QGZVFWFLSA-N 2 1 362.474 0.119 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[NH2+]1 ZINC000627345715 493165343 /nfs/dbraw/zinc/16/53/43/493165343.db2.gz SYKRDYKDHOPJIL-YJBOKZPZSA-N 2 1 374.485 0.392 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000627345498 493165490 /nfs/dbraw/zinc/16/54/90/493165490.db2.gz MXHUETVRSOHDCI-ZWKOTPCHSA-N 2 1 374.485 0.392 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357495 493174159 /nfs/dbraw/zinc/17/41/59/493174159.db2.gz HTYVGBXJCQCFMB-CRAIPNDOSA-N 2 1 358.486 0.808 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000627357046 493174541 /nfs/dbraw/zinc/17/45/41/493174541.db2.gz WHBNIWATWHCOHG-MXSMSXNCSA-N 2 1 358.486 0.880 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000641180756 493177087 /nfs/dbraw/zinc/17/70/87/493177087.db2.gz BVIHWNWYXHMFFV-IRXDYDNUSA-N 2 1 365.522 0.842 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627367147 493181076 /nfs/dbraw/zinc/18/10/76/493181076.db2.gz LPQGYFZFBASCEI-NVXWUHKLSA-N 2 1 362.474 0.105 10 0 FCAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824735 493184694 /nfs/dbraw/zinc/18/46/94/493184694.db2.gz GCTOXYHRDWDTDL-VQTJNVASSA-N 2 1 372.513 0.390 10 0 FCAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824735 493184698 /nfs/dbraw/zinc/18/46/98/493184698.db2.gz GCTOXYHRDWDTDL-VQTJNVASSA-N 2 1 372.513 0.390 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000672647843 493227498 /nfs/dbraw/zinc/22/74/98/493227498.db2.gz BANLFSSLDBMASI-ULQDDVLXSA-N 2 1 368.522 0.450 10 0 FCAEMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000672647843 493227499 /nfs/dbraw/zinc/22/74/99/493227499.db2.gz BANLFSSLDBMASI-ULQDDVLXSA-N 2 1 368.522 0.450 10 0 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1 353.507 0.839 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501309 493443599 /nfs/dbraw/zinc/44/35/99/493443599.db2.gz WGHWEWURAAIROK-QRQLOZEOSA-N 2 1 353.507 0.818 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501309 493443601 /nfs/dbraw/zinc/44/36/01/493443601.db2.gz WGHWEWURAAIROK-QRQLOZEOSA-N 2 1 353.507 0.818 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000661501309 493443604 /nfs/dbraw/zinc/44/36/04/493443604.db2.gz WGHWEWURAAIROK-QRQLOZEOSA-N 2 1 353.507 0.818 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000661854389 493469196 /nfs/dbraw/zinc/46/91/96/493469196.db2.gz JQYVUFWBZJOWDM-MRXNPFEDSA-N 2 1 365.522 0.809 10 0 FCAEMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000685342172 493481543 /nfs/dbraw/zinc/48/15/43/493481543.db2.gz YPGZFTCZVQOPNS-NCOADZHNSA-N 2 1 366.506 0.295 10 0 FCAEMP 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CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685533730 493502113 /nfs/dbraw/zinc/50/21/13/493502113.db2.gz NSBRGBYJFJESDC-SJORKVTESA-N 2 1 367.538 0.071 10 0 FCAEMP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000669502154 493508270 /nfs/dbraw/zinc/50/82/70/493508270.db2.gz IIJFIRAWCTUWJK-IAGOWNOFSA-N 2 1 367.538 0.694 10 0 FCAEMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000676089393 493522372 /nfs/dbraw/zinc/52/23/72/493522372.db2.gz FKXPOSIUIOTGDS-LSDHHAIUSA-N 2 1 364.494 0.620 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000676089695 493522855 /nfs/dbraw/zinc/52/28/55/493522855.db2.gz MQCJDWZCBXABEC-CJNGLKHVSA-N 2 1 354.414 0.949 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000676098912 493524899 /nfs/dbraw/zinc/52/48/99/493524899.db2.gz HGEHAEULGGVVIS-GOEBONIOSA-N 2 1 364.494 0.714 10 0 FCAEMP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C[NH+]1CCOCC1 ZINC000662701807 493533088 /nfs/dbraw/zinc/53/30/88/493533088.db2.gz SKTOEIXCBDXAFP-GJZGRUSLSA-N 2 1 350.467 0.291 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000662921327 493553476 /nfs/dbraw/zinc/55/34/76/493553476.db2.gz IGQPRHGXNAGESR-UHFFFAOYSA-N 2 1 356.470 0.671 10 0 FCAEMP CN(C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662930088 493555333 /nfs/dbraw/zinc/55/53/33/493555333.db2.gz MHQAAEXWMDBPEX-AEFFLSMTSA-N 2 1 362.518 0.920 10 0 FCAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662930024 493555458 /nfs/dbraw/zinc/55/54/58/493555458.db2.gz LUUISHIIWHDOKU-MWDXBVQZSA-N 2 1 368.497 0.997 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662938141 493556931 /nfs/dbraw/zinc/55/69/31/493556931.db2.gz LIEVRSBWCGDREB-OHTSDLOESA-N 2 1 356.470 0.669 10 0 FCAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCOC2(C[NH2+]C2)C1 ZINC000663491531 493592665 /nfs/dbraw/zinc/59/26/65/493592665.db2.gz HBDYTZYUPLEDRA-UHFFFAOYSA-N 2 1 358.261 0.928 10 0 FCAEMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550661 493596595 /nfs/dbraw/zinc/59/65/95/493596595.db2.gz CYYNOULJOPMYIH-JZXOWHBKSA-N 2 1 368.522 0.726 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550661 493596597 /nfs/dbraw/zinc/59/65/97/493596597.db2.gz CYYNOULJOPMYIH-JZXOWHBKSA-N 2 1 368.522 0.726 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@H](C)O1 ZINC000663550661 493596599 /nfs/dbraw/zinc/59/65/99/493596599.db2.gz CYYNOULJOPMYIH-JZXOWHBKSA-N 2 1 368.522 0.726 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CCOC3)CC2)C1 ZINC000677718751 493614004 /nfs/dbraw/zinc/61/40/04/493614004.db2.gz IBCOTOVLXMLQKQ-KRWDZBQOSA-N 2 1 353.507 0.962 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000664039128 493631639 /nfs/dbraw/zinc/63/16/39/493631639.db2.gz UDTUUMPFFRQXSY-KBPBESRZSA-N 2 1 351.499 0.857 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000664039128 493631642 /nfs/dbraw/zinc/63/16/42/493631642.db2.gz UDTUUMPFFRQXSY-KBPBESRZSA-N 2 1 351.499 0.857 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671106053 493635940 /nfs/dbraw/zinc/63/59/40/493635940.db2.gz XPZGAFFARULFQO-IRXDYDNUSA-N 2 1 350.507 0.968 10 0 FCAEMP CCN(C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664176775 493642139 /nfs/dbraw/zinc/64/21/39/493642139.db2.gz WZRKRCLKQXTWNA-JKSUJKDBSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664176775 493642140 /nfs/dbraw/zinc/64/21/40/493642140.db2.gz WZRKRCLKQXTWNA-JKSUJKDBSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](CC)C1 ZINC000664176775 493642141 /nfs/dbraw/zinc/64/21/41/493642141.db2.gz WZRKRCLKQXTWNA-JKSUJKDBSA-N 2 1 353.511 0.700 10 0 FCAEMP CC[NH+](CC)CCOCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664648694 493674730 /nfs/dbraw/zinc/67/47/30/493674730.db2.gz TXVZVVHZMUQLAE-QGZVFWFLSA-N 2 1 356.511 0.585 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000664815865 493684654 /nfs/dbraw/zinc/68/46/54/493684654.db2.gz WFEMOZRMZVMEPD-UHFFFAOYSA-N 2 1 356.559 0.195 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000665639118 493728752 /nfs/dbraw/zinc/72/87/52/493728752.db2.gz MTUWEAOKUPFHAX-GJZGRUSLSA-N 2 1 356.515 0.348 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000665639118 493728753 /nfs/dbraw/zinc/72/87/53/493728753.db2.gz MTUWEAOKUPFHAX-GJZGRUSLSA-N 2 1 356.515 0.348 10 0 FCAEMP CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761663 493733557 /nfs/dbraw/zinc/73/35/57/493733557.db2.gz MARVKLUMWWCNTB-JKSUJKDBSA-N 2 1 355.527 0.911 10 0 FCAEMP CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761663 493733559 /nfs/dbraw/zinc/73/35/59/493733559.db2.gz MARVKLUMWWCNTB-JKSUJKDBSA-N 2 1 355.527 0.911 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000665762449 493733851 /nfs/dbraw/zinc/73/38/51/493733851.db2.gz DXJINBQMKVKTCA-BBWFWOEESA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000665762449 493733853 /nfs/dbraw/zinc/73/38/53/493733853.db2.gz DXJINBQMKVKTCA-BBWFWOEESA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000665762447 493733910 /nfs/dbraw/zinc/73/39/10/493733910.db2.gz DUUWPDXBCFJRHO-XYJFISCASA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000665762447 493733913 /nfs/dbraw/zinc/73/39/13/493733913.db2.gz DUUWPDXBCFJRHO-XYJFISCASA-N 2 1 356.511 0.848 10 0 FCAEMP CCCN1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000665761887 493734090 /nfs/dbraw/zinc/73/40/90/493734090.db2.gz SWXFFCLHYPINIG-INIZCTEOSA-N 2 1 355.527 0.912 10 0 FCAEMP CCCN1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000665761887 493734092 /nfs/dbraw/zinc/73/40/92/493734092.db2.gz SWXFFCLHYPINIG-INIZCTEOSA-N 2 1 355.527 0.912 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000665762450 493734139 /nfs/dbraw/zinc/73/41/39/493734139.db2.gz DXJINBQMKVKTCA-GVDBMIGSSA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000665762450 493734141 /nfs/dbraw/zinc/73/41/41/493734141.db2.gz DXJINBQMKVKTCA-GVDBMIGSSA-N 2 1 356.511 0.848 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1c1nncn1C ZINC000665760476 493734777 /nfs/dbraw/zinc/73/47/77/493734777.db2.gz JEMQKGNRAICLQM-LSDHHAIUSA-N 2 1 351.499 0.934 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1c1nncn1C ZINC000665760476 493734778 /nfs/dbraw/zinc/73/47/78/493734778.db2.gz JEMQKGNRAICLQM-LSDHHAIUSA-N 2 1 351.499 0.934 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000672207836 493743462 /nfs/dbraw/zinc/74/34/62/493743462.db2.gz ATHORKLZGYMESP-OAHLLOKOSA-N 2 1 350.507 0.920 10 0 FCAEMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C(C)C ZINC000419796719 535065601 /nfs/dbraw/zinc/06/56/01/535065601.db2.gz PRTNETANGRLMRV-KRWDZBQOSA-N 2 1 361.490 0.790 10 0 FCAEMP CC(C)(CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000419665309 535081487 /nfs/dbraw/zinc/08/14/87/535081487.db2.gz OCMUQQIOBYWZPV-QGZVFWFLSA-N 2 1 373.501 0.793 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC[N@@H+]1CCOC ZINC000423531789 535425160 /nfs/dbraw/zinc/42/51/60/535425160.db2.gz UFWPIWOCLNSIAM-GPMSIDNRSA-N 2 1 368.522 0.389 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC[N@H+]1CCOC ZINC000423531789 535425167 /nfs/dbraw/zinc/42/51/67/535425167.db2.gz UFWPIWOCLNSIAM-GPMSIDNRSA-N 2 1 368.522 0.389 10 0 FCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418290471 536355460 /nfs/dbraw/zinc/35/54/60/536355460.db2.gz RQIIKOOKEKTRBR-GOSISDBHSA-N 2 1 366.554 0.093 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475464 546528791 /nfs/dbraw/zinc/52/87/91/546528791.db2.gz AQCKIQUXPOUFTP-ARFHVFGLSA-N 2 1 354.495 0.045 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475464 546528795 /nfs/dbraw/zinc/52/87/95/546528795.db2.gz AQCKIQUXPOUFTP-ARFHVFGLSA-N 2 1 354.495 0.045 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000363475464 546528800 /nfs/dbraw/zinc/52/88/00/546528800.db2.gz AQCKIQUXPOUFTP-ARFHVFGLSA-N 2 1 354.495 0.045 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127032222 546557115 /nfs/dbraw/zinc/55/71/15/546557115.db2.gz ZEXOLLXMKRBUAD-OAHLLOKOSA-N 2 1 350.467 0.374 10 0 FCAEMP CCOC(=O)C1CCC(O)(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593051643 546686629 /nfs/dbraw/zinc/68/66/29/546686629.db2.gz MGCJHMKSPAGKMU-UHFFFAOYSA-N 2 1 355.479 0.177 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000550903693 547113134 /nfs/dbraw/zinc/11/31/34/547113134.db2.gz FPLWXOFWDLDWBJ-INMHGKMJSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000550903693 547113141 /nfs/dbraw/zinc/11/31/41/547113141.db2.gz FPLWXOFWDLDWBJ-INMHGKMJSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000550903693 547113145 /nfs/dbraw/zinc/11/31/45/547113145.db2.gz FPLWXOFWDLDWBJ-INMHGKMJSA-N 2 1 350.507 0.776 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550904306 547115151 /nfs/dbraw/zinc/11/51/51/547115151.db2.gz VIBIJFUZLLNQEC-OAGGEKHMSA-N 2 1 350.507 0.966 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000551472611 547146952 /nfs/dbraw/zinc/14/69/52/547146952.db2.gz WKPTWBYVPJENKX-CVEARBPZSA-N 2 1 354.495 0.062 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cn2)CC1 ZINC000551615700 547156959 /nfs/dbraw/zinc/15/69/59/547156959.db2.gz SMTCAAZHJIBNIO-HOTGVXAUSA-N 2 1 351.495 0.476 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)[C@H](C)C1 ZINC000553735701 547304297 /nfs/dbraw/zinc/30/42/97/547304297.db2.gz ZQLLAQKSPDZNDO-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)[C@H](C)C1 ZINC000553735701 547304302 /nfs/dbraw/zinc/30/43/02/547304302.db2.gz ZQLLAQKSPDZNDO-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)[C@H](C)C1 ZINC000553735701 547304306 /nfs/dbraw/zinc/30/43/06/547304306.db2.gz ZQLLAQKSPDZNDO-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000895665394 665054580 /nfs/dbraw/zinc/05/45/80/665054580.db2.gz CGIGTZXTYXDJTD-RLFYNMQTSA-N 2 1 353.511 0.759 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000895665394 665054583 /nfs/dbraw/zinc/05/45/83/665054583.db2.gz CGIGTZXTYXDJTD-RLFYNMQTSA-N 2 1 353.511 0.759 10 0 FCAEMP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)CC1 ZINC000907356092 666125238 /nfs/dbraw/zinc/12/52/38/666125238.db2.gz VWWBIJVUGAYHRF-QFBILLFUSA-N 2 1 352.523 0.318 10 0 FCAEMP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)CC1 ZINC000907379354 666129853 /nfs/dbraw/zinc/12/98/53/666129853.db2.gz RLTSFVBYWDFWIW-HDICACEKSA-N 2 1 351.539 0.155 10 0 FCAEMP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000908539566 666211185 /nfs/dbraw/zinc/21/11/85/666211185.db2.gz AYKYVXLIZCXFCR-SFHVURJKSA-N 2 1 354.539 0.756 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000908539566 666211187 /nfs/dbraw/zinc/21/11/87/666211187.db2.gz AYKYVXLIZCXFCR-SFHVURJKSA-N 2 1 354.539 0.756 10 0 FCAEMP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000908539566 666211190 /nfs/dbraw/zinc/21/11/90/666211190.db2.gz AYKYVXLIZCXFCR-SFHVURJKSA-N 2 1 354.539 0.756 10 0 FCAEMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000913426938 666525991 /nfs/dbraw/zinc/52/59/91/666525991.db2.gz ADZYILCOLUDYIO-CGZBRXJRSA-N 2 1 353.507 0.839 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000941112803 666584286 /nfs/dbraw/zinc/58/42/86/666584286.db2.gz QQGBBTBVQATKFV-DLBZAZTESA-N 2 1 350.507 0.873 10 0 FCAEMP COC(=O)CCN1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)[C@@H](C)C1 ZINC000914330119 666742006 /nfs/dbraw/zinc/74/20/06/666742006.db2.gz KSFLGHVFKPUUQW-RDJZCZTQSA-N 2 1 373.519 0.371 10 0 FCAEMP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000921668726 667216006 /nfs/dbraw/zinc/21/60/06/667216006.db2.gz WLWGIVZCCAAQJD-DLBZAZTESA-N 2 1 369.579 0.891 10 0 FCAEMP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000923298638 667823216 /nfs/dbraw/zinc/82/32/16/667823216.db2.gz XYHIUQMXDGFQHQ-WTXIUTQJSA-N 2 1 357.520 0.532 10 0 FCAEMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000923298638 667823217 /nfs/dbraw/zinc/82/32/17/667823217.db2.gz XYHIUQMXDGFQHQ-WTXIUTQJSA-N 2 1 357.520 0.532 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000923501877 667842098 /nfs/dbraw/zinc/84/20/98/667842098.db2.gz WIFNPUAPWVVDDS-WBVHZDCISA-N 2 1 350.507 0.764 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000923501630 667842147 /nfs/dbraw/zinc/84/21/47/667842147.db2.gz UTWHUUAJTUFMLY-NEPJUHHUSA-N 2 1 354.401 0.936 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000779648262 668434026 /nfs/dbraw/zinc/43/40/26/668434026.db2.gz DDYCSGCELDKOSA-GJZGRUSLSA-N 2 1 354.451 0.231 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000779648262 668434028 /nfs/dbraw/zinc/43/40/28/668434028.db2.gz DDYCSGCELDKOSA-GJZGRUSLSA-N 2 1 354.451 0.231 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000784058526 668640917 /nfs/dbraw/zinc/64/09/17/668640917.db2.gz HGGHREAXARNFEL-GFCCVEGCSA-N 2 1 358.439 0.052 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000784058526 668640921 /nfs/dbraw/zinc/64/09/21/668640921.db2.gz HGGHREAXARNFEL-GFCCVEGCSA-N 2 1 358.439 0.052 10 0 FCAEMP CN(C[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000819288304 668994706 /nfs/dbraw/zinc/99/47/06/668994706.db2.gz XJKPWKQXLPCJHE-HNNXBMFYSA-N 2 1 358.527 0.830 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)CC1 ZINC000830105829 669754372 /nfs/dbraw/zinc/75/43/72/669754372.db2.gz PNVLJBUZNFRZEJ-HNNXBMFYSA-N 2 1 352.479 0.750 10 0 FCAEMP 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ZINC000854228935 671570380 /nfs/dbraw/zinc/57/03/80/671570380.db2.gz WINFODSCHPXAAB-DZGCQCFKSA-N 2 1 355.483 0.541 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000854228935 671570381 /nfs/dbraw/zinc/57/03/81/671570381.db2.gz WINFODSCHPXAAB-DZGCQCFKSA-N 2 1 355.483 0.541 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000855345984 671638104 /nfs/dbraw/zinc/63/81/04/671638104.db2.gz LVBDFYCMARNBKW-UONOGXRCSA-N 2 1 350.467 0.151 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000855345984 671638107 /nfs/dbraw/zinc/63/81/07/671638107.db2.gz LVBDFYCMARNBKW-UONOGXRCSA-N 2 1 350.467 0.151 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N(C)Cc1cccs1)C2 ZINC000903493397 675933313 /nfs/dbraw/zinc/93/33/13/675933313.db2.gz WURRELQGNRKDFR-AHIWAGSCSA-N 2 1 351.472 0.919 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn(C)nc1Br)C2 ZINC000903495286 675933645 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C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[C@H]1C[NH3+] ZINC000926326543 673823103 /nfs/dbraw/zinc/82/31/03/673823103.db2.gz OOSSTGBSNWWXCZ-HOTGVXAUSA-N 2 1 350.507 0.907 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)[C@@H](C)C1 ZINC000926349194 673825484 /nfs/dbraw/zinc/82/54/84/673825484.db2.gz ZBKKQRWDQMWETJ-TXPKVOOTSA-N 2 1 350.507 0.920 10 0 FCAEMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)CC2 ZINC000926348883 673825517 /nfs/dbraw/zinc/82/55/17/673825517.db2.gz WFBPBMQNUOFUQF-HZMVEIRTSA-N 2 1 350.507 0.903 10 0 FCAEMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000926442708 673831564 /nfs/dbraw/zinc/83/15/64/673831564.db2.gz LSHYKXFKBLXZKB-LPHOPBHVSA-N 2 1 350.507 0.777 10 0 FCAEMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000926442708 673831568 /nfs/dbraw/zinc/83/15/68/673831568.db2.gz LSHYKXFKBLXZKB-LPHOPBHVSA-N 2 1 350.507 0.777 10 0 FCAEMP 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C[C@H](CNC(=O)C[NH+]1CC[C@]2(CCOC2)C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000929827051 673979284 /nfs/dbraw/zinc/97/92/84/673979284.db2.gz RRIPJZNESNHHFI-NEWSRXKRSA-N 2 1 351.491 0.716 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CC[C@]2(CCOC2)C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000929827051 673979285 /nfs/dbraw/zinc/97/92/85/673979285.db2.gz RRIPJZNESNHHFI-NEWSRXKRSA-N 2 1 351.491 0.716 10 0 FCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000929929203 673985796 /nfs/dbraw/zinc/98/57/96/673985796.db2.gz JMTBLFSOLOCLOD-ZBFHGGJFSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929929203 673985798 /nfs/dbraw/zinc/98/57/98/673985798.db2.gz JMTBLFSOLOCLOD-ZBFHGGJFSA-N 2 1 354.495 0.202 10 0 FCAEMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929929203 673985799 /nfs/dbraw/zinc/98/57/99/673985799.db2.gz JMTBLFSOLOCLOD-ZBFHGGJFSA-N 2 1 354.495 0.202 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000929932569 673986092 /nfs/dbraw/zinc/98/60/92/673986092.db2.gz DMSSYGKRPZRUIT-ICIBYLBGSA-N 2 1 350.507 0.633 10 0 FCAEMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929930414 673986106 /nfs/dbraw/zinc/98/61/06/673986106.db2.gz ZSKAVCIUQIHSBL-RRFJBIMHSA-N 2 1 356.536 0.529 10 0 FCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000929930414 673986108 /nfs/dbraw/zinc/98/61/08/673986108.db2.gz ZSKAVCIUQIHSBL-RRFJBIMHSA-N 2 1 356.536 0.529 10 0 FCAEMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929930414 673986111 /nfs/dbraw/zinc/98/61/11/673986111.db2.gz ZSKAVCIUQIHSBL-RRFJBIMHSA-N 2 1 356.536 0.529 10 0 FCAEMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929930414 673986113 /nfs/dbraw/zinc/98/61/13/673986113.db2.gz ZSKAVCIUQIHSBL-RRFJBIMHSA-N 2 1 356.536 0.529 10 0 FCAEMP 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ZINC000902323299 675846559 /nfs/dbraw/zinc/84/65/59/675846559.db2.gz CDPUTAVZHQEAHZ-HNNXBMFYSA-N 3 1 355.483 0.195 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001719579359 1168365216 /nfs/dbraw/zinc/36/52/16/1168365216.db2.gz GLQBOZYWAYHVQU-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001719579359 1168365225 /nfs/dbraw/zinc/36/52/25/1168365225.db2.gz GLQBOZYWAYHVQU-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001719579359 1168365231 /nfs/dbraw/zinc/36/52/31/1168365231.db2.gz GLQBOZYWAYHVQU-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000122064384 1169258076 /nfs/dbraw/zinc/25/80/76/1169258076.db2.gz BYVZQWQKYUYORM-ZBFHGGJFSA-N 2 1 362.478 0.326 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)COCC(C)C)C[C@H]32)CC[N@H+]1C 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ZINC001483008184 1192698268 /nfs/dbraw/zinc/69/82/68/1192698268.db2.gz HOLLSVNZSFYODL-YYVJBKDVSA-N 2 1 367.494 0.213 10 0 FCAEMP CCN1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000897832078 1192847635 /nfs/dbraw/zinc/84/76/35/1192847635.db2.gz FVTSAKSJPAPHGW-JQHSSLGASA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000897832078 1192847636 /nfs/dbraw/zinc/84/76/36/1192847636.db2.gz FVTSAKSJPAPHGW-JQHSSLGASA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000897832078 1192847637 /nfs/dbraw/zinc/84/76/37/1192847637.db2.gz FVTSAKSJPAPHGW-JQHSSLGASA-N 2 1 358.486 0.834 10 0 FCAEMP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000897832078 1192847642 /nfs/dbraw/zinc/84/76/42/1192847642.db2.gz FVTSAKSJPAPHGW-JQHSSLGASA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000897975138 1192852118 /nfs/dbraw/zinc/85/21/18/1192852118.db2.gz CJSXABKWLGTNOL-CRAIPNDOSA-N 2 1 373.501 0.934 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000898005958 1192853722 /nfs/dbraw/zinc/85/37/22/1192853722.db2.gz LUXPRQNBKZJOAO-VKJFTORMSA-N 2 1 371.485 0.718 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@H]1c1ccccc1 ZINC000842030985 1192859136 /nfs/dbraw/zinc/85/91/36/1192859136.db2.gz DINBGXZTOQCPMV-SQGPQFPESA-N 2 1 356.470 0.903 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001719684445 1179364754 /nfs/dbraw/zinc/36/47/54/1179364754.db2.gz UKSVANGAVJMIPX-VIPLHTEESA-N 2 1 364.534 0.975 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001719684445 1179364765 /nfs/dbraw/zinc/36/47/65/1179364765.db2.gz UKSVANGAVJMIPX-VIPLHTEESA-N 2 1 364.534 0.975 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001719684445 1179364775 /nfs/dbraw/zinc/36/47/75/1179364775.db2.gz UKSVANGAVJMIPX-VIPLHTEESA-N 2 1 364.534 0.975 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001719712608 1179682448 /nfs/dbraw/zinc/68/24/48/1179682448.db2.gz KVMHQACERVISHZ-GDBMZVCRSA-N 2 1 359.474 0.498 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1C ZINC001719735334 1179837841 /nfs/dbraw/zinc/83/78/41/1179837841.db2.gz MAOGPUKZHAMSST-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001719735334 1179837846 /nfs/dbraw/zinc/83/78/46/1179837846.db2.gz MAOGPUKZHAMSST-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP CC[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001719735334 1179837847 /nfs/dbraw/zinc/83/78/47/1179837847.db2.gz MAOGPUKZHAMSST-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001719762424 1179908135 /nfs/dbraw/zinc/90/81/35/1179908135.db2.gz CTWWWBRGQMQQKE-IAGOWNOFSA-N 2 1 368.522 0.261 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)Nc1cnccn1 ZINC001267805416 1183063624 /nfs/dbraw/zinc/06/36/24/1183063624.db2.gz PYINGKXVUJIZDW-SOUVJXGZSA-N 2 1 362.478 0.630 10 0 FCAEMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001719847216 1186352326 /nfs/dbraw/zinc/35/23/26/1186352326.db2.gz HBBAOXYCDGZZBM-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H](O)COCC(F)(F)F)C2)CC[N@H+]1C ZINC001481625555 1186598189 /nfs/dbraw/zinc/59/81/89/1186598189.db2.gz IBBXBMXBLFPEIY-MRVWCRGKSA-N 2 1 367.412 0.314 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC001268237648 1186648444 /nfs/dbraw/zinc/64/84/44/1186648444.db2.gz SFWQCJHGNHLHGL-YESZJQIVSA-N 2 1 368.522 0.090 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)C[C@H](O)CN2CCCC2=O)CC[NH+]1C ZINC001268237648 1186648445 /nfs/dbraw/zinc/64/84/45/1186648445.db2.gz SFWQCJHGNHLHGL-YESZJQIVSA-N 2 1 368.522 0.090 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@H](O)CN2CCCC2=O)CC[NH+]1C ZINC001268237648 1186648448 /nfs/dbraw/zinc/64/84/48/1186648448.db2.gz SFWQCJHGNHLHGL-YESZJQIVSA-N 2 1 368.522 0.090 10 0 FCAEMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1n1cccn1 ZINC000549939305 1187749610 /nfs/dbraw/zinc/74/96/10/1187749610.db2.gz JYLHNZICCYWPEU-KURKYZTESA-N 2 1 371.489 0.933 10 0 FCAEMP C[C@@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482283882 1188126254 /nfs/dbraw/zinc/12/62/54/1188126254.db2.gz QYDKRQBZNXNLGW-QJPTWQEYSA-N 2 1 354.480 0.253 10 0 FCAEMP CN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000550034402 1188213832 /nfs/dbraw/zinc/21/38/32/1188213832.db2.gz LNZPOCWHVCCMLM-RBUKOAKNSA-N 2 1 372.513 0.971 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896072201 1189932178 /nfs/dbraw/zinc/93/21/78/1189932178.db2.gz DKHDFYXEOVWWER-KRWDZBQOSA-N 2 1 366.506 0.156 10 0 FCAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000552937769 1193961487 /nfs/dbraw/zinc/96/14/87/1193961487.db2.gz OAORLCBIXJSAHA-IRXDYDNUSA-N 2 1 368.522 0.594 10 0 FCAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000552937769 1193961489 /nfs/dbraw/zinc/96/14/89/1193961489.db2.gz OAORLCBIXJSAHA-IRXDYDNUSA-N 2 1 368.522 0.594 10 0 FCAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000552937769 1193961490 /nfs/dbraw/zinc/96/14/90/1193961490.db2.gz OAORLCBIXJSAHA-IRXDYDNUSA-N 2 1 368.522 0.594 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000842228736 1194108553 /nfs/dbraw/zinc/10/85/53/1194108553.db2.gz AVEZIQXTZJMNEB-CRAIPNDOSA-N 2 1 360.502 0.993 10 0 FCAEMP COCC[N@H+]1CCCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000906411258 1195628774 /nfs/dbraw/zinc/62/87/74/1195628774.db2.gz NWPDGOHFYVOMBR-UHFFFAOYSA-N 2 1 364.490 0.615 10 0 FCAEMP COCCN1CCCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000906411258 1195628779 /nfs/dbraw/zinc/62/87/79/1195628779.db2.gz NWPDGOHFYVOMBR-UHFFFAOYSA-N 2 1 364.490 0.615 10 0 FCAEMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000911892411 1196318515 /nfs/dbraw/zinc/31/85/15/1196318515.db2.gz LRQWPFNNGDMRLD-RCLSDMTESA-N 2 1 373.497 0.943 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000911892411 1196318516 /nfs/dbraw/zinc/31/85/16/1196318516.db2.gz LRQWPFNNGDMRLD-RCLSDMTESA-N 2 1 373.497 0.943 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000911892411 1196318519 /nfs/dbraw/zinc/31/85/19/1196318519.db2.gz LRQWPFNNGDMRLD-RCLSDMTESA-N 2 1 373.497 0.943 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000911892411 1196318524 /nfs/dbraw/zinc/31/85/24/1196318524.db2.gz LRQWPFNNGDMRLD-RCLSDMTESA-N 2 1 373.497 0.943 10 0 FCAEMP C[NH+]1CCC(N(CCO)C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000911935544 1196322570 /nfs/dbraw/zinc/32/25/70/1196322570.db2.gz UVDRWGZSGLJNEK-UHFFFAOYSA-N 2 1 374.529 0.719 10 0 FCAEMP C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385636 1196343731 /nfs/dbraw/zinc/34/37/31/1196343731.db2.gz JUYJNXZEUDDVGA-QUCCMNQESA-N 2 1 361.486 0.716 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385636 1196343736 /nfs/dbraw/zinc/34/37/36/1196343736.db2.gz JUYJNXZEUDDVGA-QUCCMNQESA-N 2 1 361.486 0.716 10 0 FCAEMP C[NH+]1CCC[C@](O)(CC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000912385636 1196343741 /nfs/dbraw/zinc/34/37/41/1196343741.db2.gz JUYJNXZEUDDVGA-QUCCMNQESA-N 2 1 361.486 0.716 10 0 FCAEMP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)C1C[NH+]([C@H]2CCOC2)C1 ZINC000828717571 1197948027 /nfs/dbraw/zinc/94/80/27/1197948027.db2.gz YCFDCCCNJJWEHJ-YSIASYRMSA-N 2 1 373.497 0.706 10 0 FCAEMP CC[NH+]1CCN(c2ccc(NC[C@H](O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000819396091 1203155893 /nfs/dbraw/zinc/15/58/93/1203155893.db2.gz YMHUETRGJUDCPF-FQEVSTJZSA-N 2 1 361.534 0.849 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846329824 1204610923 /nfs/dbraw/zinc/61/09/23/1204610923.db2.gz NVOMPEQHZKAZPC-IRXDYDNUSA-N 2 1 360.458 0.002 10 0 FCAEMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)[C@@H]1CCC[C@H]1O ZINC001146731337 1204738993 /nfs/dbraw/zinc/73/89/93/1204738993.db2.gz FQJYTIHFNGMEBR-GUDVDZBRSA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCC[C@H]1O ZINC001146731337 1204738998 /nfs/dbraw/zinc/73/89/98/1204738998.db2.gz FQJYTIHFNGMEBR-GUDVDZBRSA-N 2 1 361.486 0.715 10 0 FCAEMP C[NH+](CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCC[C@H]1O ZINC001146731337 1204739003 /nfs/dbraw/zinc/73/90/03/1204739003.db2.gz FQJYTIHFNGMEBR-GUDVDZBRSA-N 2 1 361.486 0.715 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC001488003267 1208418974 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/nfs/dbraw/zinc/81/96/65/1208819665.db2.gz LMGSNQVFNMWGEY-BZUAXINKSA-N 2 1 356.511 0.135 10 0 FCAEMP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1OC)[NH+](C)C ZINC001489528571 1208883638 /nfs/dbraw/zinc/88/36/38/1208883638.db2.gz AXLDUIZMVKAXIR-BZUAXINKSA-N 2 1 354.495 0.153 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001489588816 1209008277 /nfs/dbraw/zinc/00/82/77/1209008277.db2.gz JGOQDANBWOGOEA-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001489588816 1209008281 /nfs/dbraw/zinc/00/82/81/1209008281.db2.gz JGOQDANBWOGOEA-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001489588816 1209008284 /nfs/dbraw/zinc/00/82/84/1209008284.db2.gz JGOQDANBWOGOEA-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649848 1209036132 /nfs/dbraw/zinc/03/61/32/1209036132.db2.gz CQPUDMDTKTZHKP-BRWVUGGUSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649848 1209036138 /nfs/dbraw/zinc/03/61/38/1209036138.db2.gz CQPUDMDTKTZHKP-BRWVUGGUSA-N 2 1 364.534 0.975 10 0 FCAEMP C[NH+](CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)CC(C)(C)C ZINC001489649848 1209036144 /nfs/dbraw/zinc/03/61/44/1209036144.db2.gz CQPUDMDTKTZHKP-BRWVUGGUSA-N 2 1 364.534 0.975 10 0 FCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001489653168 1209039600 /nfs/dbraw/zinc/03/96/00/1209039600.db2.gz JKCVCQVQGPYYEY-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001489931972 1209165549 /nfs/dbraw/zinc/16/55/49/1209165549.db2.gz XAZMKMXCPCRENZ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001490127144 1209268309 /nfs/dbraw/zinc/26/83/09/1209268309.db2.gz RDXVMYORIVFONH-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001490332641 1209321765 /nfs/dbraw/zinc/32/17/65/1209321765.db2.gz ZSCJKFIUJDONAK-IAGOWNOFSA-N 2 1 368.522 0.261 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C2CC2)CC[N@H+]1C ZINC001490664445 1209408394 /nfs/dbraw/zinc/40/83/94/1209408394.db2.gz JZXOZGSAWSVYRO-ARFHVFGLSA-N 2 1 364.490 0.350 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001490705916 1209409616 /nfs/dbraw/zinc/40/96/16/1209409616.db2.gz OYWAWOSKENCGKS-INWMFGNUSA-N 2 1 363.462 0.550 10 0 FCAEMP CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000850582299 1209459561 /nfs/dbraw/zinc/45/95/61/1209459561.db2.gz DCFCVFFYUXRITN-INIZCTEOSA-N 2 1 373.501 0.930 10 0 FCAEMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000852754614 1209562644 /nfs/dbraw/zinc/56/26/44/1209562644.db2.gz YBSCLGANRNATFY-KRWDZBQOSA-N 2 1 366.506 0.999 10 0 FCAEMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852863690 1209568531 /nfs/dbraw/zinc/56/85/31/1209568531.db2.gz XWOBQLCGYHKEKE-HNNXBMFYSA-N 2 1 359.430 0.506 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)c2)C1 ZINC000852866172 1209569460 /nfs/dbraw/zinc/56/94/60/1209569460.db2.gz UJWPPIYTSXFGMQ-HOTGVXAUSA-N 2 1 373.457 0.104 10 0 FCAEMP CN(C[C@H]1CCC[N@H+]1C)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852921427 1209578443 /nfs/dbraw/zinc/57/84/43/1209578443.db2.gz MOYZUCZRFRONRL-DLBZAZTESA-N 2 1 361.538 0.940 10 0 FCAEMP CC1=C(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](C)n2nnnc2N1C ZINC000855346398 1209666004 /nfs/dbraw/zinc/66/60/04/1209666004.db2.gz AEQLEEJQXOKSKJ-JSGCOSHPSA-N 2 1 364.498 0.346 10 0 FCAEMP CC1=C(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](C)n2nnnc2N1C ZINC000855346398 1209666008 /nfs/dbraw/zinc/66/60/08/1209666008.db2.gz AEQLEEJQXOKSKJ-JSGCOSHPSA-N 2 1 364.498 0.346 10 0 FCAEMP CCN(C(=O)CC(O)CC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](C)C1 ZINC000855361263 1209667148 /nfs/dbraw/zinc/66/71/48/1209667148.db2.gz UJLLFMNYOJQZTL-HOTGVXAUSA-N 2 1 368.522 0.233 10 0 FCAEMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)NC(N)=O)C2)ccn1 ZINC000856600316 1209717628 /nfs/dbraw/zinc/71/76/28/1209717628.db2.gz YCYWSYQVNBCJQR-XJKSGUPXSA-N 2 1 363.462 0.958 10 0 FCAEMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)NC(N)=O)C2)ccn1 ZINC000856600316 1209717630 /nfs/dbraw/zinc/71/76/30/1209717630.db2.gz YCYWSYQVNBCJQR-XJKSGUPXSA-N 2 1 363.462 0.958 10 0 FCAEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)ccn1 ZINC000856600316 1209717633 /nfs/dbraw/zinc/71/76/33/1209717633.db2.gz YCYWSYQVNBCJQR-XJKSGUPXSA-N 2 1 363.462 0.958 10 0 FCAEMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)ccn1 ZINC000856600316 1209717637 /nfs/dbraw/zinc/71/76/37/1209717637.db2.gz YCYWSYQVNBCJQR-XJKSGUPXSA-N 2 1 363.462 0.958 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000861510785 1209869312 /nfs/dbraw/zinc/86/93/12/1209869312.db2.gz LHAPPLUIAIFELT-AWEZNQCLSA-N 2 1 354.414 0.915 10 0 FCAEMP CC[N@@H+](CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(C)C ZINC000861569748 1209871890 /nfs/dbraw/zinc/87/18/90/1209871890.db2.gz DBFOUWLGHKFKNN-CVEARBPZSA-N 2 1 367.494 0.683 10 0 FCAEMP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549575 1209944442 /nfs/dbraw/zinc/94/44/42/1209944442.db2.gz GLHMPWXJDLYAFV-OLMNPRSZSA-N 2 1 372.469 0.948 10 0 FCAEMP Cc1ccccc1CNC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550202 1209944974 /nfs/dbraw/zinc/94/49/74/1209944974.db2.gz PHENAJVGHSJIOC-MSOLQXFVSA-N 2 1 372.469 0.868 10 0 FCAEMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709234 1210002617 /nfs/dbraw/zinc/00/26/17/1210002617.db2.gz JJJONLXNABKLJP-UAGQMJEPSA-N 2 1 374.441 0.891 10 0 FCAEMP 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10 0 FCAEMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866710409 1210003582 /nfs/dbraw/zinc/00/35/82/1210003582.db2.gz QJHBUFQKTRXULA-YYQUZTFQSA-N 2 1 362.474 0.643 10 0 FCAEMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712106 1210003660 /nfs/dbraw/zinc/00/36/60/1210003660.db2.gz RBVXZTYIRCZJJW-AHCXZYCDSA-N 3 1 360.458 0.604 10 0 FCAEMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712106 1210003663 /nfs/dbraw/zinc/00/36/63/1210003663.db2.gz RBVXZTYIRCZJJW-AHCXZYCDSA-N 3 1 360.458 0.604 10 0 FCAEMP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710511 1210003900 /nfs/dbraw/zinc/00/39/00/1210003900.db2.gz YWRGSZJVLMMOIB-YVSFHVDLSA-N 2 1 358.442 0.683 10 0 FCAEMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710511 1210003902 /nfs/dbraw/zinc/00/39/02/1210003902.db2.gz 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359.536 0.492 10 0 FCAEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001571387783 1269930748 /nfs/dbraw/zinc/93/07/48/1269930748.db2.gz CABSJVJXRIJXEC-IIAWOOMASA-N 2 1 354.495 0.058 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc3n(n2)CCC3)CC[N@H+]1C ZINC001571580361 1269938680 /nfs/dbraw/zinc/93/86/80/1269938680.db2.gz OMXYKZWDNPFPLS-OKZBNKHCSA-N 2 1 363.506 0.469 10 0 FCAEMP Cc1cc(C[NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001571674219 1269950189 /nfs/dbraw/zinc/95/01/89/1269950189.db2.gz UJRYFNVOIRJJPJ-NVXWUHKLSA-N 2 1 351.495 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)CC[NH+](C)C)CCC[C@H]23)CC[N@H+]1C ZINC001572425116 1270057458 /nfs/dbraw/zinc/05/74/58/1270057458.db2.gz UPLUUEWHZKPLPP-OAFZBRQQSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001344311859 1270145258 /nfs/dbraw/zinc/14/52/58/1270145258.db2.gz NOMUTEBAYPGLFO-ARFHVFGLSA-N 2 1 366.506 0.060 10 0 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CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001703707122 1286130597 /nfs/dbraw/zinc/13/05/97/1286130597.db2.gz GNIUWAWIZFYGFL-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP CCc1[nH+]ccn1CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC001595406632 1286247010 /nfs/dbraw/zinc/24/70/10/1286247010.db2.gz LKSLNCUGWVQENP-JKSUJKDBSA-N 2 1 361.490 0.895 10 0 FCAEMP CCc1[nH+]ccn1CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC001595406632 1286247015 /nfs/dbraw/zinc/24/70/15/1286247015.db2.gz LKSLNCUGWVQENP-JKSUJKDBSA-N 2 1 361.490 0.895 10 0 FCAEMP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001707027362 1286434686 /nfs/dbraw/zinc/43/46/86/1286434686.db2.gz URNZWSMMSIUPDM-ZIAGYGMSSA-N 2 1 350.467 0.085 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001707027362 1286434688 /nfs/dbraw/zinc/43/46/88/1286434688.db2.gz URNZWSMMSIUPDM-ZIAGYGMSSA-N 2 1 350.467 0.085 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001707150147 1286473185 /nfs/dbraw/zinc/47/31/85/1286473185.db2.gz KZESNPUIIKROFW-GVDBMIGSSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001707156052 1286478979 /nfs/dbraw/zinc/47/89/79/1286478979.db2.gz ALWHEDFGFQQXHD-DVOMOZLQSA-N 2 1 362.478 0.492 10 0 FCAEMP C[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001707156052 1286478987 /nfs/dbraw/zinc/47/89/87/1286478987.db2.gz ALWHEDFGFQQXHD-DVOMOZLQSA-N 2 1 362.478 0.492 10 0 FCAEMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001735959169 1289087077 /nfs/dbraw/zinc/08/70/77/1289087077.db2.gz SGRGECJCPBWQRL-CABCVRRESA-N 2 1 365.478 0.036 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001707265888 1287124675 /nfs/dbraw/zinc/12/46/75/1287124675.db2.gz WZNOHNHJMDLOMM-WBVHZDCISA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001707265888 1287124680 /nfs/dbraw/zinc/12/46/80/1287124680.db2.gz WZNOHNHJMDLOMM-WBVHZDCISA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@@H](O)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001707278216 1287131868 /nfs/dbraw/zinc/13/18/68/1287131868.db2.gz PVUWRWFPABDVTA-JHJVBQTASA-N 2 1 352.504 0.838 10 0 FCAEMP Cc1nccn1CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001719171779 1287823972 /nfs/dbraw/zinc/82/39/72/1287823972.db2.gz PQBFVVASPQNCMH-HYVNUMGLSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001719171779 1287823979 /nfs/dbraw/zinc/82/39/79/1287823979.db2.gz PQBFVVASPQNCMH-HYVNUMGLSA-N 2 1 361.490 0.887 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001719171779 1287823985 /nfs/dbraw/zinc/82/39/85/1287823985.db2.gz PQBFVVASPQNCMH-HYVNUMGLSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719199387 1287860583 /nfs/dbraw/zinc/86/05/83/1287860583.db2.gz PFWQYBLQHMDPPM-CZUORRHYSA-N 2 1 365.478 0.655 10 0 FCAEMP CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001719245356 1287939381 /nfs/dbraw/zinc/93/93/81/1287939381.db2.gz RILUMQXCNOCRLQ-HUUCEWRRSA-N 2 1 354.495 0.012 10 0 FCAEMP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CCC1 ZINC001719454512 1288122523 /nfs/dbraw/zinc/12/25/23/1288122523.db2.gz GSDQGWSWDDOWGO-ARFHVFGLSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001720490414 1288234530 /nfs/dbraw/zinc/23/45/30/1288234530.db2.gz BPBXOGMGDANWJS-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001720490414 1288234534 /nfs/dbraw/zinc/23/45/34/1288234534.db2.gz BPBXOGMGDANWJS-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001720490414 1288234539 /nfs/dbraw/zinc/23/45/39/1288234539.db2.gz BPBXOGMGDANWJS-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+]1CCO[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001720490414 1288234543 /nfs/dbraw/zinc/23/45/43/1288234543.db2.gz BPBXOGMGDANWJS-OAGGEKHMSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)CC[NH+](C)C)CC2)CC[N@H+]1C ZINC001721318324 1288330237 /nfs/dbraw/zinc/33/02/37/1288330237.db2.gz CKZKZFRPIHFFCR-NVXWUHKLSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CC(=O)N(C)CC)CC2)CC[N@@H+]1C ZINC001725017806 1288458550 /nfs/dbraw/zinc/45/85/50/1288458550.db2.gz SLFFSPZXONZCNQ-JKSUJKDBSA-N 2 1 368.522 0.138 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CO)CC[NH+](CC(=O)N(C)CC)CC2)CC[N@H+]1C ZINC001725017806 1288458554 /nfs/dbraw/zinc/45/85/54/1288458554.db2.gz SLFFSPZXONZCNQ-JKSUJKDBSA-N 2 1 368.522 0.138 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@H+]1C ZINC001725016153 1288458816 /nfs/dbraw/zinc/45/88/16/1288458816.db2.gz BEYCVDHFIQECQB-IXDOHACOSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001725454833 1288468690 /nfs/dbraw/zinc/46/86/90/1288468690.db2.gz RGMQJWLBLKIVJE-KBRIMQKVSA-N 2 1 350.507 0.774 10 0 FCAEMP CC(C)c1nsc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001725693984 1288472775 /nfs/dbraw/zinc/47/27/75/1288472775.db2.gz GIPPEMQZLCJCNZ-MGPQQGTHSA-N 2 1 369.535 0.911 10 0 FCAEMP CC(C)c1nsc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001725693984 1288472777 /nfs/dbraw/zinc/47/27/77/1288472777.db2.gz GIPPEMQZLCJCNZ-MGPQQGTHSA-N 2 1 369.535 0.911 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001732419836 1288583610 /nfs/dbraw/zinc/58/36/10/1288583610.db2.gz GMVQQBIWCOAFJF-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)N(C)CC1CC1 ZINC001732563384 1288585653 /nfs/dbraw/zinc/58/56/53/1288585653.db2.gz RYBJQUNVZZMCIL-DJIMGWMZSA-N 2 1 352.523 0.925 10 0 FCAEMP CCN(CC[NH2+]Cc1nnnn1-c1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732773706 1288593697 /nfs/dbraw/zinc/59/36/97/1288593697.db2.gz DDQGTWZAKUIYSB-NVXWUHKLSA-N 2 1 371.489 0.941 10 0 FCAEMP CCN(CC[NH2+]Cc1nnnn1-c1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732773706 1288593701 /nfs/dbraw/zinc/59/37/01/1288593701.db2.gz DDQGTWZAKUIYSB-NVXWUHKLSA-N 2 1 371.489 0.941 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N(C)CC)C[C@H]32)CC[N@H+]1C ZINC001734161079 1288644215 /nfs/dbraw/zinc/64/42/15/1288644215.db2.gz QOMOWHLYYAEKBF-SMLCLMEVSA-N 2 1 350.507 0.489 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)CC)C[C@H]32)CC[NH+]1C ZINC001734161079 1288644218 /nfs/dbraw/zinc/64/42/18/1288644218.db2.gz QOMOWHLYYAEKBF-SMLCLMEVSA-N 2 1 350.507 0.489 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)CC)C[C@H]32)CC[NH+]1C ZINC001734161079 1288644222 /nfs/dbraw/zinc/64/42/22/1288644222.db2.gz QOMOWHLYYAEKBF-SMLCLMEVSA-N 2 1 350.507 0.489 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H](C)C(=O)NC3CC3)C2)CC[N@H+]1C ZINC001734208338 1288645794 /nfs/dbraw/zinc/64/57/94/1288645794.db2.gz JBOUCPSVAUFSEV-XPYWIHLFSA-N 2 1 350.507 0.868 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001734325780 1288648286 /nfs/dbraw/zinc/64/82/86/1288648286.db2.gz CCXPIVDKQMZLQI-SOUVJXGZSA-N 2 1 362.540 0.045 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2c(C)csc2=O)CC[N@H+]1C ZINC001734368165 1288651461 /nfs/dbraw/zinc/65/14/61/1288651461.db2.gz IFAPFZLULVKNJE-QLFBSQMISA-N 2 1 370.519 0.015 10 0 FCAEMP COc1ccnc(C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001734539434 1288658434 /nfs/dbraw/zinc/65/84/34/1288658434.db2.gz PWBMDDXPLLCFGZ-UWWQBHOKSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1ccnc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001734539434 1288658438 /nfs/dbraw/zinc/65/84/38/1288658438.db2.gz PWBMDDXPLLCFGZ-UWWQBHOKSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1ccnc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001734539434 1288658441 /nfs/dbraw/zinc/65/84/41/1288658441.db2.gz PWBMDDXPLLCFGZ-UWWQBHOKSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1ccnc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001734539434 1288658443 /nfs/dbraw/zinc/65/84/43/1288658443.db2.gz PWBMDDXPLLCFGZ-UWWQBHOKSA-N 2 1 364.490 0.682 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001734559954 1288660644 /nfs/dbraw/zinc/66/06/44/1288660644.db2.gz FRBLTGOPWADCKW-MGPQQGTHSA-N 2 1 369.510 0.293 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C3(C[NH+](C)C)CC3)CC2)CC[N@H+]1C ZINC001735530647 1288757379 /nfs/dbraw/zinc/75/73/79/1288757379.db2.gz OFDRWBBCEHJXRR-NVXWUHKLSA-N 2 1 362.518 0.943 10 0 FCAEMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1C ZINC001736376619 1289293455 /nfs/dbraw/zinc/29/34/55/1289293455.db2.gz RCXHCXPEKABSIK-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001736376619 1289293459 /nfs/dbraw/zinc/29/34/59/1289293459.db2.gz RCXHCXPEKABSIK-QBPKDAKJSA-N 2 1 352.523 0.879 10 0 FCAEMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001700753109 1289606638 /nfs/dbraw/zinc/60/66/38/1289606638.db2.gz UZEGTWHTDLDIBG-RRFJBIMHSA-N 2 1 359.536 0.588 10 0 FCAEMP CCCc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001700790830 1289607236 /nfs/dbraw/zinc/60/72/36/1289607236.db2.gz FEKFHNUDMBZANU-QLFBSQMISA-N 2 1 352.479 0.842 10 0 FCAEMP CCCc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001700790830 1289607242 /nfs/dbraw/zinc/60/72/42/1289607242.db2.gz FEKFHNUDMBZANU-QLFBSQMISA-N 2 1 352.479 0.842 10 0 FCAEMP CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001700936016 1289615916 /nfs/dbraw/zinc/61/59/16/1289615916.db2.gz BATUTKGMJJIMGH-HZSPNIEDSA-N 2 1 369.535 0.911 10 0 FCAEMP CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001700936016 1289615928 /nfs/dbraw/zinc/61/59/28/1289615928.db2.gz BATUTKGMJJIMGH-HZSPNIEDSA-N 2 1 369.535 0.911 10 0 FCAEMP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738251858 1289650593 /nfs/dbraw/zinc/65/05/93/1289650593.db2.gz QALQRYVHGPHSAO-RRFJBIMHSA-N 2 1 361.490 0.970 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001739385384 1289894464 /nfs/dbraw/zinc/89/44/64/1289894464.db2.gz CDIOAVUFRHRXCM-YESZJQIVSA-N 2 1 350.507 0.870 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001739385384 1289894477 /nfs/dbraw/zinc/89/44/77/1289894477.db2.gz CDIOAVUFRHRXCM-YESZJQIVSA-N 2 1 350.507 0.870 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001739385384 1289894488 /nfs/dbraw/zinc/89/44/88/1289894488.db2.gz CDIOAVUFRHRXCM-YESZJQIVSA-N 2 1 350.507 0.870 10 0 FCAEMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001702281418 1289956181 /nfs/dbraw/zinc/95/61/81/1289956181.db2.gz JSYZJGUCSGYWDM-ARFHVFGLSA-N 2 1 350.507 0.633 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@](C)(Cn1cccn1)C(N)=O)c1ccccc1 ZINC001620657618 1290015362 /nfs/dbraw/zinc/01/53/62/1290015362.db2.gz WGXAUSAUTSHXFA-VQIMIIECSA-N 2 1 372.473 0.136 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001702362420 1290132172 /nfs/dbraw/zinc/13/21/72/1290132172.db2.gz YTFQUUVQJQGLJQ-IKGGRYGDSA-N 2 1 368.522 0.281 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(CNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001748158408 1290596075 /nfs/dbraw/zinc/59/60/75/1290596075.db2.gz OVIKPVKZMWIWDP-MDZRGWNJSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC[C@@H]2CCOC2)[C@@H]1C ZINC001750927366 1290606317 /nfs/dbraw/zinc/60/63/17/1290606317.db2.gz MMQGCVATNYFYMF-PMPSAXMXSA-N 2 1 354.495 0.058 10 0 FCAEMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001750927004 1290606665 /nfs/dbraw/zinc/60/66/65/1290606665.db2.gz DTXHVVCJJXQXPH-HIFRSBDPSA-N 2 1 371.507 0.100 10 0 FCAEMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001750927004 1290606672 /nfs/dbraw/zinc/60/66/72/1290606672.db2.gz DTXHVVCJJXQXPH-HIFRSBDPSA-N 2 1 371.507 0.100 10 0 FCAEMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001757646178 1290797193 /nfs/dbraw/zinc/79/71/93/1290797193.db2.gz YWGACQOZPRNHOR-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001757646178 1290797198 /nfs/dbraw/zinc/79/71/98/1290797198.db2.gz YWGACQOZPRNHOR-ZACQAIPSSA-N 2 1 368.522 0.260 10 0 FCAEMP 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C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001684804459 1292338919 /nfs/dbraw/zinc/33/89/19/1292338919.db2.gz AGDMBGYJOITJQX-MSOLQXFVSA-N 3 1 370.586 0.536 10 0 FCAEMP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CN(C)CCN1C ZINC001684804459 1292338927 /nfs/dbraw/zinc/33/89/27/1292338927.db2.gz AGDMBGYJOITJQX-MSOLQXFVSA-N 2 1 370.586 0.536 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001685540622 1292551259 /nfs/dbraw/zinc/55/12/59/1292551259.db2.gz BPWIYKOUPLYVMU-QFBILLFUSA-N 2 1 364.534 0.975 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C[NH+](C)C)CC1 ZINC001686096834 1292765158 /nfs/dbraw/zinc/76/51/58/1292765158.db2.gz JEASJRKFGSIYOJ-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@]3(CCCOC3)C1)C2=O ZINC000747470426 836245796 /nfs/dbraw/zinc/24/57/96/836245796.db2.gz CUVDJKOODQKKTO-KRWDZBQOSA-N 2 1 350.463 0.853 10 0 FCAEMP 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DBGMXEJVPHQJFM-CYBMUJFWSA-N 2 1 364.515 0.821 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000419226186 246064019 /nfs/dbraw/zinc/06/40/19/246064019.db2.gz DBGMXEJVPHQJFM-CYBMUJFWSA-N 2 1 364.515 0.821 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419228484 246067644 /nfs/dbraw/zinc/06/76/44/246067644.db2.gz GSQFDHQXDNOOFJ-UKRRQHHQSA-N 2 1 364.515 0.869 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419228484 246067652 /nfs/dbraw/zinc/06/76/52/246067652.db2.gz GSQFDHQXDNOOFJ-UKRRQHHQSA-N 2 1 364.515 0.869 10 0 FCAEMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419305538 246093358 /nfs/dbraw/zinc/09/33/58/246093358.db2.gz XBAQRCBZVSVDDP-SJORKVTESA-N 2 1 373.432 0.790 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[N@H+]1C1CC1 ZINC000419317201 246098191 /nfs/dbraw/zinc/09/81/91/246098191.db2.gz MNDWJKRACFYWTL-YHMBPXRFSA-N 2 1 374.529 0.998 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000419407181 246138593 /nfs/dbraw/zinc/13/85/93/246138593.db2.gz JUSIAYSWUOYXIQ-HZPDHXFCSA-N 2 1 355.527 0.109 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCNC[C@H]2c2cccnc2)C1 ZINC000419409634 246142684 /nfs/dbraw/zinc/14/26/84/246142684.db2.gz NHMPCAYWBANMNU-WBVHZDCISA-N 2 1 359.474 0.403 10 0 FCAEMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000419409634 246142689 /nfs/dbraw/zinc/14/26/89/246142689.db2.gz NHMPCAYWBANMNU-WBVHZDCISA-N 2 1 359.474 0.403 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000419409634 246142695 /nfs/dbraw/zinc/14/26/95/246142695.db2.gz NHMPCAYWBANMNU-WBVHZDCISA-N 2 1 359.474 0.403 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419503103 246183804 /nfs/dbraw/zinc/18/38/04/246183804.db2.gz COOMEQBYSVFOIG-QRVBRYPASA-N 2 1 370.497 0.978 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419509806 246184938 /nfs/dbraw/zinc/18/49/38/246184938.db2.gz UVLMSRTYYRMXDB-MSOLQXFVSA-N 2 1 358.486 0.883 10 0 FCAEMP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[NH+]2CCCC2)o1 ZINC000419512532 246185184 /nfs/dbraw/zinc/18/51/84/246185184.db2.gz JZMKFOWGGHIWOY-BMFZPTHFSA-N 2 1 362.474 0.955 10 0 FCAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419509807 246186524 /nfs/dbraw/zinc/18/65/24/246186524.db2.gz UVLMSRTYYRMXDB-QZTJIDSGSA-N 2 1 358.486 0.883 10 0 FCAEMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C[N@H+]1CCO ZINC000419494415 246180414 /nfs/dbraw/zinc/18/04/14/246180414.db2.gz PJYNZMODTCBLPC-IXDOHACOSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)C[NH+]1CCO ZINC000419494415 246180421 /nfs/dbraw/zinc/18/04/21/246180421.db2.gz PJYNZMODTCBLPC-IXDOHACOSA-N 2 1 356.511 0.584 10 0 FCAEMP 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CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000481743662 250353000 /nfs/dbraw/zinc/35/30/00/250353000.db2.gz QFJVXPJTLSECLG-SJORKVTESA-N 2 1 367.490 0.772 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000074064950 208052241 /nfs/dbraw/zinc/05/22/41/208052241.db2.gz SKHXRGYCWFVTRR-UHFFFAOYSA-N 2 1 369.554 0.814 10 0 FCAEMP C[N@@H+](CCN1C(=O)CNC1=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127073 208209614 /nfs/dbraw/zinc/20/96/14/208209614.db2.gz MPWPHSBQVAJCSD-SFHVURJKSA-N 2 1 374.485 0.916 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC1=O ZINC000105319267 208196970 /nfs/dbraw/zinc/19/69/70/208196970.db2.gz MYPDXKDHAHJVGH-WBVHZDCISA-N 2 1 350.507 0.872 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000113268805 208307386 /nfs/dbraw/zinc/30/73/86/208307386.db2.gz JBUJQVZRQKZNNO-KZNAEPCWSA-N 2 1 352.523 0.628 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000113268805 208307389 /nfs/dbraw/zinc/30/73/89/208307389.db2.gz JBUJQVZRQKZNNO-KZNAEPCWSA-N 2 1 352.523 0.628 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000113268805 208307394 /nfs/dbraw/zinc/30/73/94/208307394.db2.gz JBUJQVZRQKZNNO-KZNAEPCWSA-N 2 1 352.523 0.628 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1=O ZINC000116785261 208334201 /nfs/dbraw/zinc/33/42/01/208334201.db2.gz MZKVNRORHIHQNW-BRWVUGGUSA-N 2 1 366.506 0.108 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118124644 208350320 /nfs/dbraw/zinc/35/03/20/208350320.db2.gz BGRKYDLJLOWQHG-QGZVFWFLSA-N 2 1 360.458 0.798 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000118124644 208350322 /nfs/dbraw/zinc/35/03/22/208350322.db2.gz BGRKYDLJLOWQHG-QGZVFWFLSA-N 2 1 360.458 0.798 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118124644 208350323 /nfs/dbraw/zinc/35/03/23/208350323.db2.gz 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0.480 10 0 FCAEMP O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)N1CCC[NH2+]CC1 ZINC000312938898 488895824 /nfs/dbraw/zinc/89/58/24/488895824.db2.gz FYIMFURHORYYDU-CEXWTWQISA-N 2 1 370.497 0.835 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278822849 488898030 /nfs/dbraw/zinc/89/80/30/488898030.db2.gz HQZZHMIXUKENQU-MMOPVJDHSA-N 2 1 370.497 0.978 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278822849 488898031 /nfs/dbraw/zinc/89/80/31/488898031.db2.gz HQZZHMIXUKENQU-MMOPVJDHSA-N 2 1 370.497 0.978 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278822849 488898034 /nfs/dbraw/zinc/89/80/34/488898034.db2.gz HQZZHMIXUKENQU-MMOPVJDHSA-N 2 1 370.497 0.978 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000328675725 488929614 /nfs/dbraw/zinc/92/96/14/488929614.db2.gz QZMREXQETACSTF-QAPCUYQASA-N 2 1 353.507 0.791 10 0 FCAEMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2)CC1 ZINC000364211884 488935745 /nfs/dbraw/zinc/93/57/45/488935745.db2.gz JWGSABAYKIVQOC-FXAWDEMLSA-N 2 1 356.470 0.941 10 0 FCAEMP CN1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000288064529 488939069 /nfs/dbraw/zinc/93/90/69/488939069.db2.gz ADXQBFBBJUAQSY-MSOLQXFVSA-N 2 1 356.470 0.855 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000288068704 488940159 /nfs/dbraw/zinc/94/01/59/488940159.db2.gz AMGKKKZTBLCHAN-FGTMMUONSA-N 2 1 356.470 0.855 10 0 FCAEMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000288068704 488940161 /nfs/dbraw/zinc/94/01/61/488940161.db2.gz AMGKKKZTBLCHAN-FGTMMUONSA-N 2 1 356.470 0.855 10 0 FCAEMP C[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000288068704 488940163 /nfs/dbraw/zinc/94/01/63/488940163.db2.gz AMGKKKZTBLCHAN-FGTMMUONSA-N 2 1 356.470 0.855 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCC[NH+]2CCOCC2)CC1 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CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420094517 489910394 /nfs/dbraw/zinc/91/03/94/489910394.db2.gz JEKVSWZAWSSEFZ-INIZCTEOSA-N 2 1 367.538 0.249 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420105819 489914110 /nfs/dbraw/zinc/91/41/10/489914110.db2.gz SYOJBLNGYCKSLG-SJLPKXTDSA-N 2 1 358.486 0.488 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420107547 489915008 /nfs/dbraw/zinc/91/50/08/489915008.db2.gz WCPZUYPFPZZVCD-ZBFHGGJFSA-N 2 1 364.515 0.549 10 0 FCAEMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000420137807 489926910 /nfs/dbraw/zinc/92/69/10/489926910.db2.gz WIOJQYYEJUGPPD-DOTOQJQBSA-N 2 1 374.485 0.503 10 0 FCAEMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420164516 489937075 /nfs/dbraw/zinc/93/70/75/489937075.db2.gz MBCDRYBBQDXHDS-QGZVFWFLSA-N 2 1 362.474 0.072 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000477651242 489982179 /nfs/dbraw/zinc/98/21/79/489982179.db2.gz ZJSLBKFKYITGOJ-INIZCTEOSA-N 2 1 368.522 0.309 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000477678764 489983957 /nfs/dbraw/zinc/98/39/57/489983957.db2.gz NONPBELWIBXMOT-MRXNPFEDSA-N 2 1 354.495 0.062 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005653 /nfs/dbraw/zinc/00/56/53/490005653.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 1 363.449 0.409 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000463224673 490005655 /nfs/dbraw/zinc/00/56/55/490005655.db2.gz FSYJXRRRKXTJKK-CABCVRRESA-N 2 1 363.449 0.409 10 0 FCAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000378247207 490033074 /nfs/dbraw/zinc/03/30/74/490033074.db2.gz KCNDIRWSFOIAFB-HZMVEIRTSA-N 2 1 359.536 0.842 10 0 FCAEMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000378542608 490087261 /nfs/dbraw/zinc/08/72/61/490087261.db2.gz YJXWTKKFGHFGSX-SFHVURJKSA-N 2 1 364.486 0.894 10 0 FCAEMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379674640 490125683 /nfs/dbraw/zinc/12/56/83/490125683.db2.gz UYQHDBITEJTUDL-MSOLQXFVSA-N 2 1 367.515 0.949 10 0 FCAEMP C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386657884 490131243 /nfs/dbraw/zinc/13/12/43/490131243.db2.gz UUMLRUJWAVHWCV-RYQLBKOJSA-N 2 1 367.515 0.805 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000532998303 490154486 /nfs/dbraw/zinc/15/44/86/490154486.db2.gz MYTNORSBVAXARA-GASCZTMLSA-N 2 1 364.494 0.762 10 0 FCAEMP COCC[C@@]1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000447404086 490231951 /nfs/dbraw/zinc/23/19/51/490231951.db2.gz IFUPQDLAWFLXGF-SJLPKXTDSA-N 2 1 357.495 0.245 10 0 FCAEMP CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508528429 490336157 /nfs/dbraw/zinc/33/61/57/490336157.db2.gz MNWJAFANFAXMSR-FGTMMUONSA-N 2 1 354.539 0.826 10 0 FCAEMP CC(C)[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508528429 490336160 /nfs/dbraw/zinc/33/61/60/490336160.db2.gz MNWJAFANFAXMSR-FGTMMUONSA-N 2 1 354.539 0.826 10 0 FCAEMP C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000408473988 490346026 /nfs/dbraw/zinc/34/60/26/490346026.db2.gz XBPTZIIBTQGPHK-DLBZAZTESA-N 2 1 353.507 0.648 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000498925801 490365254 /nfs/dbraw/zinc/36/52/54/490365254.db2.gz ACQOWRWYWWUZTR-FGTMMUONSA-N 2 1 354.539 0.874 10 0 FCAEMP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000498925801 490365261 /nfs/dbraw/zinc/36/52/61/490365261.db2.gz ACQOWRWYWWUZTR-FGTMMUONSA-N 2 1 354.539 0.874 10 0 FCAEMP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000498925801 490365270 /nfs/dbraw/zinc/36/52/70/490365270.db2.gz ACQOWRWYWWUZTR-FGTMMUONSA-N 2 1 354.539 0.874 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000534523909 490376349 /nfs/dbraw/zinc/37/63/49/490376349.db2.gz AGPAQXRZOZAINW-MRXNPFEDSA-N 2 1 362.478 0.157 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000535428723 490489959 /nfs/dbraw/zinc/48/99/59/490489959.db2.gz APUFQBJHEDWAIP-HYVNUMGLSA-N 2 1 367.538 0.861 10 0 FCAEMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423058306 490532275 /nfs/dbraw/zinc/53/22/75/490532275.db2.gz JEJHZEOGNWVGSB-ZWKOTPCHSA-N 2 1 358.486 0.787 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423062269 490533361 /nfs/dbraw/zinc/53/33/61/490533361.db2.gz STUDALUIJMEQAO-CGTJXYLNSA-N 2 1 358.486 0.915 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000549707435 490594533 /nfs/dbraw/zinc/59/45/33/490594533.db2.gz JIXJMWQEVTWCBN-CQSZACIVSA-N 2 1 364.494 0.736 10 0 FCAEMP 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/nfs/dbraw/zinc/97/40/30/490974030.db2.gz RDHVEFAIOVBKNJ-UHFFFAOYSA-N 2 1 361.490 0.821 10 0 FCAEMP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614068802 492013385 /nfs/dbraw/zinc/01/33/85/492013385.db2.gz PKWLHMDYWMYGKD-WOJBJXKFSA-N 2 1 361.486 0.539 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000569585123 491171238 /nfs/dbraw/zinc/17/12/38/491171238.db2.gz XUTXSPCFHKUJIP-HZPDHXFCSA-N 2 1 356.511 0.450 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000660293941 493339796 /nfs/dbraw/zinc/33/97/96/493339796.db2.gz GPMPPHDWZRQQPF-FUHWJXTLSA-N 2 1 373.501 0.919 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668361627 493340454 /nfs/dbraw/zinc/34/04/54/493340454.db2.gz GWLRRRNHOCAPAF-KRWDZBQOSA-N 2 1 366.506 0.033 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000668360060 493340539 /nfs/dbraw/zinc/34/05/39/493340539.db2.gz OOXINBWAFOXMFT-MRXNPFEDSA-N 2 1 366.506 0.035 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000668369246 493341854 /nfs/dbraw/zinc/34/18/54/493341854.db2.gz ROJMGADTIPRBQQ-ZWKOTPCHSA-N 2 1 360.502 0.828 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566679382 491460222 /nfs/dbraw/zinc/46/02/22/491460222.db2.gz UCWRTBAOEXGHDM-AEFFLSMTSA-N 2 1 374.485 0.298 10 0 FCAEMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(=O)N(C)[C@H](C)C3)CC2)CC1 ZINC000566866047 491472287 /nfs/dbraw/zinc/47/22/87/491472287.db2.gz ODZRJUZSCNODMR-OAHLLOKOSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000660349159 493345942 /nfs/dbraw/zinc/34/59/42/493345942.db2.gz UTCFIZLPDDUELI-RDJZCZTQSA-N 2 1 359.474 0.671 10 0 FCAEMP CN(C(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000574796726 491520443 /nfs/dbraw/zinc/52/04/43/491520443.db2.gz DPOWUHUOUVFUER-JKSUJKDBSA-N 2 1 350.507 0.918 10 0 FCAEMP 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491541659 /nfs/dbraw/zinc/54/16/59/491541659.db2.gz VABANGLEKGIRQU-UHFFFAOYSA-N 2 1 368.522 0.405 10 0 FCAEMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000668421896 493351244 /nfs/dbraw/zinc/35/12/44/493351244.db2.gz KBQGLOKYZTUUFZ-HNNXBMFYSA-N 2 1 357.458 0.982 10 0 FCAEMP CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000668421896 493351246 /nfs/dbraw/zinc/35/12/46/493351246.db2.gz KBQGLOKYZTUUFZ-HNNXBMFYSA-N 2 1 357.458 0.982 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000683431633 493352109 /nfs/dbraw/zinc/35/21/09/493352109.db2.gz VLXBMOAVRPVJFL-INIZCTEOSA-N 2 1 362.478 0.516 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000568608542 491591433 /nfs/dbraw/zinc/59/14/33/491591433.db2.gz FVVRJFCGLLJRLW-ZACQAIPSSA-N 2 1 365.522 0.855 10 0 FCAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000568608540 491591547 /nfs/dbraw/zinc/59/15/47/491591547.db2.gz FVVRJFCGLLJRLW-BRWVUGGUSA-N 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ZINC000576495732 491619862 /nfs/dbraw/zinc/61/98/62/491619862.db2.gz VZHFKXHQVIOCFB-QGZVFWFLSA-N 2 1 366.506 0.204 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CN3CCOCC3)c2)CCO1 ZINC000568990698 491624682 /nfs/dbraw/zinc/62/46/82/491624682.db2.gz BHMUDURMTOJUGG-XLIONFOSSA-N 2 1 363.502 0.690 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CN3CCOCC3)c2)CCO1 ZINC000568990698 491624685 /nfs/dbraw/zinc/62/46/85/491624685.db2.gz BHMUDURMTOJUGG-XLIONFOSSA-N 2 1 363.502 0.690 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000561880953 491637778 /nfs/dbraw/zinc/63/77/78/491637778.db2.gz DCGZBWDOKCHHMW-HOCLYGCPSA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000576728805 491639884 /nfs/dbraw/zinc/63/98/84/491639884.db2.gz CHVWOURCKZOFMX-QAPCUYQASA-N 2 1 373.501 0.871 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000562025261 491648904 /nfs/dbraw/zinc/64/89/04/491648904.db2.gz XDWDLZIGJYNKME-OAHLLOKOSA-N 2 1 356.511 0.138 10 0 FCAEMP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668464641 493358722 /nfs/dbraw/zinc/35/87/22/493358722.db2.gz HWOUWFHHQWTUHR-MRXNPFEDSA-N 2 1 367.538 0.118 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668464641 493358725 /nfs/dbraw/zinc/35/87/25/493358725.db2.gz HWOUWFHHQWTUHR-MRXNPFEDSA-N 2 1 367.538 0.118 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668464641 493358727 /nfs/dbraw/zinc/35/87/27/493358727.db2.gz HWOUWFHHQWTUHR-MRXNPFEDSA-N 2 1 367.538 0.118 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000660515986 493359132 /nfs/dbraw/zinc/35/91/32/493359132.db2.gz OAMOSJYMYSHVDT-UHFFFAOYSA-N 2 1 360.506 0.797 10 0 FCAEMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000578639736 491681486 /nfs/dbraw/zinc/68/14/86/491681486.db2.gz FLILIUHZCQLMIQ-IBGZPJMESA-N 2 1 366.506 0.158 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579838220 491706453 /nfs/dbraw/zinc/70/64/53/491706453.db2.gz MYGCMNUEQBVEOO-SQGPQFPESA-N 2 1 362.518 0.921 10 0 FCAEMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000580189184 491720605 /nfs/dbraw/zinc/72/06/05/491720605.db2.gz IFOVXKZDTKFLKH-UHFFFAOYSA-N 2 1 360.458 0.069 10 0 FCAEMP CC[NH+](CC)CCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000582151169 491800309 /nfs/dbraw/zinc/80/03/09/491800309.db2.gz LDSVHLFHOJFWAS-KRWDZBQOSA-N 2 1 360.568 0.760 10 0 FCAEMP CCOC[C@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@@H](O)COCC)C2)C1 ZINC000582753604 491825489 /nfs/dbraw/zinc/82/54/89/491825489.db2.gz KEVANTGTLBWFSG-PWCSWUJKSA-N 2 1 358.523 0.959 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)[C@@H](C)C1 ZINC000583570955 491847858 /nfs/dbraw/zinc/84/78/58/491847858.db2.gz SAYQZJUVEJZUNW-DOTOQJQBSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000583935017 491855032 /nfs/dbraw/zinc/85/50/32/491855032.db2.gz JITBYCYVVULXCV-HUUCEWRRSA-N 2 1 362.474 0.377 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000600725269 491879172 /nfs/dbraw/zinc/87/91/72/491879172.db2.gz FCDQHAVEHFUVJA-ZDUSSCGKSA-N 2 1 355.460 0.808 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000600725269 491879174 /nfs/dbraw/zinc/87/91/74/491879174.db2.gz FCDQHAVEHFUVJA-ZDUSSCGKSA-N 2 1 355.460 0.808 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612041216 491894192 /nfs/dbraw/zinc/89/41/92/491894192.db2.gz RZUIFHBLGOEXKR-CAOSSQGBSA-N 2 1 368.522 0.589 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612041216 491894193 /nfs/dbraw/zinc/89/41/93/491894193.db2.gz RZUIFHBLGOEXKR-CAOSSQGBSA-N 2 1 368.522 0.589 10 0 FCAEMP COC(=O)CCN1CCC[C@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391674 491927598 /nfs/dbraw/zinc/92/75/98/491927598.db2.gz 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FCAEMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000642247081 492344542 /nfs/dbraw/zinc/34/45/42/492344542.db2.gz RSCQDRDZSBCORU-QGZVFWFLSA-N 2 1 359.474 0.403 10 0 FCAEMP O[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC1(O)CCOCC1 ZINC000634710682 492361748 /nfs/dbraw/zinc/36/17/48/492361748.db2.gz CFFOOUNANWHNCN-RTBURBONSA-N 2 1 364.486 0.635 10 0 FCAEMP Cc1cc(N2CCC([NH2+]C[C@H](O)CC3(O)CCOCC3)CC2)nc(C)[nH+]1 ZINC000634707238 492362101 /nfs/dbraw/zinc/36/21/01/492362101.db2.gz BZJMLAIKYDFVDP-QGZVFWFLSA-N 2 1 364.490 0.944 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634746006 492366001 /nfs/dbraw/zinc/36/60/01/492366001.db2.gz BJSHXWJJWUFQJX-SMOSDQRPSA-N 2 1 362.518 0.777 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC(C)(C)CC[C@H]2CO)C1 ZINC000621377154 492380292 /nfs/dbraw/zinc/38/02/92/492380292.db2.gz QTOIOCQVMGYSSJ-DLBZAZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC(C)(C)CC[C@H]2CO)C1 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PZOVXUYXNQMLEH-UHFFFAOYSA-N 2 1 374.485 0.710 10 0 FCAEMP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)ncn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211352 492564824 /nfs/dbraw/zinc/56/48/24/492564824.db2.gz SBJMNPPJIHOKCC-SOUVJXGZSA-N 2 1 362.478 0.665 10 0 FCAEMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCCCC1 ZINC000656284988 492569404 /nfs/dbraw/zinc/56/94/04/492569404.db2.gz CTBGQNNGQLRTRQ-JKSUJKDBSA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@@H+](CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000656296701 492574723 /nfs/dbraw/zinc/57/47/23/492574723.db2.gz XMFBIFRVSIVVEJ-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000656296701 492574724 /nfs/dbraw/zinc/57/47/24/492574724.db2.gz XMFBIFRVSIVVEJ-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000656296701 492574725 /nfs/dbraw/zinc/57/47/25/492574725.db2.gz XMFBIFRVSIVVEJ-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2COC)cc1 ZINC000649743422 492577061 /nfs/dbraw/zinc/57/70/61/492577061.db2.gz ROESNYSMDAYPRL-VNTMZGSJSA-N 2 1 364.486 0.850 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC([C@H](C)CO)CC2)C1 ZINC000649804800 492583896 /nfs/dbraw/zinc/58/38/96/492583896.db2.gz INQRQQZQPVWDMG-SJLPKXTDSA-N 2 1 355.523 0.800 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cn2)C1 ZINC000643974691 492618300 /nfs/dbraw/zinc/61/83/00/492618300.db2.gz KEMQMIJBKKXFFQ-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)nc2)C1 ZINC000643974691 492618305 /nfs/dbraw/zinc/61/83/05/492618305.db2.gz KEMQMIJBKKXFFQ-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)nc2)C1 ZINC000643974691 492618310 /nfs/dbraw/zinc/61/83/10/492618310.db2.gz KEMQMIJBKKXFFQ-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000629567926 492646948 /nfs/dbraw/zinc/64/69/48/492646948.db2.gz HAPKKOMFEMLFGC-INIZCTEOSA-N 2 1 364.490 0.597 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000629568440 492647293 /nfs/dbraw/zinc/64/72/93/492647293.db2.gz KGNPNDBAFVLZDK-JKSUJKDBSA-N 2 1 365.474 0.841 10 0 FCAEMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000629571501 492649686 /nfs/dbraw/zinc/64/96/86/492649686.db2.gz VLYMCNSDXBXNKE-UHFFFAOYSA-N 2 1 354.520 0.560 10 0 FCAEMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000629571501 492649688 /nfs/dbraw/zinc/64/96/88/492649688.db2.gz VLYMCNSDXBXNKE-UHFFFAOYSA-N 2 1 354.520 0.560 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629584985 492657795 /nfs/dbraw/zinc/65/77/95/492657795.db2.gz ILHGDLAOJPGXRN-YTQUADARSA-N 2 1 352.523 0.391 10 0 FCAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650730201 492664859 /nfs/dbraw/zinc/66/48/59/492664859.db2.gz PORHSIMEEBGKLK-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629801868 492678934 /nfs/dbraw/zinc/67/89/34/492678934.db2.gz CPDBKCQBNFTZBV-NVXWUHKLSA-N 2 1 366.506 0.156 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629801870 492679206 /nfs/dbraw/zinc/67/92/06/492679206.db2.gz CPDBKCQBNFTZBV-WBVHZDCISA-N 2 1 366.506 0.156 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000650878935 492679595 /nfs/dbraw/zinc/67/95/95/492679595.db2.gz FEUXNASLVZZEBD-SFHVURJKSA-N 2 1 369.554 0.670 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000650878935 492679598 /nfs/dbraw/zinc/67/95/98/492679598.db2.gz FEUXNASLVZZEBD-SFHVURJKSA-N 2 1 369.554 0.670 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000650878935 492679601 /nfs/dbraw/zinc/67/96/01/492679601.db2.gz FEUXNASLVZZEBD-SFHVURJKSA-N 2 1 369.554 0.670 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000629805351 492681343 /nfs/dbraw/zinc/68/13/43/492681343.db2.gz YIWWYDXCFQZRJG-JKMAKKBCSA-N 2 1 374.529 0.920 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650980789 492690811 /nfs/dbraw/zinc/69/08/11/492690811.db2.gz XEFMNDOYOCRYAZ-KRWDZBQOSA-N 2 1 367.538 0.770 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1=O ZINC000651062751 492702257 /nfs/dbraw/zinc/70/22/57/492702257.db2.gz GMAIUZLFNGPHBI-INIZCTEOSA-N 2 1 351.495 0.419 10 0 FCAEMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000644640129 492794117 /nfs/dbraw/zinc/79/41/17/492794117.db2.gz HWVAJICYRFZEPK-KZNAEPCWSA-N 2 1 369.531 0.787 10 0 FCAEMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000644640129 492794122 /nfs/dbraw/zinc/79/41/22/492794122.db2.gz HWVAJICYRFZEPK-KZNAEPCWSA-N 2 1 369.531 0.787 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000625525880 492811260 /nfs/dbraw/zinc/81/12/60/492811260.db2.gz WMZRZIFDKSNABD-DJIMGWMZSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625525880 492811262 /nfs/dbraw/zinc/81/12/62/492811262.db2.gz WMZRZIFDKSNABD-DJIMGWMZSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625525880 492811266 /nfs/dbraw/zinc/81/12/66/492811266.db2.gz WMZRZIFDKSNABD-DJIMGWMZSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625525886 492811565 /nfs/dbraw/zinc/81/15/65/492811565.db2.gz WMZRZIFDKSNABD-PVAVHDDUSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625525886 492811569 /nfs/dbraw/zinc/81/15/69/492811569.db2.gz WMZRZIFDKSNABD-PVAVHDDUSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625525886 492811573 /nfs/dbraw/zinc/81/15/73/492811573.db2.gz WMZRZIFDKSNABD-PVAVHDDUSA-N 2 1 350.507 0.918 10 0 FCAEMP O=C1N[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828090 492858757 /nfs/dbraw/zinc/85/87/57/492858757.db2.gz FAKHYYCUQJUGRK-YESZJQIVSA-N 2 1 361.490 0.360 10 0 FCAEMP O=C1N[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828090 492858759 /nfs/dbraw/zinc/85/87/59/492858759.db2.gz FAKHYYCUQJUGRK-YESZJQIVSA-N 2 1 361.490 0.360 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000631839916 492860276 /nfs/dbraw/zinc/86/02/76/492860276.db2.gz MHUFRKNFIYJCCL-NVXWUHKLSA-N 2 1 358.486 0.934 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000631839916 492860279 /nfs/dbraw/zinc/86/02/79/492860279.db2.gz MHUFRKNFIYJCCL-NVXWUHKLSA-N 2 1 358.486 0.934 10 0 FCAEMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000645173337 492874947 /nfs/dbraw/zinc/87/49/47/492874947.db2.gz BBDBMOKYJXBPFP-INIZCTEOSA-N 2 1 361.490 0.880 10 0 FCAEMP CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631911922 492878383 /nfs/dbraw/zinc/87/83/83/492878383.db2.gz AUKVHDYURQBBED-QGZVFWFLSA-N 2 1 355.504 0.935 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCOCCC[NH3+])c1 ZINC000625852626 492894819 /nfs/dbraw/zinc/89/48/19/492894819.db2.gz OXAFPDLZAXIHCQ-MRXNPFEDSA-N 2 1 363.462 0.623 10 0 FCAEMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCOCCC[NH3+])c1 ZINC000625852626 492894823 /nfs/dbraw/zinc/89/48/23/492894823.db2.gz OXAFPDLZAXIHCQ-MRXNPFEDSA-N 2 1 363.462 0.623 10 0 FCAEMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658461021 492903771 /nfs/dbraw/zinc/90/37/71/492903771.db2.gz TYGCJDPZXVEUKA-GOSISDBHSA-N 2 1 358.486 0.739 10 0 FCAEMP CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632104585 492930480 /nfs/dbraw/zinc/93/04/80/492930480.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 1 367.515 0.853 10 0 FCAEMP CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632104585 492930484 /nfs/dbraw/zinc/93/04/84/492930484.db2.gz JUFGBTRKJYOBNO-ROUUACIJSA-N 2 1 367.515 0.853 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645695065 492961656 /nfs/dbraw/zinc/96/16/56/492961656.db2.gz CNEJRIOMWOJZCM-SFHVURJKSA-N 2 1 354.414 0.760 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658612387 492980032 /nfs/dbraw/zinc/98/00/32/492980032.db2.gz HEWCKDNFMJAMGD-IKGGRYGDSA-N 2 1 368.522 0.354 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCCC[C@H]2CC)C[C@H]1C[NH3+] ZINC000652674836 492985877 /nfs/dbraw/zinc/98/58/77/492985877.db2.gz HEJXODQXVIWQAM-BZUAXINKSA-N 2 1 354.495 0.189 10 0 FCAEMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978177 492995171 /nfs/dbraw/zinc/99/51/71/492995171.db2.gz WCIRWUNJDPNZBT-UJAMICLKSA-N 2 1 364.534 0.804 10 0 FCAEMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978177 492995175 /nfs/dbraw/zinc/99/51/75/492995175.db2.gz WCIRWUNJDPNZBT-UJAMICLKSA-N 2 1 364.534 0.804 10 0 FCAEMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009387 493000063 /nfs/dbraw/zinc/00/00/63/493000063.db2.gz GFSFQSDLJPTQMS-KZNAEPCWSA-N 2 1 352.523 0.807 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646023067 493002617 /nfs/dbraw/zinc/00/26/17/493002617.db2.gz KTUAUYUIPIIZJX-QUCCMNQESA-N 2 1 361.486 0.803 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646023067 493002620 /nfs/dbraw/zinc/00/26/20/493002620.db2.gz KTUAUYUIPIIZJX-QUCCMNQESA-N 2 1 361.486 0.803 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1=O ZINC000652735984 493012148 /nfs/dbraw/zinc/01/21/48/493012148.db2.gz ZGNKQOSRKBWSDV-GOSISDBHSA-N 2 1 373.501 0.526 10 0 FCAEMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)CCO2 ZINC000646104561 493013392 /nfs/dbraw/zinc/01/33/92/493013392.db2.gz QSOUIQSGOUISMA-OAHLLOKOSA-N 2 1 364.442 0.952 10 0 FCAEMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)CCO2 ZINC000646104561 493013397 /nfs/dbraw/zinc/01/33/97/493013397.db2.gz QSOUIQSGOUISMA-OAHLLOKOSA-N 2 1 364.442 0.952 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626809095 493023380 /nfs/dbraw/zinc/02/33/80/493023380.db2.gz BYDYGUMUVMMNEP-MLGOLLRUSA-N 2 1 358.442 0.706 10 0 FCAEMP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)n1C ZINC000626818608 493025597 /nfs/dbraw/zinc/02/55/97/493025597.db2.gz KLEYMHLDJABZRV-UHFFFAOYSA-N 2 1 372.429 0.223 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000646242818 493032795 /nfs/dbraw/zinc/03/27/95/493032795.db2.gz BXCVHCKEEQDEBV-UHFFFAOYSA-N 2 1 361.490 0.649 10 0 FCAEMP CCCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658773134 493047764 /nfs/dbraw/zinc/04/77/64/493047764.db2.gz XAFLNDDPVANLDM-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP C[C@@H](c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1)[NH+]1CCOCC1 ZINC000626910052 493060015 /nfs/dbraw/zinc/06/00/15/493060015.db2.gz XLYHUEVBTHXJGN-GRDNDAEWSA-N 2 1 360.458 0.885 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626924498 493063295 /nfs/dbraw/zinc/06/32/95/493063295.db2.gz UXUPMZAJOKRNFN-UHFFFAOYSA-N 2 1 350.463 0.683 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[NH2+]1 ZINC000626930185 493065669 /nfs/dbraw/zinc/06/56/69/493065669.db2.gz MEHNJJUMKSLICI-HZPDHXFCSA-N 2 1 361.494 0.428 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626938517 493067360 /nfs/dbraw/zinc/06/73/60/493067360.db2.gz GONOSTRWSYZLMO-QGZVFWFLSA-N 2 1 356.511 0.755 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000626942786 493068235 /nfs/dbraw/zinc/06/82/35/493068235.db2.gz QZSNCCMHBONVPJ-UHFFFAOYSA-N 2 1 364.490 0.896 10 0 FCAEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOCCC[NH3+] ZINC000626981911 493074505 /nfs/dbraw/zinc/07/45/05/493074505.db2.gz YRMYNUUVLGQFDY-INIZCTEOSA-N 2 1 364.494 0.257 10 0 FCAEMP CN1CC[N@@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](c2ccccc2)C1 ZINC000653125271 493075968 /nfs/dbraw/zinc/07/59/68/493075968.db2.gz VARBOEQAHJZERC-ZJOUEHCJSA-N 2 1 372.513 0.717 10 0 FCAEMP C[N@@H+]1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](c2ccccc2)C1 ZINC000653125271 493075972 /nfs/dbraw/zinc/07/59/72/493075972.db2.gz VARBOEQAHJZERC-ZJOUEHCJSA-N 2 1 372.513 0.717 10 0 FCAEMP C[N@H+]1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](c2ccccc2)C1 ZINC000653125271 493075974 /nfs/dbraw/zinc/07/59/74/493075974.db2.gz VARBOEQAHJZERC-ZJOUEHCJSA-N 2 1 372.513 0.717 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658830159 493076875 /nfs/dbraw/zinc/07/68/75/493076875.db2.gz QOWSVGXTSASEIF-KRWDZBQOSA-N 2 1 373.501 0.981 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658830159 493076877 /nfs/dbraw/zinc/07/68/77/493076877.db2.gz QOWSVGXTSASEIF-KRWDZBQOSA-N 2 1 373.501 0.981 10 0 FCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627154424 493097328 /nfs/dbraw/zinc/09/73/28/493097328.db2.gz XRMLVNIJRYALRV-OWCLPIDISA-N 2 1 354.495 0.778 10 0 FCAEMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000627154424 493097330 /nfs/dbraw/zinc/09/73/30/493097330.db2.gz XRMLVNIJRYALRV-OWCLPIDISA-N 2 1 354.495 0.778 10 0 FCAEMP CC(C)N1CC[NH+](C2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627216620 493108782 /nfs/dbraw/zinc/10/87/82/493108782.db2.gz VDEUETYKMJFJEQ-UHFFFAOYSA-N 2 1 355.527 0.552 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627214570 493108915 /nfs/dbraw/zinc/10/89/15/493108915.db2.gz RUHPANYWRLHQIU-GOSISDBHSA-N 2 1 350.463 0.288 10 0 FCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000627226865 493110854 /nfs/dbraw/zinc/11/08/54/493110854.db2.gz SXLRMVJYKSYUTM-OWCLPIDISA-N 2 1 351.495 0.370 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000633077830 493116440 /nfs/dbraw/zinc/11/64/40/493116440.db2.gz ASCCTWSKTPPZSZ-HUUCEWRRSA-N 2 1 364.515 0.488 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)c1 ZINC000633080693 493117571 /nfs/dbraw/zinc/11/75/71/493117571.db2.gz GELYIPNILZBSBD-MRXNPFEDSA-N 2 1 359.474 0.769 10 0 FCAEMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633099107 493124339 /nfs/dbraw/zinc/12/43/39/493124339.db2.gz IJRINNHHMORNNT-GJZGRUSLSA-N 2 1 354.495 0.020 10 0 FCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633099107 493124343 /nfs/dbraw/zinc/12/43/43/493124343.db2.gz IJRINNHHMORNNT-GJZGRUSLSA-N 2 1 354.495 0.020 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@H]1C[NH3+] ZINC000633106449 493129459 /nfs/dbraw/zinc/12/94/59/493129459.db2.gz JWOADENQPQWEKL-QXCFHYIPSA-N 2 1 370.497 0.773 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]1 ZINC000627290393 493136159 /nfs/dbraw/zinc/13/61/59/493136159.db2.gz OQLZPAIUNUDUDZ-JKSUJKDBSA-N 2 1 366.506 0.394 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000627293467 493137523 /nfs/dbraw/zinc/13/75/23/493137523.db2.gz UPPSQRROXBOODR-DZFGPLHGSA-N 2 1 370.497 0.835 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000627293468 493137575 /nfs/dbraw/zinc/13/75/75/493137575.db2.gz UPPSQRROXBOODR-UIFIKXQLSA-N 2 1 370.497 0.835 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@H]3C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000633181298 493138695 /nfs/dbraw/zinc/13/86/95/493138695.db2.gz OBBAPIGXYMWUFJ-CKYTUPMTSA-N 2 1 360.502 0.338 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000633181298 493138698 /nfs/dbraw/zinc/13/86/98/493138698.db2.gz OBBAPIGXYMWUFJ-CKYTUPMTSA-N 2 1 360.502 0.338 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC[C@@H]2C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000633181298 493138702 /nfs/dbraw/zinc/13/87/02/493138702.db2.gz OBBAPIGXYMWUFJ-CKYTUPMTSA-N 2 1 360.502 0.338 10 0 FCAEMP C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297316 493139337 /nfs/dbraw/zinc/13/93/37/493139337.db2.gz HJFVQGIZHYEHKB-HUUCEWRRSA-N 2 1 354.495 0.237 10 0 FCAEMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627296986 493139496 /nfs/dbraw/zinc/13/94/96/493139496.db2.gz YYJLEEAYOWWZML-OLMNPRSZSA-N 2 1 374.485 0.126 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297364 493140469 /nfs/dbraw/zinc/14/04/69/493140469.db2.gz IKCOWWDBAJJMQR-CVEARBPZSA-N 2 1 368.522 0.450 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297366 493140577 /nfs/dbraw/zinc/14/05/77/493140577.db2.gz IKCOWWDBAJJMQR-HZPDHXFCSA-N 2 1 368.522 0.450 10 0 FCAEMP C[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627309159 493144742 /nfs/dbraw/zinc/14/47/42/493144742.db2.gz JLFDHUUSTVSABL-UHFFFAOYSA-N 2 1 362.474 0.249 10 0 FCAEMP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)[C@H](C)C1 ZINC000659083406 493144801 /nfs/dbraw/zinc/14/48/01/493144801.db2.gz MHROCIMQDQKBCG-PBHICJAKSA-N 2 1 360.458 0.839 10 0 FCAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000627311404 493145480 /nfs/dbraw/zinc/14/54/80/493145480.db2.gz WEMXDSCYFISFFC-UHFFFAOYSA-N 2 1 362.474 0.379 10 0 FCAEMP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311705 493145506 /nfs/dbraw/zinc/14/55/06/493145506.db2.gz FSFNNQKLTIQJPQ-GASCZTMLSA-N 2 1 356.511 0.211 10 0 FCAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311914 493145645 /nfs/dbraw/zinc/14/56/45/493145645.db2.gz KOEZZLDZWLDZOK-RDJZCZTQSA-N 2 1 362.474 0.420 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000659099364 493151593 /nfs/dbraw/zinc/15/15/93/493151593.db2.gz ARDDDCKKVVJQSA-UHFFFAOYSA-N 2 1 372.469 0.450 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000627339808 493162560 /nfs/dbraw/zinc/16/25/60/493162560.db2.gz RCEUPLAGDUVGNX-UMVBOHGHSA-N 2 1 364.515 0.868 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000627339808 493162564 /nfs/dbraw/zinc/16/25/64/493162564.db2.gz RCEUPLAGDUVGNX-UMVBOHGHSA-N 2 1 364.515 0.868 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000627357353 493173993 /nfs/dbraw/zinc/17/39/93/493173993.db2.gz DHEBNMMKIWWXOE-UHFFFAOYSA-N 2 1 374.485 0.175 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627357539 493174044 /nfs/dbraw/zinc/17/40/44/493174044.db2.gz IUOOBKXCRSBKEX-GASCZTMLSA-N 2 1 354.495 0.095 10 0 FCAEMP 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CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CCC[N@@H+](C)C1)C2 ZINC000672454619 493178771 /nfs/dbraw/zinc/17/87/71/493178771.db2.gz QDNNPOUFGJWDCR-HNSVSWJLSA-N 2 1 351.495 0.463 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000659450915 493182226 /nfs/dbraw/zinc/18/22/26/493182226.db2.gz IAUDKCZENUGCHV-CQSZACIVSA-N 2 1 353.511 0.759 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627376316 493187122 /nfs/dbraw/zinc/18/71/22/493187122.db2.gz YBSJQJFXPLFFPO-XJKSGUPXSA-N 2 1 359.474 0.863 10 0 FCAEMP [NH3+]CCn1cc(C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)nn1 ZINC000659374674 493199766 /nfs/dbraw/zinc/19/97/66/493199766.db2.gz RWKCZEKGIYLBDU-UHFFFAOYSA-N 2 1 369.473 0.321 10 0 FCAEMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000659607861 493220245 /nfs/dbraw/zinc/22/02/45/493220245.db2.gz GLKQZJGQJBXIKT-ROUUACIJSA-N 2 1 359.474 0.991 10 0 FCAEMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000659677395 493246719 /nfs/dbraw/zinc/24/67/19/493246719.db2.gz PDTPCCKALWWRCP-MORSLUCNSA-N 2 1 374.485 0.813 10 0 FCAEMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000659677395 493246722 /nfs/dbraw/zinc/24/67/22/493246722.db2.gz PDTPCCKALWWRCP-MORSLUCNSA-N 2 1 374.485 0.813 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000659678722 493247289 /nfs/dbraw/zinc/24/72/89/493247289.db2.gz OZEYDWZQINBOHA-FVQBIDKESA-N 2 1 350.438 0.521 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659683260 493249827 /nfs/dbraw/zinc/24/98/27/493249827.db2.gz WVYYJFKGXGWICK-UYFTZEKXSA-N 2 1 366.506 0.108 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659682549 493250068 /nfs/dbraw/zinc/25/00/68/493250068.db2.gz DBQKQLWMTALDFS-QLFBSQMISA-N 2 1 356.511 0.480 10 0 FCAEMP 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FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867808764 672370250 /nfs/dbraw/zinc/37/02/50/672370250.db2.gz OOUOJXYIKXXYMM-JKSUJKDBSA-N 2 1 369.535 0.776 10 0 FCAEMP CCN1CC[NH+](CCC(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000869766878 672449308 /nfs/dbraw/zinc/44/93/08/672449308.db2.gz ZWELXVDEOPVLNB-UHFFFAOYSA-N 2 1 354.539 0.831 10 0 FCAEMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000869780581 672450935 /nfs/dbraw/zinc/45/09/35/672450935.db2.gz LCOLMTOTXVEHKI-INIZCTEOSA-N 2 1 353.507 0.983 10 0 FCAEMP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870019248 672461744 /nfs/dbraw/zinc/46/17/44/672461744.db2.gz APDLYMWIJXXJDI-VXGBXAGGSA-N 2 1 366.428 0.641 10 0 FCAEMP [NH3+]C[C@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000872151926 672595724 /nfs/dbraw/zinc/59/57/24/672595724.db2.gz NNGVVXRVVRMSDA-JGVFFNPUSA-N 2 1 364.290 0.834 10 0 FCAEMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000872151926 672595727 /nfs/dbraw/zinc/59/57/27/672595727.db2.gz NNGVVXRVVRMSDA-JGVFFNPUSA-N 2 1 364.290 0.834 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872187623 672597334 /nfs/dbraw/zinc/59/73/34/672597334.db2.gz XPCFKSXIFVENOE-RYUDHWBXSA-N 2 1 350.385 0.136 10 0 FCAEMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C(F)(F)F ZINC000872188681 672598026 /nfs/dbraw/zinc/59/80/26/672598026.db2.gz YWSGOCGPGIQTQD-OLZOCXBDSA-N 2 1 362.396 0.136 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872192799 672601131 /nfs/dbraw/zinc/60/11/31/672601131.db2.gz KYORQNCYZYUSHC-FRRDWIJNSA-N 2 1 364.412 0.523 10 0 FCAEMP CCO[C@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C[NH+](C)C ZINC000926838925 673844329 /nfs/dbraw/zinc/84/43/29/673844329.db2.gz WNRUIZASAULMJX-MRXNPFEDSA-N 2 1 358.527 0.953 10 0 FCAEMP CCO[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C[NH+](C)C ZINC000926838924 673844435 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/nfs/dbraw/zinc/94/31/33/673943133.db2.gz CTKQGXPPGJLYLY-CABCVRRESA-N 2 1 354.520 0.283 10 0 FCAEMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000929428597 673955995 /nfs/dbraw/zinc/95/59/95/673955995.db2.gz SROQHEDUAUHPBF-UHFFFAOYSA-N 2 1 354.495 0.063 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929508612 673960284 /nfs/dbraw/zinc/96/02/84/673960284.db2.gz DELFAKOHZRKWEB-BPUTZDHNSA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929508612 673960286 /nfs/dbraw/zinc/96/02/86/673960286.db2.gz DELFAKOHZRKWEB-BPUTZDHNSA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929508612 673960289 /nfs/dbraw/zinc/96/02/89/673960289.db2.gz DELFAKOHZRKWEB-BPUTZDHNSA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929508612 673960291 /nfs/dbraw/zinc/96/02/91/673960291.db2.gz DELFAKOHZRKWEB-BPUTZDHNSA-N 2 1 366.531 0.283 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929693884 673972259 /nfs/dbraw/zinc/97/22/59/673972259.db2.gz FZNNNRCNBJICSS-OWCLPIDISA-N 2 1 356.511 0.306 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929697186 673972528 /nfs/dbraw/zinc/97/25/28/673972528.db2.gz VJQRVQLQEXPCGC-PASDCYSWSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000929697186 673972529 /nfs/dbraw/zinc/97/25/29/673972529.db2.gz VJQRVQLQEXPCGC-PASDCYSWSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000929697186 673972530 /nfs/dbraw/zinc/97/25/30/673972530.db2.gz VJQRVQLQEXPCGC-PASDCYSWSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12)[N@@H+](C)C1CC1 ZINC000929961696 673988281 /nfs/dbraw/zinc/98/82/81/673988281.db2.gz 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ZINC000126833192 1179164453 /nfs/dbraw/zinc/16/44/53/1179164453.db2.gz CUXWJANQOBMAOC-INIZCTEOSA-N 2 1 364.494 0.764 10 0 FCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126832959 1179164486 /nfs/dbraw/zinc/16/44/86/1179164486.db2.gz CUXWJANQOBMAOC-MRXNPFEDSA-N 2 1 364.494 0.764 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001719685456 1179378706 /nfs/dbraw/zinc/37/87/06/1179378706.db2.gz LZGJCJHDTMGWSY-BEFAXECRSA-N 2 1 350.507 0.729 10 0 FCAEMP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001719687614 1179389647 /nfs/dbraw/zinc/38/96/47/1179389647.db2.gz CVWYJLNNAKBFMH-MDZRGWNJSA-N 2 1 352.523 0.974 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cn1 ZINC000126997990 1179405480 /nfs/dbraw/zinc/40/54/80/1179405480.db2.gz KWMPXWBMHURYRH-UHFFFAOYSA-N 2 1 364.494 0.764 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001719689794 1179406272 /nfs/dbraw/zinc/40/62/72/1179406272.db2.gz UOYFWKZWFIVIOL-FUHIMQAGSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000127570397 1179941362 /nfs/dbraw/zinc/94/13/62/1179941362.db2.gz OOAWHWMCXREFBG-OAHLLOKOSA-N 2 1 364.494 0.574 10 0 FCAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000128370187 1180105062 /nfs/dbraw/zinc/10/50/62/1180105062.db2.gz UVDXQGXNSHVRRU-HNNXBMFYSA-N 2 1 364.494 0.477 10 0 FCAEMP Cn1ccc(=O)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000931256304 1183206802 /nfs/dbraw/zinc/20/68/02/1183206802.db2.gz BIOGHVQEYFUGGJ-UHFFFAOYSA-N 2 1 355.442 0.722 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001481526032 1186240365 /nfs/dbraw/zinc/24/03/65/1186240365.db2.gz PWZYQFRACHCPOP-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001719847360 1186353993 /nfs/dbraw/zinc/35/39/93/1186353993.db2.gz LVUWMWHBCZNWND-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001719847360 1186353996 /nfs/dbraw/zinc/35/39/96/1186353996.db2.gz LVUWMWHBCZNWND-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001719847360 1186353997 /nfs/dbraw/zinc/35/39/97/1186353997.db2.gz LVUWMWHBCZNWND-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001719847412 1186354828 /nfs/dbraw/zinc/35/48/28/1186354828.db2.gz NSHGITOGSQDLPF-NCOADZHNSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001719847412 1186354834 /nfs/dbraw/zinc/35/48/34/1186354834.db2.gz NSHGITOGSQDLPF-NCOADZHNSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001719847412 1186354841 /nfs/dbraw/zinc/35/48/41/1186354841.db2.gz NSHGITOGSQDLPF-NCOADZHNSA-N 2 1 350.507 0.917 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)N2CCC2)C2CC2)CC[N@H+]1C ZINC001481930217 1187552708 /nfs/dbraw/zinc/55/27/08/1187552708.db2.gz FSUIVOPUNJJVRJ-FRQCXROJSA-N 2 1 350.507 0.824 10 0 FCAEMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000549878133 1187556711 /nfs/dbraw/zinc/55/67/11/1187556711.db2.gz WEWSFWXADXNZAB-QGZVFWFLSA-N 2 1 366.506 0.302 10 0 FCAEMP C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268746368 1187769254 /nfs/dbraw/zinc/76/92/54/1187769254.db2.gz PGHIWPJIYNPKNK-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268746368 1187769258 /nfs/dbraw/zinc/76/92/58/1187769258.db2.gz PGHIWPJIYNPKNK-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268746368 1187769262 /nfs/dbraw/zinc/76/92/62/1187769262.db2.gz PGHIWPJIYNPKNK-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP C[C@H](C[NH+](C)CC(=O)N(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268746368 1187769265 /nfs/dbraw/zinc/76/92/65/1187769265.db2.gz PGHIWPJIYNPKNK-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)Nc2cnccn2)C2CC2)CC[N@H+]1C ZINC001269071903 1187813663 /nfs/dbraw/zinc/81/36/63/1187813663.db2.gz TWSUJXWGKKYGDM-YUELXQCFSA-N 2 1 360.462 0.240 10 0 FCAEMP Cc1cc(NC(=O)[C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC001269416312 1187847784 /nfs/dbraw/zinc/84/77/84/1187847784.db2.gz RVDLYTZJUJEKAO-BFHYXJOUSA-N 2 1 363.462 0.889 10 0 FCAEMP C[C@@H](C[NH2+]CC(=O)N(C)c1nccs1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482283159 1188120877 /nfs/dbraw/zinc/12/08/77/1188120877.db2.gz IXDBYPOEWJJYTP-BFHYXJOUSA-N 2 1 367.519 0.883 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550329879 1188339294 /nfs/dbraw/zinc/33/92/94/1188339294.db2.gz LLIWFMBQYVXQPI-INIZCTEOSA-N 2 1 368.522 0.594 10 0 FCAEMP CCn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)n1 ZINC001271038355 1189523299 /nfs/dbraw/zinc/52/32/99/1189523299.db2.gz KNRBNRHVCUUIRL-NVXWUHKLSA-N 2 1 363.506 0.998 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3C[C@@H]4CCCCN4C3=O)cn2)CC1 ZINC000895341185 1189839173 /nfs/dbraw/zinc/83/91/73/1189839173.db2.gz FPGFPLSUPZZLCU-KRWDZBQOSA-N 2 1 373.505 0.608 10 0 FCAEMP CCCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001271840505 1190725128 /nfs/dbraw/zinc/72/51/28/1190725128.db2.gz ZMNXKNMLSZHPAI-KFWWJZLASA-N 2 1 369.510 0.293 10 0 FCAEMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897353358 1190750489 /nfs/dbraw/zinc/75/04/89/1190750489.db2.gz HZVNMAFMVNFFTI-WOJBJXKFSA-N 2 1 373.497 0.980 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897450988 1191195348 /nfs/dbraw/zinc/19/53/48/1191195348.db2.gz MQLLOTVHNRGFOU-HNNXBMFYSA-N 2 1 370.457 0.830 10 0 FCAEMP C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000152371458 1193787116 /nfs/dbraw/zinc/78/71/16/1193787116.db2.gz AGTLMBHADCHERN-OKZBNKHCSA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000152371458 1193787119 /nfs/dbraw/zinc/78/71/19/1193787119.db2.gz AGTLMBHADCHERN-OKZBNKHCSA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152371458 1193787122 /nfs/dbraw/zinc/78/71/22/1193787122.db2.gz AGTLMBHADCHERN-OKZBNKHCSA-N 2 1 367.538 0.517 10 0 FCAEMP C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152371458 1193787126 /nfs/dbraw/zinc/78/71/26/1193787126.db2.gz AGTLMBHADCHERN-OKZBNKHCSA-N 2 1 367.538 0.517 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000553275553 1193983941 /nfs/dbraw/zinc/98/39/41/1193983941.db2.gz LAHYIYZWWRNAML-MRXNPFEDSA-N 2 1 366.506 0.300 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000842228740 1194108244 /nfs/dbraw/zinc/10/82/44/1194108244.db2.gz AVEZIQXTZJMNEB-MAUKXSAKSA-N 2 1 360.502 0.993 10 0 FCAEMP CC(C)(C)OC(=O)N1C[C@@H](n2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CO1 ZINC000905066165 1195574809 /nfs/dbraw/zinc/57/48/09/1195574809.db2.gz VKRLTHPLJDCNRO-OAHLLOKOSA-N 2 1 366.466 0.967 10 0 FCAEMP CN1CCC(CNC(=O)C2CN(C)CC[N@@H+](C)C2)([NH+]2CCCCC2)CC1 ZINC000906824334 1195668174 /nfs/dbraw/zinc/66/81/74/1195668174.db2.gz SQCCTUSNMSNEHH-UHFFFAOYSA-N 2 1 365.566 0.546 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000907739861 1195707264 /nfs/dbraw/zinc/70/72/64/1195707264.db2.gz VWINDUNDIXWIIB-HBFSDRIKSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000907739861 1195707269 /nfs/dbraw/zinc/70/72/69/1195707269.db2.gz VWINDUNDIXWIIB-HBFSDRIKSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000907739861 1195707273 /nfs/dbraw/zinc/70/72/73/1195707273.db2.gz VWINDUNDIXWIIB-HBFSDRIKSA-N 2 1 361.486 0.849 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000907739863 1195708297 /nfs/dbraw/zinc/70/82/97/1195708297.db2.gz VWINDUNDIXWIIB-QWFCFKBJSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000907739863 1195708301 /nfs/dbraw/zinc/70/83/01/1195708301.db2.gz VWINDUNDIXWIIB-QWFCFKBJSA-N 2 1 361.486 0.849 10 0 FCAEMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000907739863 1195708308 /nfs/dbraw/zinc/70/83/08/1195708308.db2.gz VWINDUNDIXWIIB-QWFCFKBJSA-N 2 1 361.486 0.849 10 0 FCAEMP COCC[NH+](CCOC)C1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000908162595 1195724942 /nfs/dbraw/zinc/72/49/42/1195724942.db2.gz SZTUHDTZDLGWAA-IBGZPJMESA-N 2 1 371.522 0.419 10 0 FCAEMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CC[NH+](CC)C[C@@H]32)C1 ZINC000908416768 1195743214 /nfs/dbraw/zinc/74/32/14/1195743214.db2.gz BZHVAENOVBMPLD-YESZJQIVSA-N 2 1 367.490 0.583 10 0 FCAEMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CC[NH+](CC)C[C@@H]32)C1 ZINC000908416768 1195743216 /nfs/dbraw/zinc/74/32/16/1195743216.db2.gz BZHVAENOVBMPLD-YESZJQIVSA-N 2 1 367.490 0.583 10 0 FCAEMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)C1 ZINC000908416768 1195743220 /nfs/dbraw/zinc/74/32/20/1195743220.db2.gz BZHVAENOVBMPLD-YESZJQIVSA-N 2 1 367.490 0.583 10 0 FCAEMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)C1 ZINC000908416768 1195743223 /nfs/dbraw/zinc/74/32/23/1195743223.db2.gz BZHVAENOVBMPLD-YESZJQIVSA-N 2 1 367.490 0.583 10 0 FCAEMP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1CO ZINC000913548776 1196456404 /nfs/dbraw/zinc/45/64/04/1196456404.db2.gz SRKBERMIWZBKAK-IBGZPJMESA-N 2 1 360.502 0.724 10 0 FCAEMP C[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1CO ZINC000913548776 1196456413 /nfs/dbraw/zinc/45/64/13/1196456413.db2.gz SRKBERMIWZBKAK-IBGZPJMESA-N 2 1 360.502 0.724 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000592158473 1196538693 /nfs/dbraw/zinc/53/86/93/1196538693.db2.gz DPUJDDRUVKVVLO-HYVNUMGLSA-N 2 1 363.458 0.673 10 0 FCAEMP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000592158473 1196538695 /nfs/dbraw/zinc/53/86/95/1196538695.db2.gz DPUJDDRUVKVVLO-HYVNUMGLSA-N 2 1 363.458 0.673 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc3c(o2)CCCC3)CC[N@@H+]1C ZINC001272426896 1197073102 /nfs/dbraw/zinc/07/31/02/1197073102.db2.gz XTZQADCLKARKGW-OFQRWUPVSA-N 2 1 364.490 0.850 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc3c(o2)CCCC3)CC[N@H+]1C ZINC001272426896 1197073108 /nfs/dbraw/zinc/07/31/08/1197073108.db2.gz XTZQADCLKARKGW-OFQRWUPVSA-N 2 1 364.490 0.850 10 0 FCAEMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000913992618 1197193726 /nfs/dbraw/zinc/19/37/26/1197193726.db2.gz DRROQGQFOKKFJK-ZWKOTPCHSA-N 2 1 368.522 0.896 10 0 FCAEMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000913992618 1197193732 /nfs/dbraw/zinc/19/37/32/1197193732.db2.gz DRROQGQFOKKFJK-ZWKOTPCHSA-N 2 1 368.522 0.896 10 0 FCAEMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000735590830 1197867925 /nfs/dbraw/zinc/86/79/25/1197867925.db2.gz LROHHYAWDSQPJW-SFHVURJKSA-N 2 1 373.501 0.977 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001746905941 1197931352 /nfs/dbraw/zinc/93/13/52/1197931352.db2.gz AVRNEUJBEWAWPT-DLBZAZTESA-N 2 1 368.522 0.356 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001746905941 1197931357 /nfs/dbraw/zinc/93/13/57/1197931357.db2.gz AVRNEUJBEWAWPT-DLBZAZTESA-N 2 1 368.522 0.356 10 0 FCAEMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000793805529 1201266759 /nfs/dbraw/zinc/26/67/59/1201266759.db2.gz OTQVUPXPMWMCNP-UHFFFAOYSA-N 2 1 358.446 0.602 10 0 FCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000747229585 1201497887 /nfs/dbraw/zinc/49/78/87/1201497887.db2.gz KRDMOYKWCPGNMN-IAGOWNOFSA-N 2 1 361.490 0.612 10 0 FCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000747229585 1201497888 /nfs/dbraw/zinc/49/78/88/1201497888.db2.gz KRDMOYKWCPGNMN-IAGOWNOFSA-N 2 1 361.490 0.612 10 0 FCAEMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747558351 1202928139 /nfs/dbraw/zinc/92/81/39/1202928139.db2.gz WBFXTCLMUYQPHM-CQSZACIVSA-N 2 1 366.466 0.546 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000824825792 1203304417 /nfs/dbraw/zinc/30/44/17/1203304417.db2.gz DBWHIOZQQYGGEF-KSZLIROESA-N 2 1 370.538 0.254 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000824825792 1203304420 /nfs/dbraw/zinc/30/44/20/1203304420.db2.gz DBWHIOZQQYGGEF-KSZLIROESA-N 2 1 370.538 0.254 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNc2ccc(OCC[NH3+])cc2)C1 ZINC000844222599 1204379550 /nfs/dbraw/zinc/37/95/50/1204379550.db2.gz IPRIGAVAADPTBS-SFHVURJKSA-N 2 1 364.490 0.909 10 0 FCAEMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]1(O)CCC[NH+](Cc2ccccc2)C1 ZINC001146375903 1204716482 /nfs/dbraw/zinc/71/64/82/1204716482.db2.gz CSCZFOCSPJPMQP-UYAOXDASSA-N 2 1 360.502 0.376 10 0 FCAEMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001146375903 1204716487 /nfs/dbraw/zinc/71/64/87/1204716487.db2.gz CSCZFOCSPJPMQP-UYAOXDASSA-N 2 1 360.502 0.376 10 0 FCAEMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001146375903 1204716491 /nfs/dbraw/zinc/71/64/91/1204716491.db2.gz CSCZFOCSPJPMQP-UYAOXDASSA-N 2 1 360.502 0.376 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001273878114 1208445529 /nfs/dbraw/zinc/44/55/29/1208445529.db2.gz ZCHQEQIYPHUGFZ-SZVBFZGTSA-N 2 1 363.506 0.246 10 0 FCAEMP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001488954713 1208582915 /nfs/dbraw/zinc/58/29/15/1208582915.db2.gz KZEDFDQQODRFTC-OWCLPIDISA-N 2 1 363.510 0.799 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001489140438 1208641645 /nfs/dbraw/zinc/64/16/45/1208641645.db2.gz JGSDVYYWIKUOKA-SQWLQELKSA-N 2 1 367.494 0.094 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCNC(=O)NC(C)C ZINC001489144487 1208644152 /nfs/dbraw/zinc/64/41/52/1208644152.db2.gz DOJVNSMBKNILBT-HRCADAONSA-N 2 1 353.511 0.615 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCNC(=O)NC(C)C ZINC001489144487 1208644154 /nfs/dbraw/zinc/64/41/54/1208644154.db2.gz DOJVNSMBKNILBT-HRCADAONSA-N 2 1 353.511 0.615 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCNC(=O)NC(C)C ZINC001489144487 1208644159 /nfs/dbraw/zinc/64/41/59/1208644159.db2.gz DOJVNSMBKNILBT-HRCADAONSA-N 2 1 353.511 0.615 10 0 FCAEMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001489207236 1208671635 /nfs/dbraw/zinc/67/16/35/1208671635.db2.gz RDABODLGFFZJAF-SJORKVTESA-N 2 1 351.491 0.526 10 0 FCAEMP CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001489207704 1208672288 /nfs/dbraw/zinc/67/22/88/1208672288.db2.gz YBBZRTKXAROQDG-IXDOHACOSA-N 2 1 362.518 0.907 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001489271150 1208748944 /nfs/dbraw/zinc/74/89/44/1208748944.db2.gz FOHNLAWKBSQTJO-OAGGEKHMSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)C[C@H]1OC ZINC001489546506 1208909805 /nfs/dbraw/zinc/90/98/05/1208909805.db2.gz WATSLASUNODTGV-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1OC ZINC001489546506 1208909808 /nfs/dbraw/zinc/90/98/08/1208909808.db2.gz WATSLASUNODTGV-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1OC ZINC001489546506 1208909811 /nfs/dbraw/zinc/90/98/11/1208909811.db2.gz WATSLASUNODTGV-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001490015970 1209190927 /nfs/dbraw/zinc/19/09/27/1209190927.db2.gz LZSZFVAEBJGFFW-BBWFWOEESA-N 2 1 368.522 0.543 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001490015970 1209190930 /nfs/dbraw/zinc/19/09/30/1209190930.db2.gz LZSZFVAEBJGFFW-BBWFWOEESA-N 2 1 368.522 0.543 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001490039720 1209221459 /nfs/dbraw/zinc/22/14/59/1209221459.db2.gz DZLBCEXIEGXASX-ZACQAIPSSA-N 2 1 350.507 0.587 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001490041005 1209222120 /nfs/dbraw/zinc/22/21/20/1209222120.db2.gz PPUHKAXCKLSTTK-ZJPYXAASSA-N 2 1 364.534 0.975 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001490041005 1209222121 /nfs/dbraw/zinc/22/21/21/1209222121.db2.gz PPUHKAXCKLSTTK-ZJPYXAASSA-N 2 1 364.534 0.975 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001490041005 1209222122 /nfs/dbraw/zinc/22/21/22/1209222122.db2.gz PPUHKAXCKLSTTK-ZJPYXAASSA-N 2 1 364.534 0.975 10 0 FCAEMP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001490327047 1209318842 /nfs/dbraw/zinc/31/88/42/1209318842.db2.gz IBVJXWRROAGXDA-ZIAGYGMSSA-N 2 1 365.478 0.512 10 0 FCAEMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850808554 1209489639 /nfs/dbraw/zinc/48/96/39/1209489639.db2.gz WQUHXEHCKZYLBQ-RHSMWYFYSA-N 2 1 360.458 0.887 10 0 FCAEMP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000851689403 1209514832 /nfs/dbraw/zinc/51/48/32/1209514832.db2.gz OLQNOCXPGLZNST-DOTOQJQBSA-N 2 1 358.486 0.868 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)c2)C1 ZINC000852866174 1209569007 /nfs/dbraw/zinc/56/90/07/1209569007.db2.gz UJWPPIYTSXFGMQ-JKSUJKDBSA-N 2 1 373.457 0.104 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000852871150 1209570187 /nfs/dbraw/zinc/57/01/87/1209570187.db2.gz WBEJHVLQTXDJJJ-MRXNPFEDSA-N 2 1 368.485 0.601 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000852871150 1209570190 /nfs/dbraw/zinc/57/01/90/1209570190.db2.gz WBEJHVLQTXDJJJ-MRXNPFEDSA-N 2 1 368.485 0.601 10 0 FCAEMP CC[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852871851 1209570847 /nfs/dbraw/zinc/57/08/47/1209570847.db2.gz CSJNBNCZLVVDJR-SOLBZPMBSA-N 2 1 360.458 0.886 10 0 FCAEMP CC[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852871851 1209570854 /nfs/dbraw/zinc/57/08/54/1209570854.db2.gz CSJNBNCZLVVDJR-SOLBZPMBSA-N 2 1 360.458 0.886 10 0 FCAEMP 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CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCCCC(=O)C1=O ZINC000865088564 1209970264 /nfs/dbraw/zinc/97/02/64/1209970264.db2.gz HYAVEQDVMZJMGC-INIZCTEOSA-N 2 1 366.506 0.443 10 0 FCAEMP Cn1c2ncn(CC[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000866706174 1210002170 /nfs/dbraw/zinc/00/21/70/1210002170.db2.gz MYVHOPCHNMKZLT-GOSISDBHSA-N 2 1 362.478 0.131 10 0 FCAEMP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708090 1210002510 /nfs/dbraw/zinc/00/25/10/1210002510.db2.gz LGMDFJKEOLAQQO-PLYYQAHHSA-N 2 1 370.453 0.831 10 0 FCAEMP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708090 1210002512 /nfs/dbraw/zinc/00/25/12/1210002512.db2.gz LGMDFJKEOLAQQO-PLYYQAHHSA-N 2 1 370.453 0.831 10 0 FCAEMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708730 1210003096 /nfs/dbraw/zinc/00/30/96/1210003096.db2.gz ODYLWISZDXQHOT-LLLHUVSDSA-N 2 1 364.490 0.938 10 0 FCAEMP 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FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710373 1210003972 /nfs/dbraw/zinc/00/39/72/1210003972.db2.gz PTNHZWSMZDEXRK-LUKYLMHMSA-N 2 1 356.426 0.659 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000866710373 1210003976 /nfs/dbraw/zinc/00/39/76/1210003976.db2.gz PTNHZWSMZDEXRK-LUKYLMHMSA-N 2 1 356.426 0.659 10 0 FCAEMP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710017 1210004139 /nfs/dbraw/zinc/00/41/39/1210004139.db2.gz WCGYXMUUVJFKEC-ZACQAIPSSA-N 2 1 358.442 0.512 10 0 FCAEMP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710017 1210004144 /nfs/dbraw/zinc/00/41/44/1210004144.db2.gz WCGYXMUUVJFKEC-ZACQAIPSSA-N 2 1 358.442 0.512 10 0 FCAEMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867444696 1210006951 /nfs/dbraw/zinc/00/69/51/1210006951.db2.gz NWNQQNMNPOMWQA-SJORKVTESA-N 2 1 368.522 0.356 10 0 FCAEMP 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COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868280414 1210049081 /nfs/dbraw/zinc/04/90/81/1210049081.db2.gz FLUDEYHZCIZYKQ-GOSISDBHSA-N 2 1 367.538 0.519 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCC1(C)C ZINC000868299042 1210050499 /nfs/dbraw/zinc/05/04/99/1210050499.db2.gz YSCKHZKUZQNEBM-CQSZACIVSA-N 2 1 359.474 0.779 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000868392153 1210061509 /nfs/dbraw/zinc/06/15/09/1210061509.db2.gz TVXLXKJQVWPUKS-BSDSXHPESA-N 2 1 362.518 0.920 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4ccccc4[C@H]3C[NH3+])CC[C@H]21 ZINC000868393637 1210061837 /nfs/dbraw/zinc/06/18/37/1210061837.db2.gz QLJHERBWMLMEKP-KBAYOESNSA-N 2 1 356.470 0.624 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868416705 1210063826 /nfs/dbraw/zinc/06/38/26/1210063826.db2.gz BEGKIICUTBJFBV-JKSUJKDBSA-N 2 1 366.506 0.156 10 0 FCAEMP 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364.490 0.049 10 0 FCAEMP C[C@@H]1OCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@H]1C ZINC000903742279 1218512396 /nfs/dbraw/zinc/51/23/96/1218512396.db2.gz MORYGIYPLHCWNG-NXNVCVFFSA-N 2 1 364.490 0.049 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC[C@@H]1C(F)(F)F ZINC000903740999 1218512530 /nfs/dbraw/zinc/51/25/30/1218512530.db2.gz ARXHSMWOGDSKPO-NWDGAFQWSA-N 2 1 373.379 0.854 10 0 FCAEMP C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@H]1C ZINC000903743872 1218513734 /nfs/dbraw/zinc/51/37/34/1218513734.db2.gz HQZTYPGXOFSZOI-CIRFHOKZSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@H]1C ZINC000903743872 1218513743 /nfs/dbraw/zinc/51/37/43/1218513743.db2.gz HQZTYPGXOFSZOI-CIRFHOKZSA-N 2 1 362.518 0.918 10 0 FCAEMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000903755733 1218516471 /nfs/dbraw/zinc/51/64/71/1218516471.db2.gz CCKNZMGSIPILEC-KSZLIROESA-N 2 1 370.497 0.773 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cnn1C ZINC000903879083 1218558960 /nfs/dbraw/zinc/55/89/60/1218558960.db2.gz RWHNSTZLDJGGOH-IAGOWNOFSA-N 2 1 363.506 0.417 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cnn1C ZINC000903879085 1218559474 /nfs/dbraw/zinc/55/94/74/1218559474.db2.gz RWHNSTZLDJGGOH-SJORKVTESA-N 2 1 363.506 0.417 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804052692 1219106829 /nfs/dbraw/zinc/10/68/29/1219106829.db2.gz ZLHBRCVZSLSLMP-IRXDYDNUSA-N 2 1 366.506 0.204 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001491018060 1220070526 /nfs/dbraw/zinc/07/05/26/1220070526.db2.gz GEOQTGKOGVVFEN-NIFZNCRKSA-N 2 1 367.494 0.188 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)[C@@H](c2ccccc2)C1 ZINC001491174361 1220090919 /nfs/dbraw/zinc/09/09/19/1220090919.db2.gz YEUOPKFOFCOWNL-JQHSSLGASA-N 2 1 358.486 0.645 10 0 FCAEMP 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COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518964 1245397441 /nfs/dbraw/zinc/39/74/41/1245397441.db2.gz UDBWTKJEWIIZED-ROUUACIJSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518964 1245397448 /nfs/dbraw/zinc/39/74/48/1245397448.db2.gz UDBWTKJEWIIZED-ROUUACIJSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518964 1245397452 /nfs/dbraw/zinc/39/74/52/1245397452.db2.gz UDBWTKJEWIIZED-ROUUACIJSA-N 2 1 365.522 0.928 10 0 FCAEMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000871001220 1245433397 /nfs/dbraw/zinc/43/33/97/1245433397.db2.gz VTMUYICJFCNVIZ-WCXIOVBPSA-N 2 1 358.442 0.683 10 0 FCAEMP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000923398590 1245714976 /nfs/dbraw/zinc/71/49/76/1245714976.db2.gz LSFIGAMJRPQZBI-CVEARBPZSA-N 2 1 367.494 0.023 10 0 FCAEMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416273 1245717943 /nfs/dbraw/zinc/71/79/43/1245717943.db2.gz VANGQDWGJKIOLX-CUSZFKRNSA-N 2 1 361.442 0.602 10 0 FCAEMP CCN(CC)C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923466729 1245721470 /nfs/dbraw/zinc/72/14/70/1245721470.db2.gz WAIXVQGHYKUYLD-UHFFFAOYSA-N 2 1 361.490 0.602 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464090 1245721840 /nfs/dbraw/zinc/72/18/40/1245721840.db2.gz ZDZKPYJSQRPEOJ-MRXNPFEDSA-N 2 1 363.481 0.358 10 0 FCAEMP C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000923465364 1245722242 /nfs/dbraw/zinc/72/22/42/1245722242.db2.gz YUACIBWVKMQOMI-CABCVRRESA-N 2 1 362.474 0.518 10 0 FCAEMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503210 1245725287 /nfs/dbraw/zinc/72/52/87/1245725287.db2.gz HUXLGPRLPFFNFP-BZUAXINKSA-N 2 1 362.474 0.869 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001515239413 1265476962 /nfs/dbraw/zinc/47/69/62/1265476962.db2.gz FXTLMWNRSYFEHV-IAGOWNOFSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[N@@H+](C)C1CC1 ZINC001329076776 1265686785 /nfs/dbraw/zinc/68/67/85/1265686785.db2.gz MKLCBOUCCPNKGT-PBHICJAKSA-N 2 1 366.506 0.202 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001519363499 1265716017 /nfs/dbraw/zinc/71/60/17/1265716017.db2.gz SIGDWNGHWVAQJS-XYJFISCASA-N 2 1 354.495 0.386 10 0 FCAEMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001519363499 1265716020 /nfs/dbraw/zinc/71/60/20/1265716020.db2.gz SIGDWNGHWVAQJS-XYJFISCASA-N 2 1 354.495 0.386 10 0 FCAEMP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001519363499 1265716028 /nfs/dbraw/zinc/71/60/28/1265716028.db2.gz SIGDWNGHWVAQJS-XYJFISCASA-N 2 1 354.495 0.386 10 0 FCAEMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC001329855428 1265875758 /nfs/dbraw/zinc/87/57/58/1265875758.db2.gz JJUFPSLVIQFJAR-UHFFFAOYSA-N 2 1 370.497 0.898 10 0 FCAEMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC001520653751 1265957583 /nfs/dbraw/zinc/95/75/83/1265957583.db2.gz TZOVEWUODBUIRS-WMZOPIPTSA-N 2 1 352.523 0.487 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001520784703 1265999207 /nfs/dbraw/zinc/99/92/07/1265999207.db2.gz HPDFIZXOGBRVHH-PMPSAXMXSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001521641435 1266155745 /nfs/dbraw/zinc/15/57/45/1266155745.db2.gz FQIJRSCKPDNGMW-ABSDTBQOSA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001521641435 1266155749 /nfs/dbraw/zinc/15/57/49/1266155749.db2.gz FQIJRSCKPDNGMW-ABSDTBQOSA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001521641435 1266155754 /nfs/dbraw/zinc/15/57/54/1266155754.db2.gz FQIJRSCKPDNGMW-ABSDTBQOSA-N 2 1 364.534 0.975 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001521927802 1266233602 /nfs/dbraw/zinc/23/36/02/1266233602.db2.gz HLQIBPCYJDREDJ-ZACQAIPSSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001521927802 1266233613 /nfs/dbraw/zinc/23/36/13/1266233613.db2.gz HLQIBPCYJDREDJ-ZACQAIPSSA-N 2 1 366.506 0.014 10 0 FCAEMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001261379294 1260128986 /nfs/dbraw/zinc/12/89/86/1260128986.db2.gz YOPQYAOJPQTOKE-ZACQAIPSSA-N 2 1 359.474 0.544 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001263943807 1260358454 /nfs/dbraw/zinc/35/84/54/1260358454.db2.gz FDEYJRWMDSGZFA-RYQLBKOJSA-N 2 1 363.506 0.681 10 0 FCAEMP Cc1nc(C)n(CC[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001264490793 1260374433 /nfs/dbraw/zinc/37/44/33/1260374433.db2.gz ANSUVSJNMPDIAD-DLBZAZTESA-N 2 1 359.478 0.975 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CCn1cccn1 ZINC001264526789 1260377617 /nfs/dbraw/zinc/37/76/17/1260377617.db2.gz IXZZTJDEUSOYMG-BRSBDYLESA-N 2 1 363.506 0.676 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)Nc2ccon2)C2CC2)CC[N@H+]1C ZINC001265357333 1260411510 /nfs/dbraw/zinc/41/15/10/1260411510.db2.gz YOWPYAIVSLUHMT-RRFJBIMHSA-N 2 1 363.462 0.828 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001278497860 1260702249 /nfs/dbraw/zinc/70/22/49/1260702249.db2.gz GWDGMORRJXXELK-RKVPGOIHSA-N 2 1 366.485 0.916 10 0 FCAEMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001332225804 1266361333 /nfs/dbraw/zinc/36/13/33/1266361333.db2.gz LQDSVPNXFFJCQY-LJQANCHMSA-N 2 1 365.474 0.488 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001281346717 1261112866 /nfs/dbraw/zinc/11/28/66/1261112866.db2.gz GDRMFGAGQYJLLD-RDHHWEPZSA-N 2 1 366.506 0.155 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001281346717 1261112869 /nfs/dbraw/zinc/11/28/69/1261112869.db2.gz GDRMFGAGQYJLLD-RDHHWEPZSA-N 2 1 366.506 0.155 10 0 FCAEMP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001281848692 1261231806 /nfs/dbraw/zinc/23/18/06/1261231806.db2.gz XJSBMFCEZYZBDM-MDZRGWNJSA-N 2 1 366.506 0.156 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001281951483 1261305757 /nfs/dbraw/zinc/30/57/57/1261305757.db2.gz GOIUHBCSWDUZAM-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001281951483 1261305762 /nfs/dbraw/zinc/30/57/62/1261305762.db2.gz GOIUHBCSWDUZAM-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001281951483 1261305766 /nfs/dbraw/zinc/30/57/66/1261305766.db2.gz GOIUHBCSWDUZAM-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001281951483 1261305770 /nfs/dbraw/zinc/30/57/70/1261305770.db2.gz GOIUHBCSWDUZAM-ZACQAIPSSA-N 2 1 366.506 0.108 10 0 FCAEMP C(C[NH+]1CCC(NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1)N1CCOCC1 ZINC001332439632 1266404970 /nfs/dbraw/zinc/40/49/70/1266404970.db2.gz CXKSJAMHUUJPBG-HXUWFJFHSA-N 2 1 366.550 0.626 10 0 FCAEMP C(C[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCOCC2)CC1)N1CCOCC1 ZINC001332439632 1266404975 /nfs/dbraw/zinc/40/49/75/1266404975.db2.gz CXKSJAMHUUJPBG-HXUWFJFHSA-N 2 1 366.550 0.626 10 0 FCAEMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)CC1 ZINC001282291260 1261404578 /nfs/dbraw/zinc/40/45/78/1261404578.db2.gz OFSFUQJGRYESTR-IKGGRYGDSA-N 2 1 362.518 0.729 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001282304077 1261409666 /nfs/dbraw/zinc/40/96/66/1261409666.db2.gz GHLQNCFHBDJNBI-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001282390874 1261442910 /nfs/dbraw/zinc/44/29/10/1261442910.db2.gz JZKSBQCZKHZHHC-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001282390874 1261442914 /nfs/dbraw/zinc/44/29/14/1261442914.db2.gz JZKSBQCZKHZHHC-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001282390874 1261442917 /nfs/dbraw/zinc/44/29/17/1261442917.db2.gz JZKSBQCZKHZHHC-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC001282390874 1261442921 /nfs/dbraw/zinc/44/29/21/1261442921.db2.gz JZKSBQCZKHZHHC-AEGPPILISA-N 2 1 367.494 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C(C)C)CC[N@@H+]1C ZINC001332515125 1266420581 /nfs/dbraw/zinc/42/05/81/1266420581.db2.gz ASLYRQHDSOKUAF-HRCADAONSA-N 2 1 366.510 0.498 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C(C)C)CC[N@H+]1C ZINC001332515125 1266420586 /nfs/dbraw/zinc/42/05/86/1266420586.db2.gz ASLYRQHDSOKUAF-HRCADAONSA-N 2 1 366.510 0.498 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001522215355 1266422030 /nfs/dbraw/zinc/42/20/30/1266422030.db2.gz WIKULEYDNJGKAB-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522215355 1266422037 /nfs/dbraw/zinc/42/20/37/1266422037.db2.gz WIKULEYDNJGKAB-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522215355 1266422039 /nfs/dbraw/zinc/42/20/39/1266422039.db2.gz WIKULEYDNJGKAB-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC001283325467 1261679312 /nfs/dbraw/zinc/67/93/12/1261679312.db2.gz NINMSGFNYQCBSF-ZACQAIPSSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC001283325467 1261679323 /nfs/dbraw/zinc/67/93/23/1261679323.db2.gz NINMSGFNYQCBSF-ZACQAIPSSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC001283325467 1261679332 /nfs/dbraw/zinc/67/93/32/1261679332.db2.gz NINMSGFNYQCBSF-ZACQAIPSSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC001283325467 1261679341 /nfs/dbraw/zinc/67/93/41/1261679341.db2.gz NINMSGFNYQCBSF-ZACQAIPSSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC001283876793 1261715072 /nfs/dbraw/zinc/71/50/72/1261715072.db2.gz ODVOPGYQYJJSHF-IXDOHACOSA-N 2 1 366.506 0.156 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)CC[N@H+]1C ZINC001283876793 1261715077 /nfs/dbraw/zinc/71/50/77/1261715077.db2.gz ODVOPGYQYJJSHF-IXDOHACOSA-N 2 1 366.506 0.156 10 0 FCAEMP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001284296807 1261745193 /nfs/dbraw/zinc/74/51/93/1261745193.db2.gz QDENFLJSUXTGFE-BZUAXINKSA-N 2 1 368.522 0.306 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001285137066 1261813945 /nfs/dbraw/zinc/81/39/45/1261813945.db2.gz NITPQFZKPCMQTM-IDHHARJASA-N 2 1 361.490 0.933 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001285137066 1261813952 /nfs/dbraw/zinc/81/39/52/1261813952.db2.gz NITPQFZKPCMQTM-IDHHARJASA-N 2 1 361.490 0.933 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001285137067 1261814831 /nfs/dbraw/zinc/81/48/31/1261814831.db2.gz NITPQFZKPCMQTM-OGWOLHLISA-N 2 1 361.490 0.933 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001285137067 1261814833 /nfs/dbraw/zinc/81/48/33/1261814833.db2.gz NITPQFZKPCMQTM-OGWOLHLISA-N 2 1 361.490 0.933 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001288245592 1262014743 /nfs/dbraw/zinc/01/47/43/1262014743.db2.gz PGURBDDOSNZZOF-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001288245592 1262014748 /nfs/dbraw/zinc/01/47/48/1262014748.db2.gz PGURBDDOSNZZOF-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN(CCOC)C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001288245592 1262014751 /nfs/dbraw/zinc/01/47/51/1262014751.db2.gz PGURBDDOSNZZOF-BBWFWOEESA-N 2 1 368.522 0.402 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001289530010 1262239973 /nfs/dbraw/zinc/23/99/73/1262239973.db2.gz UMMBPUVUPFQOMM-OWCLPIDISA-N 2 1 368.522 0.543 10 0 FCAEMP 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C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCOCC(F)(F)F)C2)C1 ZINC001565890875 1269506198 /nfs/dbraw/zinc/50/61/98/1269506198.db2.gz ARPYOCBYHYZNRT-BFHYXJOUSA-N 2 1 367.412 0.770 10 0 FCAEMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCOCC(F)(F)F)C2)C1 ZINC001565890875 1269506203 /nfs/dbraw/zinc/50/62/03/1269506203.db2.gz ARPYOCBYHYZNRT-BFHYXJOUSA-N 2 1 367.412 0.770 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC001565897958 1269510704 /nfs/dbraw/zinc/51/07/04/1269510704.db2.gz FPBMYSFIUZZUOU-JKSUJKDBSA-N 2 1 350.507 0.968 10 0 FCAEMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001565919123 1269517170 /nfs/dbraw/zinc/51/71/70/1269517170.db2.gz ADBSVPOKXKTHCI-HZSPNIEDSA-N 2 1 355.483 0.045 10 0 FCAEMP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cnn(C)c1 ZINC001565924234 1269519745 /nfs/dbraw/zinc/51/97/45/1269519745.db2.gz BOORBHOIBDDAQQ-HYVNUMGLSA-N 2 1 360.462 0.544 10 0 FCAEMP 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CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001566049936 1269583240 /nfs/dbraw/zinc/58/32/40/1269583240.db2.gz WHYYTMDYXCTSNL-ZACQAIPSSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001566053001 1269586425 /nfs/dbraw/zinc/58/64/25/1269586425.db2.gz QPAJAOKSZPFXOQ-BBWFWOEESA-N 2 1 362.518 0.777 10 0 FCAEMP COCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001566103213 1269604013 /nfs/dbraw/zinc/60/40/13/1269604013.db2.gz AVQHUQNGKZAXED-KYJSFNMBSA-N 2 1 364.490 0.996 10 0 FCAEMP COCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001566103213 1269604017 /nfs/dbraw/zinc/60/40/17/1269604017.db2.gz AVQHUQNGKZAXED-KYJSFNMBSA-N 2 1 364.490 0.996 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C)[NH+](C)C ZINC001566103672 1269605142 /nfs/dbraw/zinc/60/51/42/1269605142.db2.gz UKIMXPTUPOYNLM-RDBSUJKOSA-N 2 1 367.494 0.236 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C)[NH+](C)C ZINC001566103672 1269605146 /nfs/dbraw/zinc/60/51/46/1269605146.db2.gz UKIMXPTUPOYNLM-RDBSUJKOSA-N 2 1 367.494 0.236 10 0 FCAEMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNC(=O)C2CC2)[C@@H]1C ZINC001566115626 1269616187 /nfs/dbraw/zinc/61/61/87/1269616187.db2.gz NAOJCWHXVSZUEY-PVAVHDDUSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCNC(=O)C2CC2)[C@@H]1C ZINC001566115626 1269616195 /nfs/dbraw/zinc/61/61/95/1269616195.db2.gz NAOJCWHXVSZUEY-PVAVHDDUSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001566115626 1269616203 /nfs/dbraw/zinc/61/62/03/1269616203.db2.gz NAOJCWHXVSZUEY-PVAVHDDUSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001566115626 1269616210 /nfs/dbraw/zinc/61/62/10/1269616210.db2.gz NAOJCWHXVSZUEY-PVAVHDDUSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1C ZINC001566457135 1269646626 /nfs/dbraw/zinc/64/66/26/1269646626.db2.gz UPAVBBSANLZTIB-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC[NH+]1C ZINC001566457135 1269646631 /nfs/dbraw/zinc/64/66/31/1269646631.db2.gz UPAVBBSANLZTIB-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC[NH+]1C ZINC001566457135 1269646640 /nfs/dbraw/zinc/64/66/40/1269646640.db2.gz UPAVBBSANLZTIB-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1OC ZINC001342902891 1269671542 /nfs/dbraw/zinc/67/15/42/1269671542.db2.gz LMNYYHUYWKKSCI-HZPDHXFCSA-N 2 1 370.538 0.648 10 0 FCAEMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566972099 1269672012 /nfs/dbraw/zinc/67/20/12/1269672012.db2.gz TXUAQNWPXXAMOJ-NEMWNAMBSA-N 2 1 350.507 0.630 10 0 FCAEMP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566972099 1269672013 /nfs/dbraw/zinc/67/20/13/1269672013.db2.gz TXUAQNWPXXAMOJ-NEMWNAMBSA-N 2 1 350.507 0.630 10 0 FCAEMP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566972099 1269672018 /nfs/dbraw/zinc/67/20/18/1269672018.db2.gz TXUAQNWPXXAMOJ-NEMWNAMBSA-N 2 1 350.507 0.630 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001567017314 1269674436 /nfs/dbraw/zinc/67/44/36/1269674436.db2.gz YJNMLLXKRPGXNS-VNQPRFMTSA-N 2 1 354.495 0.106 10 0 FCAEMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCNC(=O)NC(C)C)C1 ZINC001567937651 1269714491 /nfs/dbraw/zinc/71/44/91/1269714491.db2.gz OGZCQMHZQPJREH-IXDOHACOSA-N 2 1 367.538 0.957 10 0 FCAEMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001568701343 1269745966 /nfs/dbraw/zinc/74/59/66/1269745966.db2.gz MTNNPKNYJRTRCJ-QWFCFKBJSA-N 2 1 361.486 0.564 10 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CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001571118456 1269926035 /nfs/dbraw/zinc/92/60/35/1269926035.db2.gz UOEJNMHHQBEAOA-YHUYYLMFSA-N 2 1 351.495 0.226 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)C[C@@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001571341180 1269929497 /nfs/dbraw/zinc/92/94/97/1269929497.db2.gz RTLFYWDSJRVSCD-IXDOHACOSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001571341180 1269929505 /nfs/dbraw/zinc/92/95/05/1269929505.db2.gz RTLFYWDSJRVSCD-IXDOHACOSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001571341180 1269929513 /nfs/dbraw/zinc/92/95/13/1269929513.db2.gz RTLFYWDSJRVSCD-IXDOHACOSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001571580591 1269937482 /nfs/dbraw/zinc/93/74/82/1269937482.db2.gz UBXGGQWXBPTHND-VHDGCEQUSA-N 2 1 350.463 0.801 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001571580591 1269937495 /nfs/dbraw/zinc/93/74/95/1269937495.db2.gz UBXGGQWXBPTHND-VHDGCEQUSA-N 2 1 350.463 0.801 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1O ZINC001343605042 1269959476 /nfs/dbraw/zinc/95/94/76/1269959476.db2.gz FZKSFRBYGZRFPT-CVEARBPZSA-N 2 1 368.522 0.281 10 0 FCAEMP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O)[NH+](CC)CC ZINC001343717899 1269990595 /nfs/dbraw/zinc/99/05/95/1269990595.db2.gz JTNUXBUQZNXCIY-IKGGRYGDSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001572587341 1270098811 /nfs/dbraw/zinc/09/88/11/1270098811.db2.gz OZBAIJPTLSSPGU-NVXWUHKLSA-N 2 1 350.507 0.943 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001572587341 1270098821 /nfs/dbraw/zinc/09/88/21/1270098821.db2.gz OZBAIJPTLSSPGU-NVXWUHKLSA-N 2 1 350.507 0.943 10 0 FCAEMP 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362.518 0.489 10 0 FCAEMP COc1cc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)ccn1 ZINC001677156968 1292226612 /nfs/dbraw/zinc/22/66/12/1292226612.db2.gz QCSFGNDKQVTDNL-HYVNUMGLSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1cc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccn1 ZINC001677156968 1292226622 /nfs/dbraw/zinc/22/66/22/1292226622.db2.gz QCSFGNDKQVTDNL-HYVNUMGLSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1cc(C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001677156968 1292226628 /nfs/dbraw/zinc/22/66/28/1292226628.db2.gz QCSFGNDKQVTDNL-HYVNUMGLSA-N 2 1 364.490 0.682 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001684957587 1292382771 /nfs/dbraw/zinc/38/27/71/1292382771.db2.gz RGVWQYCKEWDASF-GVDBMIGSSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001684957587 1292382783 /nfs/dbraw/zinc/38/27/83/1292382783.db2.gz RGVWQYCKEWDASF-GVDBMIGSSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001685088235 1292423535 /nfs/dbraw/zinc/42/35/35/1292423535.db2.gz HIKAXCYAEGHBAI-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001685088235 1292423539 /nfs/dbraw/zinc/42/35/39/1292423539.db2.gz HIKAXCYAEGHBAI-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001685088235 1292423543 /nfs/dbraw/zinc/42/35/43/1292423543.db2.gz HIKAXCYAEGHBAI-KURKYZTESA-N 2 1 364.534 0.977 10 0 FCAEMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001685241752 1292465689 /nfs/dbraw/zinc/46/56/89/1292465689.db2.gz QRSXEYSTMXTABY-KBMXLJTQSA-N 2 1 367.469 0.977 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)C1 ZINC001685340944 1292503888 /nfs/dbraw/zinc/50/38/88/1292503888.db2.gz WGZCGCCJICJONP-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)C1 ZINC001685340944 1292503893 /nfs/dbraw/zinc/50/38/93/1292503893.db2.gz WGZCGCCJICJONP-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC001685342785 1292505851 /nfs/dbraw/zinc/50/58/51/1292505851.db2.gz UPFNVXBKUHEFFD-PVAVHDDUSA-N 2 1 350.507 0.776 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)C1 ZINC001685370631 1292517683 /nfs/dbraw/zinc/51/76/83/1292517683.db2.gz JDLXBFYTCUVRNH-OWCLPIDISA-N 2 1 366.506 0.155 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)C1 ZINC001685370631 1292517694 /nfs/dbraw/zinc/51/76/94/1292517694.db2.gz JDLXBFYTCUVRNH-OWCLPIDISA-N 2 1 366.506 0.155 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001685719084 1292608901 /nfs/dbraw/zinc/60/89/01/1292608901.db2.gz XZGIFXPMXATPQQ-KYJSFNMBSA-N 2 1 363.506 0.988 10 0 FCAEMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001686200720 1292820702 /nfs/dbraw/zinc/82/07/02/1292820702.db2.gz HNTYMRWPWOVAGF-NCOADZHNSA-N 2 1 366.506 0.297 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCNC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001276007471 861287441 /nfs/dbraw/zinc/28/74/41/861287441.db2.gz SZFQHKYWTBECCE-HUUCEWRRSA-N 2 1 355.527 0.862 10 0 FCAEMP Cc1noc([C@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC001118907073 847630830 /nfs/dbraw/zinc/63/08/30/847630830.db2.gz GPVOKCWOWOSLJN-ZBFHGGJFSA-N 2 1 351.451 0.787 10 0 FCAEMP CCN1CC[C@@H]([N@@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001277493626 861902084 /nfs/dbraw/zinc/90/20/84/861902084.db2.gz AFEFDXNGKNISFA-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCN1CC[C@@H]([NH+](C)CCOCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001277493626 861902101 /nfs/dbraw/zinc/90/21/01/861902101.db2.gz AFEFDXNGKNISFA-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CCN1CC[C@@H]([NH+](C)CCOCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001277493626 861902118 /nfs/dbraw/zinc/90/21/18/861902118.db2.gz AFEFDXNGKNISFA-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001136761163 849240320 /nfs/dbraw/zinc/24/03/20/849240320.db2.gz DFTJOAQKRWKTQE-CQSZACIVSA-N 2 1 371.576 0.701 10 0 FCAEMP CN1CC[NH+](CC2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001144164500 849511709 /nfs/dbraw/zinc/51/17/09/849511709.db2.gz IMSYZYVMLIGCLI-QZTJIDSGSA-N 2 1 352.523 0.318 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NCc3cnon3)CC2)CC[N@H+]1C ZINC001279431244 862883633 /nfs/dbraw/zinc/88/36/33/862883633.db2.gz HZRBDZWKYXINCY-CZUORRHYSA-N 2 1 350.467 0.080 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3cnon3)CC2)CC[N@@H+]1C ZINC001279431244 862883653 /nfs/dbraw/zinc/88/36/53/862883653.db2.gz HZRBDZWKYXINCY-CZUORRHYSA-N 2 1 350.467 0.080 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]Cc3cnon3)CC2)CC[N@H+]1C ZINC001279431244 862883668 /nfs/dbraw/zinc/88/36/68/862883668.db2.gz HZRBDZWKYXINCY-CZUORRHYSA-N 2 1 350.467 0.080 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001261377735 858533336 /nfs/dbraw/zinc/53/33/36/858533336.db2.gz DCOVHMNCJXVYLI-HOTGVXAUSA-N 2 1 350.438 0.755 10 0 FCAEMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001261377735 858533337 /nfs/dbraw/zinc/53/33/37/858533337.db2.gz DCOVHMNCJXVYLI-HOTGVXAUSA-N 2 1 350.438 0.755 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001263782266 859212207 /nfs/dbraw/zinc/21/22/07/859212207.db2.gz BUCNUHNSTODRRB-KBAYOESNSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001263782266 859212217 /nfs/dbraw/zinc/21/22/17/859212217.db2.gz BUCNUHNSTODRRB-KBAYOESNSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001263782266 859212222 /nfs/dbraw/zinc/21/22/22/859212222.db2.gz BUCNUHNSTODRRB-KBAYOESNSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001263782266 859212231 /nfs/dbraw/zinc/21/22/31/859212231.db2.gz BUCNUHNSTODRRB-KBAYOESNSA-N 2 1 351.539 0.994 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001263782266 859212240 /nfs/dbraw/zinc/21/22/40/859212240.db2.gz BUCNUHNSTODRRB-KBAYOESNSA-N 2 1 351.539 0.994 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001263933367 859248951 /nfs/dbraw/zinc/24/89/51/859248951.db2.gz VZNWYXICOMJAPF-XHSDSOJGSA-N 2 1 359.536 0.780 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001264054425 859291890 /nfs/dbraw/zinc/29/18/90/859291890.db2.gz MZFDEOLMKGJRGL-JKSUJKDBSA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001264054425 859291881 /nfs/dbraw/zinc/29/18/81/859291881.db2.gz MZFDEOLMKGJRGL-JKSUJKDBSA-N 2 1 350.507 0.966 10 0 FCAEMP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650556 859415534 /nfs/dbraw/zinc/41/55/34/859415534.db2.gz WKQNNWGJZZHXES-IECFSIQFSA-N 2 1 353.507 0.504 10 0 FCAEMP COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650556 859415541 /nfs/dbraw/zinc/41/55/41/859415541.db2.gz WKQNNWGJZZHXES-IECFSIQFSA-N 2 1 353.507 0.504 10 0 FCAEMP COC[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001264650556 859415544 /nfs/dbraw/zinc/41/55/44/859415544.db2.gz WKQNNWGJZZHXES-IECFSIQFSA-N 2 1 353.507 0.504 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC001264723742 859440819 /nfs/dbraw/zinc/44/08/19/859440819.db2.gz UFQGVQGONGKFMK-QLFBSQMISA-N 2 1 361.433 0.712 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC001264723742 859440825 /nfs/dbraw/zinc/44/08/25/859440825.db2.gz UFQGVQGONGKFMK-QLFBSQMISA-N 2 1 361.433 0.712 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001265540465 859462366 /nfs/dbraw/zinc/46/23/66/859462366.db2.gz RODLALRVJNVORD-FVCCEPFGSA-N 2 1 351.476 0.659 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001266455419 859481478 /nfs/dbraw/zinc/48/14/78/859481478.db2.gz DOKVANBYKJNDFC-OWCLPIDISA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001266455419 859481484 /nfs/dbraw/zinc/48/14/84/859481484.db2.gz DOKVANBYKJNDFC-OWCLPIDISA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001266455419 859481491 /nfs/dbraw/zinc/48/14/91/859481491.db2.gz DOKVANBYKJNDFC-OWCLPIDISA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001266455419 859481493 /nfs/dbraw/zinc/48/14/93/859481493.db2.gz DOKVANBYKJNDFC-OWCLPIDISA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001266455418 859481791 /nfs/dbraw/zinc/48/17/91/859481791.db2.gz DOKVANBYKJNDFC-BZUAXINKSA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001266455418 859481797 /nfs/dbraw/zinc/48/17/97/859481797.db2.gz DOKVANBYKJNDFC-BZUAXINKSA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001266455418 859481803 /nfs/dbraw/zinc/48/18/03/859481803.db2.gz DOKVANBYKJNDFC-BZUAXINKSA-N 2 1 359.536 0.542 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001266455418 859481810 /nfs/dbraw/zinc/48/18/10/859481810.db2.gz DOKVANBYKJNDFC-BZUAXINKSA-N 2 1 359.536 0.542 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001266939128 859493555 /nfs/dbraw/zinc/49/35/55/859493555.db2.gz ANCMHRHGIITGFP-GRYCIOLGSA-N 2 1 352.401 0.490 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267129428 859497460 /nfs/dbraw/zinc/49/74/60/859497460.db2.gz PFCSMXPWVLUSCW-MELADBBJSA-N 2 1 355.483 0.047 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001267653766 859513188 /nfs/dbraw/zinc/51/31/88/859513188.db2.gz YPGSDNYGVBUUMV-IXDOHACOSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001267653766 859513197 /nfs/dbraw/zinc/51/31/97/859513197.db2.gz YPGSDNYGVBUUMV-IXDOHACOSA-N 2 1 352.523 0.975 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)N(C)CC)C2)CC[NH+]1C ZINC001267653766 859513199 /nfs/dbraw/zinc/51/31/99/859513199.db2.gz YPGSDNYGVBUUMV-IXDOHACOSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001267985245 859519792 /nfs/dbraw/zinc/51/97/92/859519792.db2.gz CZISSDOWOAXFTG-RRFJBIMHSA-N 2 1 355.527 0.766 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](C[C@H](O)COC)C3)CC2)CC[N@H+]1C ZINC001268043840 859522028 /nfs/dbraw/zinc/52/20/28/859522028.db2.gz RFBGNISSBYQNEI-YESZJQIVSA-N 2 1 353.507 0.648 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001268543031 859535190 /nfs/dbraw/zinc/53/51/90/859535190.db2.gz UHYSUKPPXOPCCF-OPVGQWETSA-N 2 1 352.464 0.079 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001268543031 859535194 /nfs/dbraw/zinc/53/51/94/859535194.db2.gz UHYSUKPPXOPCCF-OPVGQWETSA-N 2 1 352.464 0.079 10 0 FCAEMP C[C@H](CC[NH2+]CC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272782283 860256839 /nfs/dbraw/zinc/25/68/39/860256839.db2.gz MSQAIMVNEYZUPB-IIAWOOMASA-N 2 1 350.463 0.720 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCc3ccns3)C2)CC[N@H+]1C ZINC001273875233 860624897 /nfs/dbraw/zinc/62/48/97/860624897.db2.gz DNUUOGHZQOHMAF-QGPMSJSTSA-N 2 1 366.531 0.969 10 0 FCAEMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001274034294 860663843 /nfs/dbraw/zinc/66/38/43/860663843.db2.gz CNHWEGHFMBQZRF-YVAWVJMJSA-N 2 1 364.412 0.656 10 0 FCAEMP Cc1nnc(NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001274034302 860663895 /nfs/dbraw/zinc/66/38/95/860663895.db2.gz CUSIMOKKZZOWFJ-WPCUQIPDSA-N 2 1 366.491 0.387 10 0 FCAEMP Cc1nnc(NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001274034302 860663897 /nfs/dbraw/zinc/66/38/97/860663897.db2.gz CUSIMOKKZZOWFJ-WPCUQIPDSA-N 2 1 366.491 0.387 10 0 FCAEMP C[C@@H](O)CN1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281788908 863745064 /nfs/dbraw/zinc/74/50/64/863745064.db2.gz QXSNTQQIDQQKDM-KZNAEPCWSA-N 2 1 354.539 0.612 10 0 FCAEMP C[C@@H](O)C[NH+]1CCN(CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281788908 863745072 /nfs/dbraw/zinc/74/50/72/863745072.db2.gz QXSNTQQIDQQKDM-KZNAEPCWSA-N 2 1 354.539 0.612 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001282442384 864261829 /nfs/dbraw/zinc/26/18/29/864261829.db2.gz YIAQZBNWQMPECX-FCEWJHQRSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001282442384 864261840 /nfs/dbraw/zinc/26/18/40/864261840.db2.gz YIAQZBNWQMPECX-FCEWJHQRSA-N 2 1 350.507 0.587 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001282442384 864261852 /nfs/dbraw/zinc/26/18/52/864261852.db2.gz YIAQZBNWQMPECX-FCEWJHQRSA-N 2 1 350.507 0.587 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)C1 ZINC001282513886 864316198 /nfs/dbraw/zinc/31/61/98/864316198.db2.gz BHYMDGKNZYBNRO-GVDBMIGSSA-N 2 1 350.507 0.635 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCOCCO)C3)CC[N@H+]1C ZINC001282965161 864480438 /nfs/dbraw/zinc/48/04/38/864480438.db2.gz PHKCPPQKQYZFRW-DLBZAZTESA-N 2 1 353.507 0.650 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CCOCCO)C3)CC[NH+]1C ZINC001282965161 864480444 /nfs/dbraw/zinc/48/04/44/864480444.db2.gz PHKCPPQKQYZFRW-DLBZAZTESA-N 2 1 353.507 0.650 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CCOCCO)C3)CC[NH+]1C ZINC001282965161 864480451 /nfs/dbraw/zinc/48/04/51/864480451.db2.gz PHKCPPQKQYZFRW-DLBZAZTESA-N 2 1 353.507 0.650 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cc(CO)ccc2F)CC[N@H+]1C ZINC001283759632 864517511 /nfs/dbraw/zinc/51/75/11/864517511.db2.gz IJKZCNKYBIXAKA-UHOFOFEASA-N 2 1 353.438 0.225 10 0 FCAEMP CCc1nocc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001284492808 864568463 /nfs/dbraw/zinc/56/84/63/864568463.db2.gz NBYWJWHITUMPIS-FVQBIDKESA-N 2 1 352.479 0.828 10 0 FCAEMP CCc1nocc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001284492808 864568476 /nfs/dbraw/zinc/56/84/76/864568476.db2.gz NBYWJWHITUMPIS-FVQBIDKESA-N 2 1 352.479 0.828 10 0 FCAEMP CCc1nocc1C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284492808 864568481 /nfs/dbraw/zinc/56/84/81/864568481.db2.gz NBYWJWHITUMPIS-FVQBIDKESA-N 2 1 352.479 0.828 10 0 FCAEMP CCc1nocc1C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284492808 864568494 /nfs/dbraw/zinc/56/84/94/864568494.db2.gz NBYWJWHITUMPIS-FVQBIDKESA-N 2 1 352.479 0.828 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](CCOCCO)CC3)CC2)CC[N@H+]1C ZINC001284843741 864598647 /nfs/dbraw/zinc/59/86/47/864598647.db2.gz VBEUMDLGKPBLMK-NVXWUHKLSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC[N@H+]1C ZINC001288957430 864825786 /nfs/dbraw/zinc/82/57/86/864825786.db2.gz SKVSSXLWAPUTBU-MWDXBVQZSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001288979309 864836722 /nfs/dbraw/zinc/83/67/22/864836722.db2.gz QZGIYNRUTONXSW-YESZJQIVSA-N 2 1 350.507 0.729 10 0 FCAEMP 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ZHLDZRYORAYKBG-HNNXBMFYSA-N 2 1 350.438 0.767 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000193420127 209313221 /nfs/dbraw/zinc/31/32/21/209313221.db2.gz HSQQWUHECJHSQI-UHFFFAOYSA-N 2 1 351.495 0.420 10 0 FCAEMP C[C@@H]1OCC[C@H]1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276065936 212151255 /nfs/dbraw/zinc/15/12/55/212151255.db2.gz QMYHRNXYWNATDK-DOTOQJQBSA-N 2 1 368.503 0.691 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000375136262 217222571 /nfs/dbraw/zinc/22/25/71/217222571.db2.gz UAELADHXWCZEMX-UHFFFAOYSA-N 2 1 351.495 0.467 10 0 FCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)cn1 ZINC000181371241 209113273 /nfs/dbraw/zinc/11/32/73/209113273.db2.gz ORGSMFUIFMFIBQ-QGZVFWFLSA-N 2 1 361.490 0.928 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419084219 245973860 /nfs/dbraw/zinc/97/38/60/245973860.db2.gz LDYWKZZJWWKZRK-KBPBESRZSA-N 2 1 354.495 0.201 10 0 FCAEMP 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CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1CCOC ZINC000423528593 247041991 /nfs/dbraw/zinc/04/19/91/247041991.db2.gz ORGLYAWGDPLVCA-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1CCOC ZINC000423528593 247041997 /nfs/dbraw/zinc/04/19/97/247041997.db2.gz ORGLYAWGDPLVCA-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000423693177 247114777 /nfs/dbraw/zinc/11/47/77/247114777.db2.gz DVIQWIUIEZGJAP-DOTOQJQBSA-N 2 1 374.485 0.578 10 0 FCAEMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000423666253 247101409 /nfs/dbraw/zinc/10/14/09/247101409.db2.gz JVQAJQZUGGALJP-DLBZAZTESA-N 2 1 359.474 0.497 10 0 FCAEMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543423 247257700 /nfs/dbraw/zinc/25/77/00/247257700.db2.gz JRSDTCRJRSPRTC-GDAAHCPNSA-N 2 1 370.497 0.834 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452376167 249313720 /nfs/dbraw/zinc/31/37/20/249313720.db2.gz NTZUKRUXNRVZEA-HXUWFJFHSA-N 2 1 374.529 0.767 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452376167 249313723 /nfs/dbraw/zinc/31/37/23/249313723.db2.gz NTZUKRUXNRVZEA-HXUWFJFHSA-N 2 1 374.529 0.767 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452387992 249317323 /nfs/dbraw/zinc/31/73/23/249317323.db2.gz ISWQYWRFTQYBBY-OALUTQOASA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000452387992 249317326 /nfs/dbraw/zinc/31/73/26/249317326.db2.gz ISWQYWRFTQYBBY-OALUTQOASA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000452387992 249317330 /nfs/dbraw/zinc/31/73/30/249317330.db2.gz ISWQYWRFTQYBBY-OALUTQOASA-N 2 1 361.486 0.850 10 0 FCAEMP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000452387992 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358.486 0.761 10 0 FCAEMP C[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000473741827 250249714 /nfs/dbraw/zinc/24/97/14/250249714.db2.gz SEXIKKPGNLJVKB-HNNXBMFYSA-N 2 1 355.527 0.768 10 0 FCAEMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473950810 250258913 /nfs/dbraw/zinc/25/89/13/250258913.db2.gz ZFGHWVHUQYAHSD-DLBZAZTESA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473950810 250258916 /nfs/dbraw/zinc/25/89/16/250258916.db2.gz ZFGHWVHUQYAHSD-DLBZAZTESA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473950811 250260078 /nfs/dbraw/zinc/26/00/78/250260078.db2.gz ZFGHWVHUQYAHSD-IAGOWNOFSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473950811 250260083 /nfs/dbraw/zinc/26/00/83/250260083.db2.gz ZFGHWVHUQYAHSD-IAGOWNOFSA-N 2 1 367.538 0.912 10 0 FCAEMP 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ZINC000247313532 488484383 /nfs/dbraw/zinc/48/43/83/488484383.db2.gz OEFAXFLQFWMYDZ-WBVHZDCISA-N 2 1 365.522 0.855 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247313532 488484385 /nfs/dbraw/zinc/48/43/85/488484385.db2.gz OEFAXFLQFWMYDZ-WBVHZDCISA-N 2 1 365.522 0.855 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)C1 ZINC000249399895 488509639 /nfs/dbraw/zinc/50/96/39/488509639.db2.gz UUIXMKSPXODKCM-OAGGEKHMSA-N 2 1 354.495 0.093 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000111865675 488532169 /nfs/dbraw/zinc/53/21/69/488532169.db2.gz UEVWJETXWUTJGS-INIZCTEOSA-N 2 1 364.494 0.358 10 0 FCAEMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858755 488539195 /nfs/dbraw/zinc/53/91/95/488539195.db2.gz WGGZPGRHLCSAOQ-DDBAPUKQSA-N 2 1 358.486 0.773 10 0 FCAEMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858755 488539198 /nfs/dbraw/zinc/53/91/98/488539198.db2.gz WGGZPGRHLCSAOQ-DDBAPUKQSA-N 2 1 358.486 0.773 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262018832 488546357 /nfs/dbraw/zinc/54/63/57/488546357.db2.gz RMDZBUDEBPLLRT-RDJZCZTQSA-N 2 1 374.485 0.578 10 0 FCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000262171399 488555196 /nfs/dbraw/zinc/55/51/96/488555196.db2.gz VDAYSDVACXSEJX-NVXWUHKLSA-N 2 1 369.893 0.721 10 0 FCAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272123663 488563569 /nfs/dbraw/zinc/56/35/69/488563569.db2.gz SUROVFZWBHAVAX-ZIAGYGMSSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272123663 488563571 /nfs/dbraw/zinc/56/35/71/488563571.db2.gz SUROVFZWBHAVAX-ZIAGYGMSSA-N 2 1 362.478 0.096 10 0 FCAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272123663 488563574 /nfs/dbraw/zinc/56/35/74/488563574.db2.gz 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CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)C)CC1=O ZINC000464921724 490073101 /nfs/dbraw/zinc/07/31/01/490073101.db2.gz OHQNEZDUWIECQH-ZACQAIPSSA-N 2 1 350.507 0.872 10 0 FCAEMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000390907535 490140181 /nfs/dbraw/zinc/14/01/81/490140181.db2.gz VEBWCQJKEPDEFL-AYHJJNSGSA-N 2 1 356.470 0.730 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465869879 490148506 /nfs/dbraw/zinc/14/85/06/490148506.db2.gz FTKJQSWURUNLCR-DLBZAZTESA-N 2 1 356.511 0.849 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422129891 490179428 /nfs/dbraw/zinc/17/94/28/490179428.db2.gz KJKUGKNWPZXYPI-ROUUACIJSA-N 2 1 360.502 0.828 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C[NH+]1CCCC1 ZINC000556347896 491310369 /nfs/dbraw/zinc/31/03/69/491310369.db2.gz GZAHOEKBTHPXSD-XYTVBORESA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)CC[N@H+]1C ZINC000408108613 490250321 /nfs/dbraw/zinc/25/03/21/490250321.db2.gz SOGHFAQHVRHPCW-ZSNVMCELSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000408108613 490250326 /nfs/dbraw/zinc/25/03/26/490250326.db2.gz SOGHFAQHVRHPCW-ZSNVMCELSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC[NH+]1C ZINC000408108613 490250332 /nfs/dbraw/zinc/25/03/32/490250332.db2.gz SOGHFAQHVRHPCW-ZSNVMCELSA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521412125 490258479 /nfs/dbraw/zinc/25/84/79/490258479.db2.gz BLAOQPDVRJHZPX-WBVHZDCISA-N 2 1 365.522 0.570 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000507937515 490279730 /nfs/dbraw/zinc/27/97/30/490279730.db2.gz IJBYRHYOGJXVNP-XYTVBORESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000507937515 490279732 /nfs/dbraw/zinc/27/97/32/490279732.db2.gz IJBYRHYOGJXVNP-XYTVBORESA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000507937515 490279735 /nfs/dbraw/zinc/27/97/35/490279735.db2.gz IJBYRHYOGJXVNP-XYTVBORESA-N 2 1 350.507 0.918 10 0 FCAEMP COC(=O)Cn1cc(CC[NH+]2CCN(c3cc[nH+]cc3OC)CC2)nn1 ZINC000483210224 490293299 /nfs/dbraw/zinc/29/32/99/490293299.db2.gz LQZWCJMCAPLZNX-UHFFFAOYSA-N 2 1 360.418 0.219 10 0 FCAEMP COc1c[nH+]ccc1N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000483222032 490294344 /nfs/dbraw/zinc/29/43/44/490294344.db2.gz SLIVOSYUQJILJK-UHFFFAOYSA-N 2 1 361.446 0.933 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000534524589 490375361 /nfs/dbraw/zinc/37/53/61/490375361.db2.gz QPFLYXZZBAEOCL-UHFFFAOYSA-N 2 1 362.478 0.205 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000523703148 490488059 /nfs/dbraw/zinc/48/80/59/490488059.db2.gz FJKVQMZPIBCKKI-HXUWFJFHSA-N 2 1 373.545 0.681 10 0 FCAEMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422963937 490507031 /nfs/dbraw/zinc/50/70/31/490507031.db2.gz HKAHTANSDSDPGV-UHFFFAOYSA-N 2 1 356.470 0.515 10 0 FCAEMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422963937 490507035 /nfs/dbraw/zinc/50/70/35/490507035.db2.gz HKAHTANSDSDPGV-UHFFFAOYSA-N 2 1 356.470 0.515 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423059109 490531801 /nfs/dbraw/zinc/53/18/01/490531801.db2.gz LEHKWMCISHUJRG-SFHVURJKSA-N 2 1 358.486 0.930 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229669 490562912 /nfs/dbraw/zinc/56/29/12/490562912.db2.gz XPCWMLPPWMZILD-OAGGEKHMSA-N 2 1 355.527 0.861 10 0 FCAEMP CC(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCC[NH+](C)C ZINC000536229673 490562972 /nfs/dbraw/zinc/56/29/72/490562972.db2.gz XPCWMLPPWMZILD-XHSDSOJGSA-N 2 1 355.527 0.861 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000526977752 490690227 /nfs/dbraw/zinc/69/02/27/490690227.db2.gz ZFCCQEHGMMOPAE-OAHLLOKOSA-N 2 1 363.462 0.643 10 0 FCAEMP O=C(C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000528635360 490816950 /nfs/dbraw/zinc/81/69/50/490816950.db2.gz ACNJRKLGPZDDPC-GOSISDBHSA-N 2 1 365.518 0.983 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000515386400 490823543 /nfs/dbraw/zinc/82/35/43/490823543.db2.gz MBWLNBBWVLZBNN-MHORFTMASA-N 2 1 352.523 0.519 10 0 FCAEMP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)C2)C1 ZINC000516273683 490859027 /nfs/dbraw/zinc/85/90/27/490859027.db2.gz OKGYZBPRMZAHHX-LPHOPBHVSA-N 2 1 357.458 0.109 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)C2)C1 ZINC000516273683 490859030 /nfs/dbraw/zinc/85/90/30/490859030.db2.gz OKGYZBPRMZAHHX-LPHOPBHVSA-N 2 1 357.458 0.109 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000516659257 490873433 /nfs/dbraw/zinc/87/34/33/490873433.db2.gz AUCKANGGTWFHTK-SJORKVTESA-N 2 1 369.554 0.221 10 0 FCAEMP Cc1cc(N2CC[C@@H]([NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000530239683 490895217 /nfs/dbraw/zinc/89/52/17/490895217.db2.gz GZQIMEBRKJWXGV-IAGOWNOFSA-N 2 1 361.490 0.924 10 0 FCAEMP CCCCNC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000517370533 490906066 /nfs/dbraw/zinc/90/60/66/490906066.db2.gz HXYQRCWNXGXWNZ-GJZGRUSLSA-N 2 1 352.479 0.304 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCn1ccnn1 ZINC000544335014 490965808 /nfs/dbraw/zinc/96/58/08/490965808.db2.gz BLDYUQGVDDXYMP-MRXNPFEDSA-N 2 1 351.499 0.726 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000519716245 490986552 /nfs/dbraw/zinc/98/65/52/490986552.db2.gz SVGORFLIZVBORR-HZPDHXFCSA-N 2 1 363.510 0.206 10 0 FCAEMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000572499297 491374229 /nfs/dbraw/zinc/37/42/29/491374229.db2.gz OWVGHTYUXXJNAE-KSZLIROESA-N 2 1 363.481 0.898 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000557493906 491378221 /nfs/dbraw/zinc/37/82/21/491378221.db2.gz SSDUABWZWKHFMJ-KRWDZBQOSA-N 2 1 366.506 0.300 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000557492457 491378319 /nfs/dbraw/zinc/37/83/19/491378319.db2.gz CJMHJHNGMFEJPD-CVEARBPZSA-N 2 1 354.495 0.204 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000557492457 491378320 /nfs/dbraw/zinc/37/83/20/491378320.db2.gz CJMHJHNGMFEJPD-CVEARBPZSA-N 2 1 354.495 0.204 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000557492457 491378322 /nfs/dbraw/zinc/37/83/22/491378322.db2.gz CJMHJHNGMFEJPD-CVEARBPZSA-N 2 1 354.495 0.204 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000668356649 493339585 /nfs/dbraw/zinc/33/95/85/493339585.db2.gz UKOZSOWIUYSORC-HUUCEWRRSA-N 2 1 350.463 0.941 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000668356649 493339588 /nfs/dbraw/zinc/33/95/88/493339588.db2.gz UKOZSOWIUYSORC-HUUCEWRRSA-N 2 1 350.463 0.941 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000558104851 491414413 /nfs/dbraw/zinc/41/44/13/491414413.db2.gz BTOHOZPXTHZWLN-UHFFFAOYSA-N 2 1 350.507 0.921 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000668372531 493342526 /nfs/dbraw/zinc/34/25/26/493342526.db2.gz KNJOOCBDXJYFCD-MSOLQXFVSA-N 2 1 358.486 0.930 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000668372531 493342529 /nfs/dbraw/zinc/34/25/29/493342529.db2.gz KNJOOCBDXJYFCD-MSOLQXFVSA-N 2 1 358.486 0.930 10 0 FCAEMP CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000668372531 493342531 /nfs/dbraw/zinc/34/25/31/493342531.db2.gz KNJOOCBDXJYFCD-MSOLQXFVSA-N 2 1 358.486 0.930 10 0 FCAEMP CC[NH+](CC)CCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000566648285 491458455 /nfs/dbraw/zinc/45/84/55/491458455.db2.gz ODSRSJSMBUUCPE-SFHVURJKSA-N 2 1 369.531 0.885 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566679386 491460262 /nfs/dbraw/zinc/46/02/62/491460262.db2.gz UCWRTBAOEXGHDM-SJLPKXTDSA-N 2 1 374.485 0.298 10 0 FCAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000574343782 491490972 /nfs/dbraw/zinc/49/09/72/491490972.db2.gz TZDUYUGXMMKBSF-KRWDZBQOSA-N 2 1 368.522 0.405 10 0 FCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000559759421 491496524 /nfs/dbraw/zinc/49/65/24/491496524.db2.gz IGKJXBHZUKSQSH-XYTVBORESA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000559759421 491496525 /nfs/dbraw/zinc/49/65/25/491496525.db2.gz IGKJXBHZUKSQSH-XYTVBORESA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000559759421 491496526 /nfs/dbraw/zinc/49/65/26/491496526.db2.gz IGKJXBHZUKSQSH-XYTVBORESA-N 2 1 350.507 0.966 10 0 FCAEMP [NH3+]CCCn1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000567750061 491526813 /nfs/dbraw/zinc/52/68/13/491526813.db2.gz GKSUHWZANIHLQQ-UHFFFAOYSA-N 2 1 358.446 0.389 10 0 FCAEMP O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000574909459 491527050 /nfs/dbraw/zinc/52/70/50/491527050.db2.gz ZLTWMWGKZKTSNW-CQSZACIVSA-N 2 1 359.430 0.687 10 0 FCAEMP O=C1CNC(=O)N1CCN1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000574909459 491527052 /nfs/dbraw/zinc/52/70/52/491527052.db2.gz ZLTWMWGKZKTSNW-CQSZACIVSA-N 2 1 359.430 0.687 10 0 FCAEMP CC[N@@H+]1CC[C@H]2OCCN(Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000560589888 491546146 /nfs/dbraw/zinc/54/61/46/491546146.db2.gz OZAVBGJCEGWXAC-ZWKOTPCHSA-N 2 1 360.506 0.523 10 0 FCAEMP CC[N@H+]1CC[C@H]2OCCN(Cc3cnc(N4CC[NH+](C)CC4)nc3)[C@H]2C1 ZINC000560589888 491546147 /nfs/dbraw/zinc/54/61/47/491546147.db2.gz OZAVBGJCEGWXAC-ZWKOTPCHSA-N 2 1 360.506 0.523 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000568095287 491552895 /nfs/dbraw/zinc/55/28/95/491552895.db2.gz ZOYVHAWRGHABKM-MRXNPFEDSA-N 2 1 368.522 0.450 10 0 FCAEMP CN1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000561148298 491578638 /nfs/dbraw/zinc/57/86/38/491578638.db2.gz PBBDMOBLLFSFPA-GOSISDBHSA-N 2 1 361.490 0.303 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000561453332 491610207 /nfs/dbraw/zinc/61/02/07/491610207.db2.gz GTGRUQBFYOZATD-BZSNNMDCSA-N 2 1 374.485 0.385 10 0 FCAEMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000561453332 491610209 /nfs/dbraw/zinc/61/02/09/491610209.db2.gz GTGRUQBFYOZATD-BZSNNMDCSA-N 2 1 374.485 0.385 10 0 FCAEMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000561453332 491610213 /nfs/dbraw/zinc/61/02/13/491610213.db2.gz GTGRUQBFYOZATD-BZSNNMDCSA-N 2 1 374.485 0.385 10 0 FCAEMP CCc1cnc(N2CCN(CCC(=O)N3CCN(C)CC3)CC2)s1 ZINC000568903541 491618631 /nfs/dbraw/zinc/61/86/31/491618631.db2.gz SCHJVUVVJGORRZ-UHFFFAOYSA-N 2 1 351.520 0.992 10 0 FCAEMP Cn1c(=O)n2c(c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CCCC2 ZINC000568949595 491621644 /nfs/dbraw/zinc/62/16/44/491621644.db2.gz KGWBWCWRXCIZAE-UHFFFAOYSA-N 2 1 370.457 0.922 10 0 FCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000576516518 491621742 /nfs/dbraw/zinc/62/17/42/491621742.db2.gz DZTRAJKLLLDOSV-FYNRORONSA-N 2 1 364.534 0.852 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000561879437 491636899 /nfs/dbraw/zinc/63/68/99/491636899.db2.gz IVYYGXQBRHWLTK-QGZVFWFLSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1=O ZINC000578774507 491684065 /nfs/dbraw/zinc/68/40/65/491684065.db2.gz BRRDJSBKLJTLEB-MJBXVCDLSA-N 2 1 358.433 0.433 10 0 FCAEMP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000579572589 491700659 /nfs/dbraw/zinc/70/06/59/491700659.db2.gz DDNGHFZRMFJBNU-VEMSKXMJSA-N 2 1 362.518 0.855 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579812103 491705696 /nfs/dbraw/zinc/70/56/96/491705696.db2.gz QNANVALMTQKENN-QFBILLFUSA-N 2 1 365.522 0.714 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579812101 491705705 /nfs/dbraw/zinc/70/57/05/491705705.db2.gz QNANVALMTQKENN-APWZRJJASA-N 2 1 365.522 0.714 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H]1Cc1ccccc1 ZINC000579942223 491710073 /nfs/dbraw/zinc/71/00/73/491710073.db2.gz NAVNOYZSVIWGGP-GOSISDBHSA-N 2 1 370.497 0.726 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H]1Cc1ccccc1 ZINC000579942223 491710075 /nfs/dbraw/zinc/71/00/75/491710075.db2.gz NAVNOYZSVIWGGP-GOSISDBHSA-N 2 1 370.497 0.726 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000580079904 491716536 /nfs/dbraw/zinc/71/65/36/491716536.db2.gz 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ZINC000655552376 492456037 /nfs/dbraw/zinc/45/60/37/492456037.db2.gz XIURTFWXEOQLQR-SJLPKXTDSA-N 2 1 367.538 0.301 10 0 FCAEMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3CCCC[N@H+]3CCO)C2)CC1 ZINC000655552376 492456041 /nfs/dbraw/zinc/45/60/41/492456041.db2.gz XIURTFWXEOQLQR-SJLPKXTDSA-N 2 1 367.538 0.301 10 0 FCAEMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000643483977 492478024 /nfs/dbraw/zinc/47/80/24/492478024.db2.gz XGZUYRXYKRFNQM-RYQLBKOJSA-N 2 1 374.485 0.294 10 0 FCAEMP CN(C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000643511071 492485737 /nfs/dbraw/zinc/48/57/37/492485737.db2.gz XWUIGEHAUQILIW-BQFCYCMXSA-N 2 1 362.518 0.920 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915024 492487387 /nfs/dbraw/zinc/48/73/87/492487387.db2.gz KSUYIKHVLMXGCM-MNOVXSKESA-N 2 1 353.389 0.118 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655919350 492488548 /nfs/dbraw/zinc/48/85/48/492488548.db2.gz PVMQUASUMFWWEO-CHWSQXEVSA-N 3 1 353.433 0.934 10 0 FCAEMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000649076899 492491971 /nfs/dbraw/zinc/49/19/71/492491971.db2.gz GICPPZVPRPIKKR-FUHWJXTLSA-N 2 1 373.501 0.872 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655969877 492499538 /nfs/dbraw/zinc/49/95/38/492499538.db2.gz BPWXDQHLCMHWNJ-HRCADAONSA-N 2 1 356.511 0.894 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655969877 492499544 /nfs/dbraw/zinc/49/95/44/492499544.db2.gz BPWXDQHLCMHWNJ-HRCADAONSA-N 2 1 356.511 0.894 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656029399 492522183 /nfs/dbraw/zinc/52/21/83/492522183.db2.gz ZHPMBZROYNMWTE-IAGOWNOFSA-N 2 1 366.506 0.347 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000656065630 492528090 /nfs/dbraw/zinc/52/80/90/492528090.db2.gz HSHBIHJCLWEUGT-IYBDPMFKSA-N 2 1 359.474 0.495 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656086095 492546786 /nfs/dbraw/zinc/54/67/86/492546786.db2.gz QKODSKILMXRUEO-LVQVYYBASA-N 2 1 354.495 0.153 10 0 FCAEMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000656286156 492570252 /nfs/dbraw/zinc/57/02/52/492570252.db2.gz LHYSCEZSNCINMF-OKZBNKHCSA-N 2 1 358.486 0.834 10 0 FCAEMP Cc1cc(NCCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)nc(C(C)C)n1 ZINC000623600729 492572312 /nfs/dbraw/zinc/57/23/12/492572312.db2.gz ZPJZWTCVWIBGQM-HNNXBMFYSA-N 2 1 363.510 0.865 10 0 FCAEMP Cc1cc(NCCNC(=O)NC[C@H]2CN(C)CCN2C)nc(C(C)C)n1 ZINC000623600729 492572314 /nfs/dbraw/zinc/57/23/14/492572314.db2.gz ZPJZWTCVWIBGQM-HNNXBMFYSA-N 2 1 363.510 0.865 10 0 FCAEMP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656296787 492575194 /nfs/dbraw/zinc/57/51/94/492575194.db2.gz OGSWQTOGHGRTFP-IAGOWNOFSA-N 2 1 366.506 0.348 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC([C@H](C)CO)CC2)C1 ZINC000649804798 492584600 /nfs/dbraw/zinc/58/46/00/492584600.db2.gz INQRQQZQPVWDMG-AEFFLSMTSA-N 2 1 355.523 0.800 10 0 FCAEMP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624082110 492619072 /nfs/dbraw/zinc/61/90/72/492619072.db2.gz MHHNCSJWBICUJL-MJGOQNOKSA-N 2 1 353.507 0.445 10 0 FCAEMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624082109 492619615 /nfs/dbraw/zinc/61/96/15/492619615.db2.gz MHHNCSJWBICUJL-IEBWSBKVSA-N 2 1 353.507 0.445 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650730861 492664838 /nfs/dbraw/zinc/66/48/38/492664838.db2.gz JLMVJWACMREFBJ-CVEARBPZSA-N 2 1 353.511 0.522 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCOC1 ZINC000651281575 492734361 /nfs/dbraw/zinc/73/43/61/492734361.db2.gz ZFWJOWLVBKNMHM-FUHWJXTLSA-N 2 1 356.511 0.585 10 0 FCAEMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000657579836 492762936 /nfs/dbraw/zinc/76/29/36/492762936.db2.gz XZQQYRYTXHQEQZ-KSZLIROESA-N 2 1 363.506 0.884 10 0 FCAEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631063329 492795852 /nfs/dbraw/zinc/79/58/52/492795852.db2.gz CBVITGAFJDMNNN-QGZVFWFLSA-N 2 1 350.511 0.678 10 0 FCAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000625552301 492818477 /nfs/dbraw/zinc/81/84/77/492818477.db2.gz NOVLHNVABDGHFW-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000625552301 492818480 /nfs/dbraw/zinc/81/84/80/492818480.db2.gz NOVLHNVABDGHFW-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000625552301 492818483 /nfs/dbraw/zinc/81/84/83/492818483.db2.gz NOVLHNVABDGHFW-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000631873270 492867470 /nfs/dbraw/zinc/86/74/70/492867470.db2.gz NVRYMZDZBCGTLV-PMACEKPBSA-N 2 1 355.486 0.568 10 0 FCAEMP [NH3+]C1(CC(=O)NCCN2C(=O)CCC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000637998362 492890069 /nfs/dbraw/zinc/89/00/69/492890069.db2.gz FBOOVXIGIWZVSV-UHFFFAOYSA-N 2 1 372.469 0.635 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000652225231 492896214 /nfs/dbraw/zinc/89/62/14/492896214.db2.gz TYQBDGAUCRPDSJ-KRWDZBQOSA-N 2 1 367.538 0.818 10 0 FCAEMP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000652340857 492912108 /nfs/dbraw/zinc/91/21/08/492912108.db2.gz JQWRAJYDNOUJKA-QGZVFWFLSA-N 2 1 364.515 0.607 10 0 FCAEMP C[C@@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H]1CC[NH3+] ZINC000652354534 492914279 /nfs/dbraw/zinc/91/42/79/492914279.db2.gz BIVXLUWICFFOQM-ZIAGYGMSSA-N 2 1 362.478 0.273 10 0 FCAEMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658519916 492924794 /nfs/dbraw/zinc/92/47/94/492924794.db2.gz BOZMEOFHLYGLFQ-KRWDZBQOSA-N 2 1 368.522 0.498 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658576756 492964430 /nfs/dbraw/zinc/96/44/30/492964430.db2.gz JOEOXANYHKEKFR-INIZCTEOSA-N 2 1 368.522 0.281 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658576756 492964434 /nfs/dbraw/zinc/96/44/34/492964434.db2.gz JOEOXANYHKEKFR-INIZCTEOSA-N 2 1 368.522 0.281 10 0 FCAEMP C[NH+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658576756 492964436 /nfs/dbraw/zinc/96/44/36/492964436.db2.gz JOEOXANYHKEKFR-INIZCTEOSA-N 2 1 368.522 0.281 10 0 FCAEMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978174 492994908 /nfs/dbraw/zinc/99/49/08/492994908.db2.gz WCIRWUNJDPNZBT-CNVJLJKISA-N 2 1 364.534 0.804 10 0 FCAEMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)C2)CC1 ZINC000645978174 492994911 /nfs/dbraw/zinc/99/49/11/492994911.db2.gz WCIRWUNJDPNZBT-CNVJLJKISA-N 2 1 364.534 0.804 10 0 FCAEMP [NH3+]C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000646009526 493001243 /nfs/dbraw/zinc/00/12/43/493001243.db2.gz PJOUHMFNWCPXMO-ZWKOTPCHSA-N 2 1 364.465 0.391 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000652719541 493001808 /nfs/dbraw/zinc/00/18/08/493001808.db2.gz DOINNJAWZUGLCY-UHFFFAOYSA-N 2 1 374.485 0.345 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000652720506 493002838 /nfs/dbraw/zinc/00/28/38/493002838.db2.gz GHWUUZZKLAGXQI-ZWKOTPCHSA-N 2 1 358.486 0.965 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000626795282 493020459 /nfs/dbraw/zinc/02/04/59/493020459.db2.gz RDWZGYIBDMRWAO-JKSUJKDBSA-N 2 1 358.442 0.850 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000626800636 493020781 /nfs/dbraw/zinc/02/07/81/493020781.db2.gz WREVJXXYMKNJDO-UHFFFAOYSA-N 2 1 358.442 0.661 10 0 FCAEMP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626804340 493021694 /nfs/dbraw/zinc/02/16/94/493021694.db2.gz TUANHNQXPYXVHX-UHFFFAOYSA-N 2 1 364.471 0.272 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000626803008 493021734 /nfs/dbraw/zinc/02/17/34/493021734.db2.gz GXGMKNIXRVVCAY-MRXNPFEDSA-N 2 1 358.442 0.708 10 0 FCAEMP C[NH+](C)C1(CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000632545642 493026406 /nfs/dbraw/zinc/02/64/06/493026406.db2.gz FGVRKHUHVGHXPB-UHFFFAOYSA-N 2 1 359.536 0.891 10 0 FCAEMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658757674 493043941 /nfs/dbraw/zinc/04/39/41/493043941.db2.gz MWNSOBKVZLRLCN-CVEARBPZSA-N 2 1 354.495 0.108 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C[NH2+]1 ZINC000626891129 493053046 /nfs/dbraw/zinc/05/30/46/493053046.db2.gz YDPUGEWWTRPLAK-SWLSCSKDSA-N 2 1 361.446 0.382 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C2 ZINC000626901479 493057897 /nfs/dbraw/zinc/05/78/97/493057897.db2.gz JFEAEBPXFMMNLI-HDICACEKSA-N 2 1 354.414 0.664 10 0 FCAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000626971369 493072245 /nfs/dbraw/zinc/07/22/45/493072245.db2.gz GAIXBPREGOYCOG-BMGDILEWSA-N 2 1 373.501 0.934 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000627011719 493080398 /nfs/dbraw/zinc/08/03/98/493080398.db2.gz IKWIJEPZVNIWAC-QGZVFWFLSA-N 2 1 350.463 0.288 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000653246888 493086587 /nfs/dbraw/zinc/08/65/87/493086587.db2.gz CFAQZXPAUMUREI-QRVBRYPASA-N 2 1 360.502 0.797 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C[C@H](C)O1 ZINC000633026104 493105298 /nfs/dbraw/zinc/10/52/98/493105298.db2.gz CFPMOMFCGBNKNS-DACLVMHWSA-N 2 1 372.469 0.807 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)C[C@H](C)O1 ZINC000633026104 493105301 /nfs/dbraw/zinc/10/53/01/493105301.db2.gz CFPMOMFCGBNKNS-DACLVMHWSA-N 2 1 372.469 0.807 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627196729 493105892 /nfs/dbraw/zinc/10/58/92/493105892.db2.gz VMYLTXWSHWIURA-CVEARBPZSA-N 2 1 353.511 0.713 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627196729 493105897 /nfs/dbraw/zinc/10/58/97/493105897.db2.gz VMYLTXWSHWIURA-CVEARBPZSA-N 2 1 353.511 0.713 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627196735 493106172 /nfs/dbraw/zinc/10/61/72/493106172.db2.gz VMYLTXWSHWIURA-JKSUJKDBSA-N 2 1 353.511 0.713 10 0 FCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627196735 493106177 /nfs/dbraw/zinc/10/61/77/493106177.db2.gz VMYLTXWSHWIURA-JKSUJKDBSA-N 2 1 353.511 0.713 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)ccn2)CC1 ZINC000627257238 493119176 /nfs/dbraw/zinc/11/91/76/493119176.db2.gz DHCBSQAZSJTCOQ-SJORKVTESA-N 2 1 359.474 0.115 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)ccn2)CC1 ZINC000627257238 493119180 /nfs/dbraw/zinc/11/91/80/493119180.db2.gz DHCBSQAZSJTCOQ-SJORKVTESA-N 2 1 359.474 0.115 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000633101739 493125833 /nfs/dbraw/zinc/12/58/33/493125833.db2.gz PMPDGLASSAWIDL-OWYHZJEWSA-N 2 1 370.497 0.630 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)C3(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)CCC3)[C@@H]2C1 ZINC000646923748 493127369 /nfs/dbraw/zinc/12/73/69/493127369.db2.gz ZDXBARRALMGJJR-WNKDZCFJSA-N 2 1 360.502 0.482 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C2(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)CCC2)C1 ZINC000646923748 493127372 /nfs/dbraw/zinc/12/73/72/493127372.db2.gz ZDXBARRALMGJJR-WNKDZCFJSA-N 2 1 360.502 0.482 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)C2(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)CCC2)C1 ZINC000646923748 493127374 /nfs/dbraw/zinc/12/73/74/493127374.db2.gz ZDXBARRALMGJJR-WNKDZCFJSA-N 2 1 360.502 0.482 10 0 FCAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627295575 493138427 /nfs/dbraw/zinc/13/84/27/493138427.db2.gz IIEMHCPJUMOMPZ-OAHLLOKOSA-N 2 1 368.522 0.627 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000627296691 493139281 /nfs/dbraw/zinc/13/92/81/493139281.db2.gz PACXENOOVAYXDH-HUUCEWRRSA-N 2 1 352.479 0.004 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627296245 493139291 /nfs/dbraw/zinc/13/92/91/493139291.db2.gz AYZXBHOPXQIPDC-LZQZEXGQSA-N 2 1 366.506 0.062 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627296984 493139348 /nfs/dbraw/zinc/13/93/48/493139348.db2.gz YYJLEEAYOWWZML-FHLIZLRMSA-N 2 1 374.485 0.126 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659075427 493141233 /nfs/dbraw/zinc/14/12/33/493141233.db2.gz WYHRJAUCPMSGKC-KRWDZBQOSA-N 2 1 360.458 0.839 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627311668 493145776 /nfs/dbraw/zinc/14/57/76/493145776.db2.gz FAEJBVOLGNBUIZ-NVXWUHKLSA-N 2 1 374.485 0.562 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627312405 493146880 /nfs/dbraw/zinc/14/68/80/493146880.db2.gz XUNKQOYCDYZUCF-XHSDSOJGSA-N 2 1 356.511 0.163 10 0 FCAEMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000659112478 493160144 /nfs/dbraw/zinc/16/01/44/493160144.db2.gz QLVHSUWPTUSVRY-KFWWJZLASA-N 2 1 362.474 0.958 10 0 FCAEMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000659112478 493160145 /nfs/dbraw/zinc/16/01/45/493160145.db2.gz QLVHSUWPTUSVRY-KFWWJZLASA-N 2 1 362.474 0.958 10 0 FCAEMP O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000647085748 493160292 /nfs/dbraw/zinc/16/02/92/493160292.db2.gz VFMAUQPKUIYXJB-DAWZGUTISA-N 2 1 360.506 0.754 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000627339541 493161314 /nfs/dbraw/zinc/16/13/14/493161314.db2.gz KUCKGCBVJBAKRC-VKJFTORMSA-N 2 1 358.486 0.806 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000627339541 493161316 /nfs/dbraw/zinc/16/13/16/493161316.db2.gz KUCKGCBVJBAKRC-VKJFTORMSA-N 2 1 358.486 0.806 10 0 FCAEMP C[NH+](C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccsc1 ZINC000627357984 493174426 /nfs/dbraw/zinc/17/44/26/493174426.db2.gz WSAYVDGQYOMLPN-CYBMUJFWSA-N 2 1 354.476 0.091 10 0 FCAEMP C[C@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000627357498 493175102 /nfs/dbraw/zinc/17/51/02/493175102.db2.gz HTYVGBXJCQCFMB-YJBOKZPZSA-N 2 1 358.486 0.808 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000659493673 493196720 /nfs/dbraw/zinc/19/67/20/493196720.db2.gz AJZSMKWKIWNFII-WTXIUTQJSA-N 2 1 353.511 0.743 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394024 493200421 /nfs/dbraw/zinc/20/04/21/493200421.db2.gz UKVIWDOMSPFHBX-CJNGLKHVSA-N 2 1 350.438 0.630 10 0 FCAEMP CN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000659627482 493223070 /nfs/dbraw/zinc/22/30/70/493223070.db2.gz VQAMJAJXFNXTAF-RBUKOAKNSA-N 2 1 374.533 0.087 10 0 FCAEMP CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000659627482 493223073 /nfs/dbraw/zinc/22/30/73/493223073.db2.gz VQAMJAJXFNXTAF-RBUKOAKNSA-N 2 1 374.533 0.087 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000666924429 493237652 /nfs/dbraw/zinc/23/76/52/493237652.db2.gz FPJICKBQUMRFFW-CVEARBPZSA-N 2 1 355.527 0.862 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977718 493244120 /nfs/dbraw/zinc/24/41/20/493244120.db2.gz HLHDURCCLKBZMA-IRXDYDNUSA-N 2 1 354.495 0.386 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[C@H]1F ZINC000659673737 493244279 /nfs/dbraw/zinc/24/42/79/493244279.db2.gz NFJSTSZMKBJJNI-MGPQQGTHSA-N 2 1 352.410 0.430 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000659679104 493247099 /nfs/dbraw/zinc/24/70/99/493247099.db2.gz RMIYRSAYVQMCDC-PVAVHDDUSA-N 2 1 350.507 0.824 10 0 FCAEMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659679285 493247750 /nfs/dbraw/zinc/24/77/50/493247750.db2.gz UCJWEROLWMDJGA-MPQSDHOMSA-N 2 1 370.497 0.883 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000659681126 493249038 /nfs/dbraw/zinc/24/90/38/493249038.db2.gz XCLPOLQXWKRDDR-UHFFFAOYSA-N 2 1 372.469 0.085 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659683379 493250892 /nfs/dbraw/zinc/25/08/92/493250892.db2.gz XJWQQCOQVWZIJH-QCTRZYONSA-N 2 1 366.506 0.189 10 0 FCAEMP 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ZINC000659741691 493281552 /nfs/dbraw/zinc/28/15/52/493281552.db2.gz MPMXQDYAOZCATP-UHFFFAOYSA-N 2 1 362.518 0.969 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000659744317 493282586 /nfs/dbraw/zinc/28/25/86/493282586.db2.gz ITGRKMVLYSPPJQ-GOEBONIOSA-N 2 1 354.495 0.188 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000682285528 493286950 /nfs/dbraw/zinc/28/69/50/493286950.db2.gz ACPITQJXKJFJJJ-KGLIPLIRSA-N 2 1 350.467 0.324 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000682285528 493286951 /nfs/dbraw/zinc/28/69/51/493286951.db2.gz ACPITQJXKJFJJJ-KGLIPLIRSA-N 2 1 350.467 0.324 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000667812643 493303006 /nfs/dbraw/zinc/30/30/06/493303006.db2.gz SHYWLPXUIMORTR-LSDHHAIUSA-N 2 1 363.510 0.085 10 0 FCAEMP C[NH+](C/C=C/C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648783 493369706 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Cn1nncc1C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268593828 1187670425 /nfs/dbraw/zinc/67/04/25/1187670425.db2.gz GLGZIBOWUDMITH-KAGICYHLSA-N 2 1 368.485 0.923 10 0 FCAEMP C[C@H]1C[N@H+](C2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)CCO1 ZINC000126351053 1187825095 /nfs/dbraw/zinc/82/50/95/1187825095.db2.gz FWFMVQNRAQUCRT-KRWDZBQOSA-N 2 1 368.522 0.994 10 0 FCAEMP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000550330360 1188339008 /nfs/dbraw/zinc/33/90/08/1188339008.db2.gz WDEGVMYJIXHDNN-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001270968855 1189453762 /nfs/dbraw/zinc/45/37/62/1189453762.db2.gz VPUPGTPMOYDDJM-QLFBSQMISA-N 2 1 362.478 0.582 10 0 FCAEMP C[C@@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896571256 1190096653 /nfs/dbraw/zinc/09/66/53/1190096653.db2.gz PHRJBNLIBUMQAL-QUCCMNQESA-N 2 1 373.545 0.555 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCN2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001271912182 1190758007 /nfs/dbraw/zinc/75/80/07/1190758007.db2.gz PIRVPHLIXGHBNP-ZHALLVOQSA-N 2 1 366.550 0.923 10 0 FCAEMP C[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC001168202931 1191181719 /nfs/dbraw/zinc/18/17/19/1191181719.db2.gz RANQHKGNZDBGEW-XUVXKRRUSA-N 2 1 374.529 0.764 10 0 FCAEMP C[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC001168202931 1191181720 /nfs/dbraw/zinc/18/17/20/1191181720.db2.gz RANQHKGNZDBGEW-XUVXKRRUSA-N 2 1 374.529 0.764 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC001168202931 1191181721 /nfs/dbraw/zinc/18/17/21/1191181721.db2.gz RANQHKGNZDBGEW-XUVXKRRUSA-N 2 1 374.529 0.764 10 0 FCAEMP C[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC001168202931 1191181722 /nfs/dbraw/zinc/18/17/22/1191181722.db2.gz RANQHKGNZDBGEW-XUVXKRRUSA-N 2 1 374.529 0.764 10 0 FCAEMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2)[NH+](C)C ZINC001719958199 1191235255 /nfs/dbraw/zinc/23/52/55/1191235255.db2.gz LQZAMXRDTJBPEJ-GGXPGOJBSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000550785221 1193792896 /nfs/dbraw/zinc/79/28/96/1193792896.db2.gz QGNPKJLZPLPAPG-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000552939542 1193959443 /nfs/dbraw/zinc/95/94/43/1193959443.db2.gz PAUMTUNKIFMIGA-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000552939542 1193959444 /nfs/dbraw/zinc/95/94/44/1193959444.db2.gz PAUMTUNKIFMIGA-BBWFWOEESA-N 2 1 366.506 0.156 10 0 FCAEMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000913181495 1196401409 /nfs/dbraw/zinc/40/14/09/1196401409.db2.gz KTGKHFHSLNJHRW-UYAOXDASSA-N 2 1 361.486 0.408 10 0 FCAEMP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000913181495 1196401419 /nfs/dbraw/zinc/40/14/19/1196401419.db2.gz KTGKHFHSLNJHRW-UYAOXDASSA-N 2 1 361.486 0.408 10 0 FCAEMP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000914002441 1197198211 /nfs/dbraw/zinc/19/82/11/1197198211.db2.gz HENXMLKNPOUAES-HOTGVXAUSA-N 2 1 361.494 0.381 10 0 FCAEMP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000914002441 1197198213 /nfs/dbraw/zinc/19/82/13/1197198213.db2.gz HENXMLKNPOUAES-HOTGVXAUSA-N 2 1 361.494 0.381 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)/C=C\C=C\C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000816951932 1203083974 /nfs/dbraw/zinc/08/39/74/1203083974.db2.gz YZLMSKNNIGKISS-ZCTVWHJSSA-N 2 1 358.486 0.424 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)/C=C/C=C\C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000816951932 1203083978 /nfs/dbraw/zinc/08/39/78/1203083978.db2.gz YZLMSKNNIGKISS-ZCTVWHJSSA-N 2 1 358.486 0.424 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)/C=C/C=C\C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000816951932 1203083982 /nfs/dbraw/zinc/08/39/82/1203083982.db2.gz YZLMSKNNIGKISS-ZCTVWHJSSA-N 2 1 358.486 0.424 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)CC1 ZINC000844306168 1204395325 /nfs/dbraw/zinc/39/53/25/1204395325.db2.gz GRTMHXSJTJIDCV-KRWDZBQOSA-N 2 1 364.490 0.846 10 0 FCAEMP C[C@H]1CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000845958743 1204573142 /nfs/dbraw/zinc/57/31/42/1204573142.db2.gz DTGWTQYIZLIHPP-LSDHHAIUSA-N 2 1 372.510 0.356 10 0 FCAEMP C[C@H]1CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000845958743 1204573148 /nfs/dbraw/zinc/57/31/48/1204573148.db2.gz DTGWTQYIZLIHPP-LSDHHAIUSA-N 2 1 372.510 0.356 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001488967478 1208590691 /nfs/dbraw/zinc/59/06/91/1208590691.db2.gz BDTPACBIYNXCCQ-GVDBMIGSSA-N 2 1 368.522 0.354 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001488967478 1208590700 /nfs/dbraw/zinc/59/07/00/1208590700.db2.gz BDTPACBIYNXCCQ-GVDBMIGSSA-N 2 1 368.522 0.354 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001489015952 1208607781 /nfs/dbraw/zinc/60/77/81/1208607781.db2.gz BARCXAPNQVAVIJ-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001489133858 1208636993 /nfs/dbraw/zinc/63/69/93/1208636993.db2.gz YLQDOJWZQWGXRF-OWCLPIDISA-N 2 1 359.536 0.732 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001489140436 1208641388 /nfs/dbraw/zinc/64/13/88/1208641388.db2.gz JGSDVYYWIKUOKA-LZWOXQAQSA-N 2 1 367.494 0.094 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCN1CCNC1=O ZINC001489147023 1208646149 /nfs/dbraw/zinc/64/61/49/1208646149.db2.gz DVUCDJLZBDPOAV-DLBZAZTESA-N 2 1 365.522 0.857 10 0 FCAEMP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)nn1 ZINC001489202853 1208665982 /nfs/dbraw/zinc/66/59/82/1208665982.db2.gz POEYXDFBSGYAQN-CVEARBPZSA-N 2 1 360.506 0.920 10 0 FCAEMP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)nn1 ZINC001489202853 1208665986 /nfs/dbraw/zinc/66/59/86/1208665986.db2.gz POEYXDFBSGYAQN-CVEARBPZSA-N 2 1 360.506 0.920 10 0 FCAEMP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)[NH+](CC)CC ZINC001489359562 1208819431 /nfs/dbraw/zinc/81/94/31/1208819431.db2.gz LMGSNQVFNMWGEY-OWCLPIDISA-N 2 1 356.511 0.135 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001489580317 1208988684 /nfs/dbraw/zinc/98/86/84/1208988684.db2.gz QMGCOWOGEHKAAF-ZACQAIPSSA-N 2 1 368.522 0.279 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)CC[N@H+]1C ZINC001489669638 1209080633 /nfs/dbraw/zinc/08/06/33/1209080633.db2.gz IVQSETDOSRMCND-YYIAUSFCSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001490044023 1209224794 /nfs/dbraw/zinc/22/47/94/1209224794.db2.gz VMTLPLFMZOICST-SJORKVTESA-N 2 1 361.490 0.840 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]2C1 ZINC001490050584 1209228053 /nfs/dbraw/zinc/22/80/53/1209228053.db2.gz CFGAGVQEPVQAKD-SJORKVTESA-N 2 1 352.523 0.975 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]2C1 ZINC001490050584 1209228056 /nfs/dbraw/zinc/22/80/56/1209228056.db2.gz CFGAGVQEPVQAKD-SJORKVTESA-N 2 1 352.523 0.975 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C1 ZINC001490050584 1209228060 /nfs/dbraw/zinc/22/80/60/1209228060.db2.gz CFGAGVQEPVQAKD-SJORKVTESA-N 2 1 352.523 0.975 10 0 FCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)C1 ZINC001490352608 1209311045 /nfs/dbraw/zinc/31/10/45/1209311045.db2.gz HPAMFWBVOZZLEZ-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)C1 ZINC001490352608 1209311050 /nfs/dbraw/zinc/31/10/50/1209311050.db2.gz HPAMFWBVOZZLEZ-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCN2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1C ZINC001490492063 1209359973 /nfs/dbraw/zinc/35/99/73/1209359973.db2.gz DGLJTUXODDGXEQ-RBUKOAKNSA-N 2 1 366.550 0.877 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001490613782 1209389148 /nfs/dbraw/zinc/38/91/48/1209389148.db2.gz RVPNQYRODHRXDM-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001490613782 1209389154 /nfs/dbraw/zinc/38/91/54/1209389154.db2.gz RVPNQYRODHRXDM-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001490613782 1209389159 /nfs/dbraw/zinc/38/91/59/1209389159.db2.gz RVPNQYRODHRXDM-YVSFHVDLSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2CC2)CC[N@H+]1C ZINC001490665777 1209397497 /nfs/dbraw/zinc/39/74/97/1209397497.db2.gz TZYFSRONBNYEEO-FVQBIDKESA-N 2 1 367.538 0.909 10 0 FCAEMP O=C(C=C1CC[NH2+]CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852863669 1209568602 /nfs/dbraw/zinc/56/86/02/1209568602.db2.gz HZECUXAHSGYRCQ-UHFFFAOYSA-N 2 1 356.470 0.757 10 0 FCAEMP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856555739 1209716552 /nfs/dbraw/zinc/71/65/52/1209716552.db2.gz GBJDAZIONYYMBS-DLBZAZTESA-N 2 1 359.474 0.001 10 0 FCAEMP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856555739 1209716556 /nfs/dbraw/zinc/71/65/56/1209716556.db2.gz GBJDAZIONYYMBS-DLBZAZTESA-N 2 1 359.474 0.001 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000861754601 1209879742 /nfs/dbraw/zinc/87/97/42/1209879742.db2.gz IDEKRGMTKKZWEN-HNNXBMFYSA-N 2 1 368.441 0.593 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000865089383 1209970653 /nfs/dbraw/zinc/97/06/53/1209970653.db2.gz PGZTWBUZIXKBHI-IXDOHACOSA-N 2 1 368.522 0.674 10 0 FCAEMP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000865195609 1209975232 /nfs/dbraw/zinc/97/52/32/1209975232.db2.gz NFOAQOHHUCIKPI-CABCVRRESA-N 2 1 372.510 0.668 10 0 FCAEMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707618 1210001999 /nfs/dbraw/zinc/00/19/99/1210001999.db2.gz IVPBYFKXWYFHIF-DZUCGIPZSA-N 2 1 358.442 0.905 10 0 FCAEMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707618 1210002003 /nfs/dbraw/zinc/00/20/03/1210002003.db2.gz IVPBYFKXWYFHIF-DZUCGIPZSA-N 2 1 358.442 0.905 10 0 FCAEMP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706478 1210002028 /nfs/dbraw/zinc/00/20/28/1210002028.db2.gz APQPLXFAGQOYHQ-BBWFWOEESA-N 2 1 358.442 0.478 10 0 FCAEMP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706478 1210002032 /nfs/dbraw/zinc/00/20/32/1210002032.db2.gz APQPLXFAGQOYHQ-BBWFWOEESA-N 2 1 358.442 0.478 10 0 FCAEMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000866706060 1210002119 /nfs/dbraw/zinc/00/21/19/1210002119.db2.gz FWCASUXDOVMJEQ-LJQANCHMSA-N 2 1 360.506 0.822 10 0 FCAEMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000866706060 1210002123 /nfs/dbraw/zinc/00/21/23/1210002123.db2.gz FWCASUXDOVMJEQ-LJQANCHMSA-N 2 1 360.506 0.822 10 0 FCAEMP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706522 1210002346 /nfs/dbraw/zinc/00/23/46/1210002346.db2.gz BJACMLSVAPRPDT-HPBDAGMYSA-N 2 1 372.469 0.867 10 0 FCAEMP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706522 1210002350 /nfs/dbraw/zinc/00/23/50/1210002350.db2.gz BJACMLSVAPRPDT-HPBDAGMYSA-N 2 1 372.469 0.867 10 0 FCAEMP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710509 1210003602 /nfs/dbraw/zinc/00/36/02/1210003602.db2.gz YWRGSZJVLMMOIB-VVLHAWIVSA-N 2 1 358.442 0.683 10 0 FCAEMP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710509 1210003606 /nfs/dbraw/zinc/00/36/06/1210003606.db2.gz YWRGSZJVLMMOIB-VVLHAWIVSA-N 2 1 358.442 0.683 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@H]21 ZINC000867586964 1210016127 /nfs/dbraw/zinc/01/61/27/1210016127.db2.gz PRFNASKDOUUZFA-RTBURBONSA-N 2 1 370.497 0.883 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC1(C)C ZINC000867741458 1210026998 /nfs/dbraw/zinc/02/69/98/1210026998.db2.gz DYTULJWCFKFSHP-MRXNPFEDSA-N 2 1 366.506 0.110 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC1(C)C ZINC000867741458 1210027002 /nfs/dbraw/zinc/02/70/02/1210027002.db2.gz DYTULJWCFKFSHP-MRXNPFEDSA-N 2 1 366.506 0.110 10 0 FCAEMP 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CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930932541 1211728920 /nfs/dbraw/zinc/72/89/20/1211728920.db2.gz IVWVDHXJJQEEHL-DLBZAZTESA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000930932541 1211728922 /nfs/dbraw/zinc/72/89/22/1211728922.db2.gz IVWVDHXJJQEEHL-DLBZAZTESA-N 2 1 368.522 0.138 10 0 FCAEMP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000931001641 1211734128 /nfs/dbraw/zinc/73/41/28/1211734128.db2.gz XYKZFSKPRVCBAP-RDJZCZTQSA-N 2 1 368.522 0.593 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC000931302636 1211749890 /nfs/dbraw/zinc/74/98/90/1211749890.db2.gz ASWWKWYVXMIGLM-HOJAQTOUSA-N 2 1 366.550 0.733 10 0 FCAEMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000719292614 1213152390 /nfs/dbraw/zinc/15/23/90/1213152390.db2.gz ZGQOGACMHVRRIQ-KRWDZBQOSA-N 2 1 356.474 0.425 10 0 FCAEMP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000719292614 1213152391 /nfs/dbraw/zinc/15/23/91/1213152391.db2.gz ZGQOGACMHVRRIQ-KRWDZBQOSA-N 2 1 356.474 0.425 10 0 FCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001490888775 1216878301 /nfs/dbraw/zinc/87/83/01/1216878301.db2.gz GEOQTGKOGVVFEN-ARILJUKYSA-N 2 1 367.494 0.188 10 0 FCAEMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000900013800 1217954186 /nfs/dbraw/zinc/95/41/86/1217954186.db2.gz RIFJSUBDCQSISZ-AZUAARDMSA-N 2 1 360.502 0.376 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900176579 1217967970 /nfs/dbraw/zinc/96/79/70/1217967970.db2.gz PKNMTIKBTSPEDJ-UYAOXDASSA-N 2 1 360.502 0.770 10 0 FCAEMP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000900209147 1217971457 /nfs/dbraw/zinc/97/14/57/1217971457.db2.gz PXWALAHPSRNKKN-TZIWHRDSSA-N 2 1 374.529 0.895 10 0 FCAEMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000900247658 1217974174 /nfs/dbraw/zinc/97/41/74/1217974174.db2.gz UZICVCOORNMWRZ-YLJYHZDGSA-N 2 1 374.485 0.778 10 0 FCAEMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000900247658 1217974177 /nfs/dbraw/zinc/97/41/77/1217974177.db2.gz UZICVCOORNMWRZ-YLJYHZDGSA-N 2 1 374.485 0.778 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000902325606 1218245292 /nfs/dbraw/zinc/24/52/92/1218245292.db2.gz RNLLBDXTNHDXLN-INIZCTEOSA-N 3 1 369.510 0.583 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000902325606 1218245295 /nfs/dbraw/zinc/24/52/95/1218245295.db2.gz RNLLBDXTNHDXLN-INIZCTEOSA-N 3 1 369.510 0.583 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H]1CCCN(c3cnn(C)c3)C1=O)C2 ZINC000903493250 1218426682 /nfs/dbraw/zinc/42/66/82/1218426682.db2.gz QSUSDFRZEKAPLF-HRJSJKBJSA-N 2 1 361.446 0.128 10 0 FCAEMP Cc1cc(N2CC[C@@H](N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)C2=O)n(C)n1 ZINC000903506948 1218431645 /nfs/dbraw/zinc/43/16/45/1218431645.db2.gz GQPASYBUAPLGMA-FGTMMUONSA-N 2 1 372.517 0.734 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NC3CCOCC3)CC2)CC[N@H+]1C ZINC001277059973 1225817793 /nfs/dbraw/zinc/81/77/93/1225817793.db2.gz CNIDTRLFBQGLBL-JKSUJKDBSA-N 2 1 366.506 0.250 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C[C@@H]1C ZINC000903743870 1218512910 /nfs/dbraw/zinc/51/29/10/1218512910.db2.gz HQZTYPGXOFSZOI-ATLSCFEFSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C[C@@H]1C ZINC000903743870 1218512919 /nfs/dbraw/zinc/51/29/19/1218512919.db2.gz HQZTYPGXOFSZOI-ATLSCFEFSA-N 2 1 362.518 0.918 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760291 1218519484 /nfs/dbraw/zinc/51/94/84/1218519484.db2.gz SAXJPQIPOFEDEF-CBZIJGRNSA-N 2 1 362.518 0.905 10 0 FCAEMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885892 1218560519 /nfs/dbraw/zinc/56/05/19/1218560519.db2.gz LQRGIHGVJGUCTM-OAGGEKHMSA-N 2 1 364.494 0.566 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC001490889723 1219362661 /nfs/dbraw/zinc/36/26/61/1219362661.db2.gz NYFRMPTZLKLFLG-DGXTUMSLSA-N 2 1 359.536 0.634 10 0 FCAEMP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC000751890604 1220045138 /nfs/dbraw/zinc/04/51/38/1220045138.db2.gz AFBYMEOJJSOBCB-UHFFFAOYSA-N 2 1 359.474 0.672 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001118035034 1221692232 /nfs/dbraw/zinc/69/22/32/1221692232.db2.gz KUAZDDBRZLXORN-YESZJQIVSA-N 2 1 362.449 0.945 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@H]1c1ccc(F)cc1 ZINC001118035034 1221692237 /nfs/dbraw/zinc/69/22/37/1221692237.db2.gz KUAZDDBRZLXORN-YESZJQIVSA-N 2 1 362.449 0.945 10 0 FCAEMP Cn1cc[nH+]c1N1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001118132162 1221716831 /nfs/dbraw/zinc/71/68/31/1221716831.db2.gz STOUQWONBKDHHM-CQSZACIVSA-N 2 1 358.450 0.335 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001118548478 1221799263 /nfs/dbraw/zinc/79/92/63/1221799263.db2.gz MQAAORIDHWLWDF-NVXWUHKLSA-N 2 1 367.538 0.959 10 0 FCAEMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC001123650435 1222347430 /nfs/dbraw/zinc/34/74/30/1222347430.db2.gz SMENBCRHRIMLQA-RCCFBDPRSA-N 2 1 372.517 0.973 10 0 FCAEMP CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[C@H]2[NH+]2CCC(O)CC2)CC1 ZINC001123862518 1222361340 /nfs/dbraw/zinc/36/13/40/1222361340.db2.gz MVXQINQRMABVMT-RBUKOAKNSA-N 2 1 366.550 0.897 10 0 FCAEMP C[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC001123935231 1222367897 /nfs/dbraw/zinc/36/78/97/1222367897.db2.gz VOAOSVDHMDPDLB-UHFFFAOYSA-N 2 1 371.529 0.657 10 0 FCAEMP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000843357471 1222872719 /nfs/dbraw/zinc/87/27/19/1222872719.db2.gz LOTGCBNXAMWNJK-QGZVFWFLSA-N 2 1 360.458 0.920 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnnn2CC2CCOCC2)C1 ZINC000766112681 1245306148 /nfs/dbraw/zinc/30/61/48/1245306148.db2.gz FSYUNHZOGHUKFR-CQSZACIVSA-N 2 1 367.454 0.207 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnnn2CC2CCOCC2)C1 ZINC000766112681 1245306151 /nfs/dbraw/zinc/30/61/51/1245306151.db2.gz FSYUNHZOGHUKFR-CQSZACIVSA-N 2 1 367.454 0.207 10 0 FCAEMP O=C(/C=C/C=C\C(=O)NCC[NH+]1CC=CCC1)NCC[N@@H+]1CC=CCC1 ZINC000848021259 1245354256 /nfs/dbraw/zinc/35/42/56/1245354256.db2.gz WBDVRPRULAINHB-INWPEIIHSA-N 2 1 358.486 0.855 10 0 FCAEMP O=C(/C=C/C=C\C(=O)NCC[N@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000848021259 1245354258 /nfs/dbraw/zinc/35/42/58/1245354258.db2.gz WBDVRPRULAINHB-INWPEIIHSA-N 2 1 358.486 0.855 10 0 FCAEMP O=C(/C=C/C=C\C(=O)NCC[N@@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000848021259 1245354260 /nfs/dbraw/zinc/35/42/60/1245354260.db2.gz WBDVRPRULAINHB-INWPEIIHSA-N 2 1 358.486 0.855 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522850 1245397872 /nfs/dbraw/zinc/39/78/72/1245397872.db2.gz PDACUUCMSSLNHU-FGTMMUONSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522850 1245397878 /nfs/dbraw/zinc/39/78/78/1245397878.db2.gz PDACUUCMSSLNHU-FGTMMUONSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522850 1245397883 /nfs/dbraw/zinc/39/78/83/1245397883.db2.gz PDACUUCMSSLNHU-FGTMMUONSA-N 2 1 363.506 0.682 10 0 FCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518961 1245399062 /nfs/dbraw/zinc/39/90/62/1245399062.db2.gz UDBWTKJEWIIZED-MSOLQXFVSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518961 1245399064 /nfs/dbraw/zinc/39/90/64/1245399064.db2.gz UDBWTKJEWIIZED-MSOLQXFVSA-N 2 1 365.522 0.928 10 0 FCAEMP COCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849518961 1245399068 /nfs/dbraw/zinc/39/90/68/1245399068.db2.gz UDBWTKJEWIIZED-MSOLQXFVSA-N 2 1 365.522 0.928 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849579781 1245403629 /nfs/dbraw/zinc/40/36/29/1245403629.db2.gz SGLVMISGUMQMIT-JENIJYKNSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849579781 1245403635 /nfs/dbraw/zinc/40/36/35/1245403635.db2.gz SGLVMISGUMQMIT-JENIJYKNSA-N 2 1 363.506 0.417 10 0 FCAEMP CC(C)[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849579781 1245403638 /nfs/dbraw/zinc/40/36/38/1245403638.db2.gz SGLVMISGUMQMIT-JENIJYKNSA-N 2 1 363.506 0.417 10 0 FCAEMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CCCC[NH+]2CCO)cn1 ZINC000849602152 1245407409 /nfs/dbraw/zinc/40/74/09/1245407409.db2.gz YUTDWDOLTVJZTH-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000849602152 1245407416 /nfs/dbraw/zinc/40/74/16/1245407416.db2.gz YUTDWDOLTVJZTH-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP Cn1cc([C@@H]2C[NH+](C)CC[C@@H]2C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000849602152 1245407421 /nfs/dbraw/zinc/40/74/21/1245407421.db2.gz YUTDWDOLTVJZTH-BZSNNMDCSA-N 2 1 363.506 0.418 10 0 FCAEMP C[C@H]1[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000916435482 1245535402 /nfs/dbraw/zinc/53/54/02/1245535402.db2.gz JHEWGTQSHTUEIV-WMLDXEAASA-N 2 1 361.490 0.870 10 0 FCAEMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+](C)CCOCCO)CC1 ZINC000922119568 1245660982 /nfs/dbraw/zinc/66/09/82/1245660982.db2.gz SZIYEFKDGQWSFZ-UHFFFAOYSA-N 2 1 364.490 0.663 10 0 FCAEMP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923327828 1245708241 /nfs/dbraw/zinc/70/82/41/1245708241.db2.gz WDAWHJMVNDOXCO-CABCVRRESA-N 2 1 365.478 0.663 10 0 FCAEMP COc1cc(C)c([C@H](C)NC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000923461441 1245721098 /nfs/dbraw/zinc/72/10/98/1245721098.db2.gz NGKDCTMWQRGBSZ-HNNXBMFYSA-N 2 1 364.490 0.684 10 0 FCAEMP CCN(CC)C(=O)c1cccc(NC(=O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463570 1245721438 /nfs/dbraw/zinc/72/14/38/1245721438.db2.gz GBPHXXHRBIWOID-UHFFFAOYSA-N 2 1 361.490 0.602 10 0 FCAEMP COc1ccc(CCNC(=O)[C@@H](C)N2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000923464993 1245722056 /nfs/dbraw/zinc/72/20/56/1245722056.db2.gz UBDOJNNBEQBXNB-OAHLLOKOSA-N 2 1 364.490 0.246 10 0 FCAEMP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000923465365 1245722341 /nfs/dbraw/zinc/72/23/41/1245722341.db2.gz YUACIBWVKMQOMI-GJZGRUSLSA-N 2 1 362.474 0.518 10 0 FCAEMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923464089 1245722365 /nfs/dbraw/zinc/72/23/65/1245722365.db2.gz ZDZKPYJSQRPEOJ-INIZCTEOSA-N 2 1 363.481 0.358 10 0 FCAEMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001328430957 1265546966 /nfs/dbraw/zinc/54/69/66/1265546966.db2.gz BWOKFJQBWXPHQD-INIZCTEOSA-N 2 1 372.473 0.894 10 0 FCAEMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001328430957 1265546972 /nfs/dbraw/zinc/54/69/72/1265546972.db2.gz BWOKFJQBWXPHQD-INIZCTEOSA-N 2 1 372.473 0.894 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC001520423473 1265915589 /nfs/dbraw/zinc/91/55/89/1265915589.db2.gz NZZJOBSNPMSULA-QUCCMNQESA-N 2 1 360.502 0.500 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001520878283 1266026637 /nfs/dbraw/zinc/02/66/37/1266026637.db2.gz DOVJFFPKPMYKKC-WBVHZDCISA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001520878283 1266026649 /nfs/dbraw/zinc/02/66/49/1266026649.db2.gz DOVJFFPKPMYKKC-WBVHZDCISA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001331457058 1266218182 /nfs/dbraw/zinc/21/81/82/1266218182.db2.gz WWPFMXUBUBQQEO-MGPQQGTHSA-N 2 1 367.494 0.094 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@@H]1c1ccc(F)cc1 ZINC001331476206 1266222817 /nfs/dbraw/zinc/22/28/17/1266222817.db2.gz PQOMLQQXMKLHQD-BXWFABGCSA-N 2 1 362.449 0.884 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@@H]1c1ccc(F)cc1 ZINC001331476206 1266222822 /nfs/dbraw/zinc/22/28/22/1266222822.db2.gz PQOMLQQXMKLHQD-BXWFABGCSA-N 2 1 362.449 0.884 10 0 FCAEMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001331652430 1266258972 /nfs/dbraw/zinc/25/89/72/1266258972.db2.gz WHPRHPZEPNTTMG-QGZVFWFLSA-N 2 1 373.501 0.265 10 0 FCAEMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001331652430 1266258975 /nfs/dbraw/zinc/25/89/75/1266258975.db2.gz WHPRHPZEPNTTMG-QGZVFWFLSA-N 2 1 373.501 0.265 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1C ZINC001336605215 1260183117 /nfs/dbraw/zinc/18/31/17/1260183117.db2.gz DQLWUMRVFJTUIG-HZPDHXFCSA-N 2 1 368.522 0.402 10 0 FCAEMP CN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001262155427 1260271016 /nfs/dbraw/zinc/27/10/16/1260271016.db2.gz KWUBHCHCIASPFU-USXIJHARSA-N 2 1 362.478 0.214 10 0 FCAEMP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC001262214410 1260278648 /nfs/dbraw/zinc/27/86/48/1260278648.db2.gz QQXPCCQIQQAQLM-KRWDZBQOSA-N 2 1 371.493 0.312 10 0 FCAEMP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC001262214410 1260278655 /nfs/dbraw/zinc/27/86/55/1260278655.db2.gz QQXPCCQIQQAQLM-KRWDZBQOSA-N 2 1 371.493 0.312 10 0 FCAEMP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264740453 1260407319 /nfs/dbraw/zinc/40/73/19/1260407319.db2.gz SHTVBJSUDPDXMX-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264740453 1260407324 /nfs/dbraw/zinc/40/73/24/1260407324.db2.gz SHTVBJSUDPDXMX-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264740453 1260407329 /nfs/dbraw/zinc/40/73/29/1260407329.db2.gz SHTVBJSUDPDXMX-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264740453 1260407333 /nfs/dbraw/zinc/40/73/33/1260407333.db2.gz SHTVBJSUDPDXMX-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265479011 1260414302 /nfs/dbraw/zinc/41/43/02/1260414302.db2.gz XITIJLDRTHPTJV-KBUPBQIOSA-N 2 1 367.494 0.189 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001265979453 1260421603 /nfs/dbraw/zinc/42/16/03/1260421603.db2.gz MMWNOGAHTVJNOF-BFYDXBDKSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001265979454 1260422501 /nfs/dbraw/zinc/42/25/01/1260422501.db2.gz MMWNOGAHTVJNOF-HLLBOEOZSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001278781129 1260731455 /nfs/dbraw/zinc/73/14/55/1260731455.db2.gz CXWHHHDBRZVMGV-XFQXTVEOSA-N 2 1 361.486 0.572 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(CO)cc3)C2)CC[NH+]1C ZINC001278781129 1260731461 /nfs/dbraw/zinc/73/14/61/1260731461.db2.gz CXWHHHDBRZVMGV-XFQXTVEOSA-N 2 1 361.486 0.572 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(CO)cc3)C2)CC[NH+]1C ZINC001278781129 1260731464 /nfs/dbraw/zinc/73/14/64/1260731464.db2.gz CXWHHHDBRZVMGV-XFQXTVEOSA-N 2 1 361.486 0.572 10 0 FCAEMP COCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001278906691 1260756580 /nfs/dbraw/zinc/75/65/80/1260756580.db2.gz CJBREBQXLCAJKM-MSOLQXFVSA-N 2 1 361.486 0.531 10 0 FCAEMP COCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001278906691 1260756585 /nfs/dbraw/zinc/75/65/85/1260756585.db2.gz CJBREBQXLCAJKM-MSOLQXFVSA-N 2 1 361.486 0.531 10 0 FCAEMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001281787551 1261197990 /nfs/dbraw/zinc/19/79/90/1261197990.db2.gz AJLQBPAWRSUNHI-IAGOWNOFSA-N 2 1 368.522 0.404 10 0 FCAEMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2OC)C1 ZINC001281855153 1261236869 /nfs/dbraw/zinc/23/68/69/1261236869.db2.gz ZEVDAMAUNNTOJS-GVDBMIGSSA-N 2 1 368.522 0.402 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282441502 1261456163 /nfs/dbraw/zinc/45/61/63/1261456163.db2.gz FQIJRSCKPDNGMW-QKLQHJQFSA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282441502 1261456168 /nfs/dbraw/zinc/45/61/68/1261456168.db2.gz FQIJRSCKPDNGMW-QKLQHJQFSA-N 2 1 364.534 0.975 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001282441502 1261456171 /nfs/dbraw/zinc/45/61/71/1261456171.db2.gz FQIJRSCKPDNGMW-QKLQHJQFSA-N 2 1 364.534 0.975 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282446941 1261458913 /nfs/dbraw/zinc/45/89/13/1261458913.db2.gz BFXKDTSBSCLZLO-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282446941 1261458918 /nfs/dbraw/zinc/45/89/18/1261458918.db2.gz BFXKDTSBSCLZLO-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001282446941 1261458923 /nfs/dbraw/zinc/45/89/23/1261458923.db2.gz BFXKDTSBSCLZLO-ABSDTBQOSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001282453883 1261461458 /nfs/dbraw/zinc/46/14/58/1261461458.db2.gz JNMJCVHWMRRUJS-QKLQHJQFSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001282453883 1261461462 /nfs/dbraw/zinc/46/14/62/1261461462.db2.gz JNMJCVHWMRRUJS-QKLQHJQFSA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001282453883 1261461465 /nfs/dbraw/zinc/46/14/65/1261461465.db2.gz JNMJCVHWMRRUJS-QKLQHJQFSA-N 2 1 364.534 0.977 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCCO[C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001282518099 1261500334 /nfs/dbraw/zinc/50/03/34/1261500334.db2.gz IURZXBMJRDNRAT-IXDOHACOSA-N 2 1 369.506 0.075 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCCO[C@H]3CCOC3)C2)CC[N@H+]1C ZINC001282518099 1261500342 /nfs/dbraw/zinc/50/03/42/1261500342.db2.gz IURZXBMJRDNRAT-IXDOHACOSA-N 2 1 369.506 0.075 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001345153887 1261642105 /nfs/dbraw/zinc/64/21/05/1261642105.db2.gz FNKMGJUHEJYSNM-LBRJOISOSA-N 2 1 362.449 0.883 10 0 FCAEMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C1 ZINC001345153887 1261642113 /nfs/dbraw/zinc/64/21/13/1261642113.db2.gz FNKMGJUHEJYSNM-LBRJOISOSA-N 2 1 362.449 0.883 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001345286705 1261665414 /nfs/dbraw/zinc/66/54/14/1261665414.db2.gz IUQQKQSMVJFHGO-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001345286705 1261665420 /nfs/dbraw/zinc/66/54/20/1261665420.db2.gz IUQQKQSMVJFHGO-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@@H]1C ZINC001345407856 1261697972 /nfs/dbraw/zinc/69/79/72/1261697972.db2.gz CBEYAQQDHAKSEK-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001289827230 1262351896 /nfs/dbraw/zinc/35/18/96/1262351896.db2.gz WQQWCEOBLFQNAB-HZPDHXFCSA-N 2 1 359.474 0.593 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001290855023 1262522502 /nfs/dbraw/zinc/52/25/02/1262522502.db2.gz YAJGKVDHOZHIOJ-QKLQHJQFSA-N 2 1 364.534 0.977 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001290912844 1262533066 /nfs/dbraw/zinc/53/30/66/1262533066.db2.gz VJEVZIHDCSXZIU-KBAYOESNSA-N 2 1 364.534 0.881 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001290928046 1262537078 /nfs/dbraw/zinc/53/70/78/1262537078.db2.gz ZROCVJUEVPFIEF-GDBMZVCRSA-N 2 1 361.490 0.887 10 0 FCAEMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H](C)C2)C1 ZINC001290932744 1262538340 /nfs/dbraw/zinc/53/83/40/1262538340.db2.gz CFIKLMFXOXJCGL-ARFHVFGLSA-N 2 1 361.490 0.895 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H](C)C2)C1 ZINC001290932744 1262538345 /nfs/dbraw/zinc/53/83/45/1262538345.db2.gz CFIKLMFXOXJCGL-ARFHVFGLSA-N 2 1 361.490 0.895 10 0 FCAEMP O=C(NCC[NH+]1CCC(O)CC1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001298012702 1262905926 /nfs/dbraw/zinc/90/59/26/1262905926.db2.gz ANTATLBDOWXAPV-FQEVSTJZSA-N 2 1 361.486 0.586 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1C ZINC001298420278 1262925349 /nfs/dbraw/zinc/92/53/49/1262925349.db2.gz VWQHIEBWIRCOEQ-FQKNFESYSA-N 2 1 362.518 0.847 10 0 FCAEMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]3CC[N@H+](CCOCCO)C[C@H]31)C2 ZINC001479171707 1263175153 /nfs/dbraw/zinc/17/51/53/1263175153.db2.gz DRLFSFMHORJRSG-JFIYKMOQSA-N 2 1 362.474 0.296 10 0 FCAEMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001479171707 1263175156 /nfs/dbraw/zinc/17/51/56/1263175156.db2.gz DRLFSFMHORJRSG-JFIYKMOQSA-N 2 1 362.474 0.296 10 0 FCAEMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001479494841 1263222326 /nfs/dbraw/zinc/22/23/26/1263222326.db2.gz KORUGSSWRYKVEG-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP CCN(CC)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001479494841 1263222336 /nfs/dbraw/zinc/22/23/36/1263222336.db2.gz KORUGSSWRYKVEG-BBWFWOEESA-N 2 1 368.522 0.450 10 0 FCAEMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)C1 ZINC001479494768 1263222349 /nfs/dbraw/zinc/22/23/49/1263222349.db2.gz USBKFKSNRPHANA-ARFHVFGLSA-N 2 1 367.538 0.910 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001479536976 1263243675 /nfs/dbraw/zinc/24/36/75/1263243675.db2.gz PLAKMMCCUUNTIV-QBPKDAKJSA-N 2 1 366.506 0.012 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001479543337 1263247776 /nfs/dbraw/zinc/24/77/76/1263247776.db2.gz XDCRZSSSQCNREH-BRWVUGGUSA-N 2 1 364.494 0.073 10 0 FCAEMP C[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001479572753 1263260071 /nfs/dbraw/zinc/26/00/71/1263260071.db2.gz QYGKSRKLRPVNIW-KGLIPLIRSA-N 2 1 363.462 0.586 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001479585498 1263265444 /nfs/dbraw/zinc/26/54/44/1263265444.db2.gz MEUZROFRRREVCY-CABCVRRESA-N 2 1 367.494 0.095 10 0 FCAEMP 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CCOCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001484701733 1263482209 /nfs/dbraw/zinc/48/22/09/1263482209.db2.gz LVEJUECHTLZPBE-KZNAEPCWSA-N 2 1 352.523 0.582 10 0 FCAEMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001317087251 1263502771 /nfs/dbraw/zinc/50/27/71/1263502771.db2.gz ITCDUFKZWGAIAZ-FGTAOJJYSA-N 2 1 358.486 0.703 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1C ZINC001491719392 1263615473 /nfs/dbraw/zinc/61/54/73/1263615473.db2.gz SLTCRBIYPALAKS-GDBMZVCRSA-N 2 1 364.494 0.021 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001491726196 1263618276 /nfs/dbraw/zinc/61/82/76/1263618276.db2.gz LUXQWTXMTUNEMJ-GRYCIOLGSA-N 2 1 352.464 0.007 10 0 FCAEMP CN(CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)C[N@@H+](C)C1CCC1 ZINC001492850154 1263676195 /nfs/dbraw/zinc/67/61/95/1263676195.db2.gz PVORIJFMBGRQHP-HZPDHXFCSA-N 2 1 361.490 0.973 10 0 FCAEMP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001493207216 1263713869 /nfs/dbraw/zinc/71/38/69/1263713869.db2.gz OQWBRPGZVZMQIR-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CCS(=O)(=O)CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001493207216 1263713876 /nfs/dbraw/zinc/71/38/76/1263713876.db2.gz OQWBRPGZVZMQIR-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CCS(=O)(=O)CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001493207216 1263713879 /nfs/dbraw/zinc/71/38/79/1263713879.db2.gz OQWBRPGZVZMQIR-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CCS(=O)(=O)CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001493207216 1263713891 /nfs/dbraw/zinc/71/38/91/1263713891.db2.gz OQWBRPGZVZMQIR-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@H](C)C(=O)NC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001493371528 1263719374 /nfs/dbraw/zinc/71/93/74/1263719374.db2.gz CVAISLTVDJVBIM-VHDGCEQUSA-N 2 1 367.494 0.141 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)CC[N@H+]1C ZINC001494057757 1263751173 /nfs/dbraw/zinc/75/11/73/1263751173.db2.gz KDQXRABENCUKOP-YHUYYLMFSA-N 2 1 350.507 0.964 10 0 FCAEMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001494848980 1263788757 /nfs/dbraw/zinc/78/87/57/1263788757.db2.gz PWDDYMQIEAYKMH-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001494848980 1263788766 /nfs/dbraw/zinc/78/87/66/1263788766.db2.gz PWDDYMQIEAYKMH-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001494981610 1263793591 /nfs/dbraw/zinc/79/35/91/1263793591.db2.gz QRFNIGWUTMSZIQ-MGPQQGTHSA-N 2 1 369.510 0.435 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC2CC2)C2CC2)CC[N@H+]1C ZINC001495249343 1263807247 /nfs/dbraw/zinc/80/72/47/1263807247.db2.gz OBNVQUFIDZHQIG-FCEWJHQRSA-N 2 1 350.507 0.870 10 0 FCAEMP C[C@@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496063062 1263852827 /nfs/dbraw/zinc/85/28/27/1263852827.db2.gz YEJCULMHYJPHEC-RRFJBIMHSA-N 2 1 359.536 0.588 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C(C)C)CC[N@H+]1C ZINC001496560824 1263879571 /nfs/dbraw/zinc/87/95/71/1263879571.db2.gz GQUWSXONGJSJSK-MELADBBJSA-N 2 1 352.483 0.069 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001321065901 1263902600 /nfs/dbraw/zinc/90/26/00/1263902600.db2.gz DFUNASYZPKGSJF-YOVCOIKASA-N 2 1 363.510 0.573 10 0 FCAEMP C[C@@H](CC[NH2+]CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497196773 1263919518 /nfs/dbraw/zinc/91/95/18/1263919518.db2.gz XULVRQJWHFPHLD-RRFJBIMHSA-N 2 1 355.527 0.909 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001497585705 1263941638 /nfs/dbraw/zinc/94/16/38/1263941638.db2.gz MVLPOOXMHOGWKI-ZYOQUQOHSA-N 2 1 360.462 0.407 10 0 FCAEMP 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CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001565701950 1269490609 /nfs/dbraw/zinc/49/06/09/1269490609.db2.gz PWAQFZITZBBWDU-ZWKOTPCHSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001565701950 1269490613 /nfs/dbraw/zinc/49/06/13/1269490613.db2.gz PWAQFZITZBBWDU-ZWKOTPCHSA-N 2 1 352.523 0.630 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001565945418 1269526237 /nfs/dbraw/zinc/52/62/37/1269526237.db2.gz MQKVYSNYZMFRFJ-OWCLPIDISA-N 2 1 368.522 0.448 10 0 FCAEMP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055372 1269590490 /nfs/dbraw/zinc/59/04/90/1269590490.db2.gz USLMONFTGXZMMF-QYZOEREBSA-N 2 1 370.497 0.787 10 0 FCAEMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055372 1269590497 /nfs/dbraw/zinc/59/04/97/1269590497.db2.gz USLMONFTGXZMMF-QYZOEREBSA-N 2 1 370.497 0.787 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055372 1269590506 /nfs/dbraw/zinc/59/05/06/1269590506.db2.gz USLMONFTGXZMMF-QYZOEREBSA-N 2 1 370.497 0.787 10 0 FCAEMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)Cc1ccccc1 ZINC001566055372 1269590513 /nfs/dbraw/zinc/59/05/13/1269590513.db2.gz USLMONFTGXZMMF-QYZOEREBSA-N 2 1 370.497 0.787 10 0 FCAEMP COCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001566103212 1269603433 /nfs/dbraw/zinc/60/34/33/1269603433.db2.gz AVQHUQNGKZAXED-HFTRVMKXSA-N 2 1 364.490 0.996 10 0 FCAEMP COCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001566103212 1269603439 /nfs/dbraw/zinc/60/34/39/1269603439.db2.gz AVQHUQNGKZAXED-HFTRVMKXSA-N 2 1 364.490 0.996 10 0 FCAEMP C[C@H](C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001566101817 1269604766 /nfs/dbraw/zinc/60/47/66/1269604766.db2.gz CALLJYLSHVLNNR-FMKPAKJESA-N 2 1 359.536 0.588 10 0 FCAEMP C[C@H](C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C)CS(C)(=O)=O ZINC001566101817 1269604772 /nfs/dbraw/zinc/60/47/72/1269604772.db2.gz CALLJYLSHVLNNR-FMKPAKJESA-N 2 1 359.536 0.588 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001567016639 1269674481 /nfs/dbraw/zinc/67/44/81/1269674481.db2.gz JWGVLBPIRQCBNH-BFHYXJOUSA-N 2 1 367.494 0.141 10 0 FCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1OC ZINC001342930080 1269683664 /nfs/dbraw/zinc/68/36/64/1269683664.db2.gz MNTVBZZULSMCQS-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1OC ZINC001342930080 1269683667 /nfs/dbraw/zinc/68/36/67/1269683667.db2.gz MNTVBZZULSMCQS-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1OC ZINC001342930080 1269683670 /nfs/dbraw/zinc/68/36/70/1269683670.db2.gz MNTVBZZULSMCQS-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567763298 1269706598 /nfs/dbraw/zinc/70/65/98/1269706598.db2.gz RKYPCMZTRJUULH-DJIMGWMZSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567763298 1269706608 /nfs/dbraw/zinc/70/66/08/1269706608.db2.gz RKYPCMZTRJUULH-DJIMGWMZSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567763298 1269706617 /nfs/dbraw/zinc/70/66/17/1269706617.db2.gz RKYPCMZTRJUULH-DJIMGWMZSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC1CCOCC1 ZINC001567961498 1269715924 /nfs/dbraw/zinc/71/59/24/1269715924.db2.gz INOAWLXMLLWDPO-HYVNUMGLSA-N 2 1 368.522 0.496 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC1CCOCC1 ZINC001567961497 1269716084 /nfs/dbraw/zinc/71/60/84/1269716084.db2.gz INOAWLXMLLWDPO-BHYGNILZSA-N 2 1 368.522 0.496 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCc2cccs2)CC[N@H+]1C ZINC001568851969 1269751484 /nfs/dbraw/zinc/75/14/84/1269751484.db2.gz POTFWLUOEVWEBT-RAQZUPNJSA-N 2 1 364.515 0.967 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc2cc(C)on2)CC[N@H+]1C ZINC001569058856 1269761597 /nfs/dbraw/zinc/76/15/97/1269761597.db2.gz XMAIZFPTXCBSGP-FPMFFAJLSA-N 2 1 351.451 0.746 10 0 FCAEMP C[C@H](C[N@@H+](C)CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569117534 1269766017 /nfs/dbraw/zinc/76/60/17/1269766017.db2.gz BFIRTXGOAZUFPL-RBSFLKMASA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@H](C[NH+](C)CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569117534 1269766022 /nfs/dbraw/zinc/76/60/22/1269766022.db2.gz BFIRTXGOAZUFPL-RBSFLKMASA-N 2 1 355.527 0.861 10 0 FCAEMP C[C@H](C[NH+](C)CCNC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569117534 1269766029 /nfs/dbraw/zinc/76/60/29/1269766029.db2.gz BFIRTXGOAZUFPL-RBSFLKMASA-N 2 1 355.527 0.861 10 0 FCAEMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001569401597 1269780746 /nfs/dbraw/zinc/78/07/46/1269780746.db2.gz XPPDCJHXPJYVSU-BFHYXJOUSA-N 2 1 367.494 0.188 10 0 FCAEMP COCc1noc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001569981376 1269825968 /nfs/dbraw/zinc/82/59/68/1269825968.db2.gz HZSDAYZCFUYWNT-QLFBSQMISA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001569981376 1269825975 /nfs/dbraw/zinc/82/59/75/1269825975.db2.gz HZSDAYZCFUYWNT-QLFBSQMISA-N 2 1 365.478 0.884 10 0 FCAEMP CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001570273312 1269860029 /nfs/dbraw/zinc/86/00/29/1269860029.db2.gz OXKRKTKKUNOMBD-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP CCNC(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001570273312 1269860041 /nfs/dbraw/zinc/86/00/41/1269860041.db2.gz OXKRKTKKUNOMBD-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP CCNC(=O)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001570273312 1269860053 /nfs/dbraw/zinc/86/00/53/1269860053.db2.gz OXKRKTKKUNOMBD-GPMSIDNRSA-N 2 1 350.507 0.777 10 0 FCAEMP Cc1nnsc1C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571673949 1269948779 /nfs/dbraw/zinc/94/87/79/1269948779.db2.gz JKYJMWMLALFZNS-ZIAGYGMSSA-N 2 1 355.508 0.751 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1O ZINC001343604989 1269959063 /nfs/dbraw/zinc/95/90/63/1269959063.db2.gz FCWWEZUBDTWZLZ-CVEARBPZSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001343604989 1269959066 /nfs/dbraw/zinc/95/90/66/1269959066.db2.gz FCWWEZUBDTWZLZ-CVEARBPZSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001343604989 1269959072 /nfs/dbraw/zinc/95/90/72/1269959072.db2.gz FCWWEZUBDTWZLZ-CVEARBPZSA-N 2 1 368.522 0.138 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001572217892 1270012061 /nfs/dbraw/zinc/01/20/61/1270012061.db2.gz BVDJFVKDXCEVFC-OIISXLGYSA-N 2 1 361.490 0.885 10 0 FCAEMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001572217892 1270012071 /nfs/dbraw/zinc/01/20/71/1270012071.db2.gz BVDJFVKDXCEVFC-OIISXLGYSA-N 2 1 361.490 0.885 10 0 FCAEMP C[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1)C1CCC1 ZINC001344258649 1270121628 /nfs/dbraw/zinc/12/16/28/1270121628.db2.gz OUMUBLLOSXBDNF-UXLLHSPISA-N 2 1 366.506 0.202 10 0 FCAEMP C[N@@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1)C1CCC1 ZINC001344258649 1270121634 /nfs/dbraw/zinc/12/16/34/1270121634.db2.gz OUMUBLLOSXBDNF-UXLLHSPISA-N 2 1 366.506 0.202 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CCC1 ZINC001344258649 1270121637 /nfs/dbraw/zinc/12/16/37/1270121637.db2.gz OUMUBLLOSXBDNF-UXLLHSPISA-N 2 1 366.506 0.202 10 0 FCAEMP C[NH+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CCC1 ZINC001344258649 1270121643 /nfs/dbraw/zinc/12/16/43/1270121643.db2.gz OUMUBLLOSXBDNF-UXLLHSPISA-N 2 1 366.506 0.202 10 0 FCAEMP C[NH+](C)CCC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001572792225 1270145520 /nfs/dbraw/zinc/14/55/20/1270145520.db2.gz WFBHWOCPWZVCMK-JKSUJKDBSA-N 2 1 352.523 0.975 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001573060194 1270580356 /nfs/dbraw/zinc/58/03/56/1270580356.db2.gz MXMSIYPIBYOCNR-IAGOWNOFSA-N 2 1 361.490 0.983 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001573211651 1270674551 /nfs/dbraw/zinc/67/45/51/1270674551.db2.gz SZDLLKTZMJCSGL-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001573211651 1270674561 /nfs/dbraw/zinc/67/45/61/1270674561.db2.gz SZDLLKTZMJCSGL-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001573211651 1270674572 /nfs/dbraw/zinc/67/45/72/1270674572.db2.gz SZDLLKTZMJCSGL-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001573362986 1270762377 /nfs/dbraw/zinc/76/23/77/1270762377.db2.gz UEYWFBLYIFQFMB-SJORKVTESA-N 2 1 361.490 0.839 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001573362986 1270762379 /nfs/dbraw/zinc/76/23/79/1270762379.db2.gz UEYWFBLYIFQFMB-SJORKVTESA-N 2 1 361.490 0.839 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001573379936 1270767213 /nfs/dbraw/zinc/76/72/13/1270767213.db2.gz CKRDDCKGKHNMCU-SJORKVTESA-N 2 1 362.518 0.731 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001573523727 1270811792 /nfs/dbraw/zinc/81/17/92/1270811792.db2.gz QJHKIASJAQHZPW-PBHICJAKSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001573745319 1270868228 /nfs/dbraw/zinc/86/82/28/1270868228.db2.gz HQNGCXOHJUDSBH-FCEWJHQRSA-N 2 1 350.507 0.587 10 0 FCAEMP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713281861 1287272684 /nfs/dbraw/zinc/27/26/84/1287272684.db2.gz IDXWKBWOOLLHQZ-VRXFMZDNSA-N 2 1 350.507 0.678 10 0 FCAEMP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713281861 1287272685 /nfs/dbraw/zinc/27/26/85/1287272685.db2.gz IDXWKBWOOLLHQZ-VRXFMZDNSA-N 2 1 350.507 0.678 10 0 FCAEMP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713281861 1287272687 /nfs/dbraw/zinc/27/26/87/1287272687.db2.gz IDXWKBWOOLLHQZ-VRXFMZDNSA-N 2 1 350.507 0.678 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001713484992 1287282753 /nfs/dbraw/zinc/28/27/53/1287282753.db2.gz COAUOXKJOMNZPO-YESZJQIVSA-N 2 1 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Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)cn1 ZINC001733467029 1288611507 /nfs/dbraw/zinc/61/15/07/1288611507.db2.gz OKQMUNWRIGSXEM-NVXWUHKLSA-N 2 1 361.490 0.880 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N(C)C(C)C)C2)CC[N@@H+]1C ZINC001733483321 1288612640 /nfs/dbraw/zinc/61/26/40/1288612640.db2.gz QQJGBWDILKRXDN-FCEWJHQRSA-N 2 1 368.522 0.137 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(=O)N(C)C(C)C)C2)CC[N@H+]1C ZINC001733483321 1288612647 /nfs/dbraw/zinc/61/26/47/1288612647.db2.gz QQJGBWDILKRXDN-FCEWJHQRSA-N 2 1 368.522 0.137 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C(C)C)C2)CC[NH+]1C ZINC001733483321 1288612653 /nfs/dbraw/zinc/61/26/53/1288612653.db2.gz QQJGBWDILKRXDN-FCEWJHQRSA-N 2 1 368.522 0.137 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C(C)C)C2)CC[NH+]1C ZINC001733483321 1288612657 /nfs/dbraw/zinc/61/26/57/1288612657.db2.gz QQJGBWDILKRXDN-FCEWJHQRSA-N 2 1 368.522 0.137 10 0 FCAEMP Cc1oncc1C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001733587859 1288620885 /nfs/dbraw/zinc/62/08/85/1288620885.db2.gz INMDNELRRBCTGI-MZMPZRCHSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1oncc1C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001733587859 1288620889 /nfs/dbraw/zinc/62/08/89/1288620889.db2.gz INMDNELRRBCTGI-MZMPZRCHSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1oncc1C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001733587859 1288620895 /nfs/dbraw/zinc/62/08/95/1288620895.db2.gz INMDNELRRBCTGI-MZMPZRCHSA-N 2 1 350.463 0.766 10 0 FCAEMP Cc1oncc1C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001733587859 1288620898 /nfs/dbraw/zinc/62/08/98/1288620898.db2.gz INMDNELRRBCTGI-MZMPZRCHSA-N 2 1 350.463 0.766 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001733760255 1288627344 /nfs/dbraw/zinc/62/73/44/1288627344.db2.gz JDFJKJCHOAJZIW-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733760255 1288627345 /nfs/dbraw/zinc/62/73/45/1288627345.db2.gz JDFJKJCHOAJZIW-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP CCOCCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001733760255 1288627349 /nfs/dbraw/zinc/62/73/49/1288627349.db2.gz JDFJKJCHOAJZIW-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP Cc1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001733818900 1288630416 /nfs/dbraw/zinc/63/04/16/1288630416.db2.gz XEESXGXSZAMWIL-SZVBFZGTSA-N 2 1 363.506 0.512 10 0 FCAEMP Cc1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001733818900 1288630418 /nfs/dbraw/zinc/63/04/18/1288630418.db2.gz XEESXGXSZAMWIL-SZVBFZGTSA-N 2 1 363.506 0.512 10 0 FCAEMP CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001734195925 1288644714 /nfs/dbraw/zinc/64/47/14/1288644714.db2.gz PNTPMHJCWOYRJS-JKSUJKDBSA-N 2 1 350.507 0.777 10 0 FCAEMP CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001734195925 1288644717 /nfs/dbraw/zinc/64/47/17/1288644717.db2.gz PNTPMHJCWOYRJS-JKSUJKDBSA-N 2 1 350.507 0.777 10 0 FCAEMP CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001734195925 1288644720 /nfs/dbraw/zinc/64/47/20/1288644720.db2.gz PNTPMHJCWOYRJS-JKSUJKDBSA-N 2 1 350.507 0.777 10 0 FCAEMP CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001734195925 1288644722 /nfs/dbraw/zinc/64/47/22/1288644722.db2.gz PNTPMHJCWOYRJS-JKSUJKDBSA-N 2 1 350.507 0.777 10 0 FCAEMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)Nc1nccs1 ZINC001734325544 1288648583 /nfs/dbraw/zinc/64/85/83/1288648583.db2.gz BIMRCNHTXIFCOT-YNEHKIRRSA-N 2 1 353.492 0.858 10 0 FCAEMP CCCCn1nnnc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734328051 1288648970 /nfs/dbraw/zinc/64/89/70/1288648970.db2.gz SSPMWFABZWJBJJ-RBSFLKMASA-N 2 1 351.499 0.750 10 0 FCAEMP CCCCn1nnnc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734328051 1288648973 /nfs/dbraw/zinc/64/89/73/1288648973.db2.gz SSPMWFABZWJBJJ-RBSFLKMASA-N 2 1 351.499 0.750 10 0 FCAEMP COc1ccnc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001734539433 1288657628 /nfs/dbraw/zinc/65/76/28/1288657628.db2.gz PWBMDDXPLLCFGZ-QGPMSJSTSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1ccnc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001734539433 1288657634 /nfs/dbraw/zinc/65/76/34/1288657634.db2.gz PWBMDDXPLLCFGZ-QGPMSJSTSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1ccnc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001734539433 1288657643 /nfs/dbraw/zinc/65/76/43/1288657643.db2.gz PWBMDDXPLLCFGZ-QGPMSJSTSA-N 2 1 364.490 0.682 10 0 FCAEMP COc1ccnc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001734539433 1288657646 /nfs/dbraw/zinc/65/76/46/1288657646.db2.gz PWBMDDXPLLCFGZ-QGPMSJSTSA-N 2 1 364.490 0.682 10 0 FCAEMP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001735822231 1288929678 /nfs/dbraw/zinc/92/96/78/1288929678.db2.gz UYBVCHCXVIAGQD-OAGGEKHMSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001735822231 1288929680 /nfs/dbraw/zinc/92/96/80/1288929680.db2.gz UYBVCHCXVIAGQD-OAGGEKHMSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001735822231 1288929682 /nfs/dbraw/zinc/92/96/82/1288929682.db2.gz UYBVCHCXVIAGQD-OAGGEKHMSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001735822231 1288929684 /nfs/dbraw/zinc/92/96/84/1288929684.db2.gz UYBVCHCXVIAGQD-OAGGEKHMSA-N 2 1 368.522 0.401 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001736357121 1289277506 /nfs/dbraw/zinc/27/75/06/1289277506.db2.gz UPERBEZIIMQKNU-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001736357121 1289277510 /nfs/dbraw/zinc/27/75/10/1289277510.db2.gz UPERBEZIIMQKNU-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001736357121 1289277515 /nfs/dbraw/zinc/27/75/15/1289277515.db2.gz UPERBEZIIMQKNU-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001736357121 1289277519 /nfs/dbraw/zinc/27/75/19/1289277519.db2.gz UPERBEZIIMQKNU-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001737426349 1289548178 /nfs/dbraw/zinc/54/81/78/1289548178.db2.gz DOOKDNOCORYQMX-WCXIOVBPSA-N 2 1 350.507 0.869 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001737426349 1289548187 /nfs/dbraw/zinc/54/81/87/1289548187.db2.gz DOOKDNOCORYQMX-WCXIOVBPSA-N 2 1 350.507 0.869 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001737426349 1289548190 /nfs/dbraw/zinc/54/81/90/1289548190.db2.gz DOOKDNOCORYQMX-WCXIOVBPSA-N 2 1 350.507 0.869 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-n3cccn3)c2)CC[N@H+]1C ZINC001700793017 1289610705 /nfs/dbraw/zinc/61/07/05/1289610705.db2.gz XFCFSMBLZRZVGP-SZVBFZGTSA-N 2 1 371.485 0.779 10 0 FCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001738520986 1289694902 /nfs/dbraw/zinc/69/49/02/1289694902.db2.gz MOTNLGGYAIUTSJ-AQGROHODSA-N 2 1 350.507 0.990 10 0 FCAEMP CCC[NH+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001738520986 1289694913 /nfs/dbraw/zinc/69/49/13/1289694913.db2.gz MOTNLGGYAIUTSJ-AQGROHODSA-N 2 1 350.507 0.990 10 0 FCAEMP CCC[NH+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738520986 1289694921 /nfs/dbraw/zinc/69/49/21/1289694921.db2.gz MOTNLGGYAIUTSJ-AQGROHODSA-N 2 1 350.507 0.990 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001702207583 1289868384 /nfs/dbraw/zinc/86/83/84/1289868384.db2.gz NJMZCEZFVMQHEJ-MWDXBVQZSA-N 2 1 368.522 0.137 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001702207583 1289868396 /nfs/dbraw/zinc/86/83/96/1289868396.db2.gz NJMZCEZFVMQHEJ-MWDXBVQZSA-N 2 1 368.522 0.137 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001702207583 1289868410 /nfs/dbraw/zinc/86/84/10/1289868410.db2.gz NJMZCEZFVMQHEJ-MWDXBVQZSA-N 2 1 368.522 0.137 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001739387091 1289896915 /nfs/dbraw/zinc/89/69/15/1289896915.db2.gz MJDRTAHHKDXJPS-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001739520028 1290107745 /nfs/dbraw/zinc/10/77/45/1290107745.db2.gz HYJWXALHYHNWHI-RHSMWYFYSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001739520028 1290107747 /nfs/dbraw/zinc/10/77/47/1290107747.db2.gz HYJWXALHYHNWHI-RHSMWYFYSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001739520028 1290107751 /nfs/dbraw/zinc/10/77/51/1290107751.db2.gz HYJWXALHYHNWHI-RHSMWYFYSA-N 2 1 350.507 0.918 10 0 FCAEMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001739591855 1290209082 /nfs/dbraw/zinc/20/90/82/1290209082.db2.gz XJRBDTLSRVZJBK-BRWVUGGUSA-N 2 1 368.522 0.258 10 0 FCAEMP C[C@H]1CN(C(=O)Cc2csc(SCC[NH+](C)C)n2)CC[N@@H+]1CCO ZINC001625758332 1290366460 /nfs/dbraw/zinc/36/64/60/1290366460.db2.gz XBCMWBLYAQWNLU-ZDUSSCGKSA-N 2 1 372.560 0.864 10 0 FCAEMP C[C@H]1CN(C(=O)Cc2csc(SCC[NH+](C)C)n2)CC[N@H+]1CCO ZINC001625758332 1290366468 /nfs/dbraw/zinc/36/64/68/1290366468.db2.gz XBCMWBLYAQWNLU-ZDUSSCGKSA-N 2 1 372.560 0.864 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001656505522 1291535539 /nfs/dbraw/zinc/53/55/39/1291535539.db2.gz RYAXBVVLJMFZDH-WRANKLGHSA-N 2 1 359.898 0.913 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001656505522 1291535547 /nfs/dbraw/zinc/53/55/47/1291535547.db2.gz RYAXBVVLJMFZDH-WRANKLGHSA-N 2 1 359.898 0.913 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N(CC)C3CC3)C2)CC[N@@H+]1C ZINC001665283855 1291849616 /nfs/dbraw/zinc/84/96/16/1291849616.db2.gz KQDGGNOQACZSFO-DLBZAZTESA-N 2 1 350.507 0.776 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N(CC)C3CC3)C2)CC[N@H+]1C ZINC001665283855 1291849631 /nfs/dbraw/zinc/84/96/31/1291849631.db2.gz KQDGGNOQACZSFO-DLBZAZTESA-N 2 1 350.507 0.776 10 0 FCAEMP CC(C)C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001667085590 1291927328 /nfs/dbraw/zinc/92/73/28/1291927328.db2.gz BXMZJNRIPRAMIB-IXDOHACOSA-N 2 1 368.522 0.306 10 0 FCAEMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CCC1=O ZINC001667458117 1291937849 /nfs/dbraw/zinc/93/78/49/1291937849.db2.gz ICCLOMMPGHSTRF-KFWWJZLASA-N 2 1 352.479 0.206 10 0 FCAEMP C[C@H](C[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001669293151 1291989181 /nfs/dbraw/zinc/98/91/81/1291989181.db2.gz JYTUQAXUAHMYIE-MGPQQGTHSA-N 2 1 351.499 0.405 10 0 FCAEMP C[C@H](C[N@@H+](C)CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001669826505 1292004759 /nfs/dbraw/zinc/00/47/59/1292004759.db2.gz LAKZLUVVNQTDJY-BPLDGKMQSA-N 2 1 368.503 0.775 10 0 FCAEMP Cc1ncsc1CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671998592 1292055288 /nfs/dbraw/zinc/05/52/88/1292055288.db2.gz KPXKVDZWZUGWEL-RKVPGOIHSA-N 2 1 366.531 0.887 10 0 FCAEMP Cc1ncsc1CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671998592 1292055295 /nfs/dbraw/zinc/05/52/95/1292055295.db2.gz KPXKVDZWZUGWEL-RKVPGOIHSA-N 2 1 366.531 0.887 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCCO)C2)[C@@H](c2ccccc2)C1 ZINC001673315725 1292104459 /nfs/dbraw/zinc/10/44/59/1292104459.db2.gz AEFPRBUHZCDCHJ-OTWHNJEPSA-N 2 1 361.486 0.531 10 0 FCAEMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CCCNC(=O)C(F)(F)F ZINC001674931077 1292159577 /nfs/dbraw/zinc/15/95/77/1292159577.db2.gz IIXOMTRWDWFDNP-YNEHKIRRSA-N 2 1 366.428 0.832 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCCCC2)CC[N@H+]1C ZINC001676535642 1292207112 /nfs/dbraw/zinc/20/71/12/1292207112.db2.gz NCCDFBREHLYDPB-YESZJQIVSA-N 2 1 368.522 0.186 10 0 FCAEMP CCN1CC[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001677488837 1292236430 /nfs/dbraw/zinc/23/64/30/1292236430.db2.gz SWIDZXOVTPTVSP-BZUAXINKSA-N 2 1 354.495 0.012 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC001685121738 1292433287 /nfs/dbraw/zinc/43/32/87/1292433287.db2.gz TWTCYWHRQKDLIO-BRWVUGGUSA-N 2 1 368.522 0.212 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1C ZINC001685121738 1292433292 /nfs/dbraw/zinc/43/32/92/1292433292.db2.gz TWTCYWHRQKDLIO-BRWVUGGUSA-N 2 1 368.522 0.212 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1C ZINC001685121738 1292433295 /nfs/dbraw/zinc/43/32/95/1292433295.db2.gz TWTCYWHRQKDLIO-BRWVUGGUSA-N 2 1 368.522 0.212 10 0 FCAEMP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001685875699 1292672892 /nfs/dbraw/zinc/67/28/92/1292672892.db2.gz CUGCHTJCAGXFEI-BRWVUGGUSA-N 2 1 350.507 0.777 10 0 FCAEMP CN1CC[NH+](C(C)(C)CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747555447 836249724 /nfs/dbraw/zinc/24/97/24/836249724.db2.gz BWGMIUAJETWGBM-UHFFFAOYSA-N 2 1 351.499 0.592 10 0 FCAEMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(=O)N1CCCCC1 ZINC001277060373 861747707 /nfs/dbraw/zinc/74/77/07/861747707.db2.gz NNNWMPCCYQQXFE-BZUAXINKSA-N 2 1 350.507 0.966 10 0 FCAEMP 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ZINC001119845074 848001469 /nfs/dbraw/zinc/00/14/69/848001469.db2.gz JGEGFVLNWMQALC-CABCVRRESA-N 2 1 356.536 0.531 10 0 FCAEMP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136695244 849236220 /nfs/dbraw/zinc/23/62/20/849236220.db2.gz RJEDPXKPEJBBBQ-INIZCTEOSA-N 2 1 352.523 0.977 10 0 FCAEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCCNC(=O)C(F)(F)F ZINC001277825774 862118835 /nfs/dbraw/zinc/11/88/35/862118835.db2.gz GRNNOUBMLLPSIY-JHJVBQTASA-N 2 1 366.428 0.832 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCc2c(F)cccc2F)CC[N@H+]1C ZINC001278084552 862181373 /nfs/dbraw/zinc/18/13/73/862181373.db2.gz BWZVSFNKKURETF-MGPQQGTHSA-N 2 1 355.429 0.914 10 0 FCAEMP CC(C)NC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001278452803 862330481 /nfs/dbraw/zinc/33/04/81/862330481.db2.gz ORLCXKMBXRELIW-OAFZBRQQSA-N 2 1 350.507 0.964 10 0 FCAEMP CC(C)NC(=O)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001278452803 862330499 /nfs/dbraw/zinc/33/04/99/862330499.db2.gz ORLCXKMBXRELIW-OAFZBRQQSA-N 2 1 350.507 0.964 10 0 FCAEMP CC(C)NC(=O)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001278452803 862330517 /nfs/dbraw/zinc/33/05/17/862330517.db2.gz ORLCXKMBXRELIW-OAFZBRQQSA-N 2 1 350.507 0.964 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001278498750 862353387 /nfs/dbraw/zinc/35/33/87/862353387.db2.gz QGZYQTJCEVWEQQ-MDZRGWNJSA-N 2 1 350.507 0.777 10 0 FCAEMP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001251758862 857748517 /nfs/dbraw/zinc/74/85/17/857748517.db2.gz CHJWMSMJVPZLAI-MRXNPFEDSA-N 2 1 354.495 0.603 10 0 FCAEMP CC[N@@H+](C)[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001251758862 857748522 /nfs/dbraw/zinc/74/85/22/857748522.db2.gz CHJWMSMJVPZLAI-MRXNPFEDSA-N 2 1 354.495 0.603 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CCn2cc(Cl)cn2)CC[N@H+]1C ZINC001279717145 863022135 /nfs/dbraw/zinc/02/21/35/863022135.db2.gz JEGKRKCFSDMPCR-UKRRQHHQSA-N 2 1 357.886 0.287 10 0 FCAEMP CCN1CC[NH+](CCC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC001263923907 859243972 /nfs/dbraw/zinc/24/39/72/859243972.db2.gz JFCJAUXJNDTHBV-UHFFFAOYSA-N 2 1 352.523 0.774 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001263932871 859248915 /nfs/dbraw/zinc/24/89/15/859248915.db2.gz CGVVBWZNKVDFIO-LSDHHAIUSA-N 2 1 352.479 0.350 10 0 FCAEMP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001264148806 859327780 /nfs/dbraw/zinc/32/77/80/859327780.db2.gz PBCAREWQHYJQDB-CVEARBPZSA-N 2 1 350.507 0.966 10 0 FCAEMP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001264148806 859327793 /nfs/dbraw/zinc/32/77/93/859327793.db2.gz PBCAREWQHYJQDB-CVEARBPZSA-N 2 1 350.507 0.966 10 0 FCAEMP CC(=O)NCCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001264160187 859333993 /nfs/dbraw/zinc/33/39/93/859333993.db2.gz HFRLFRRNGBSPKR-INMHGKMJSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001264160187 859333996 /nfs/dbraw/zinc/33/39/96/859333996.db2.gz HFRLFRRNGBSPKR-INMHGKMJSA-N 2 1 354.495 0.060 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001264160187 859333997 /nfs/dbraw/zinc/33/39/97/859333997.db2.gz HFRLFRRNGBSPKR-INMHGKMJSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C2CC2)[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001265162442 859453289 /nfs/dbraw/zinc/45/32/89/859453289.db2.gz AIUKKNFGXZLDRS-BBWFWOEESA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C2CC2)[C@H]2CCCNC2=O)CC[NH+]1C ZINC001265162442 859453293 /nfs/dbraw/zinc/45/32/93/859453293.db2.gz AIUKKNFGXZLDRS-BBWFWOEESA-N 2 1 350.507 0.966 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C2CC2)[C@H]2CCCNC2=O)CC[NH+]1C ZINC001265162442 859453297 /nfs/dbraw/zinc/45/32/97/859453297.db2.gz AIUKKNFGXZLDRS-BBWFWOEESA-N 2 1 350.507 0.966 10 0 FCAEMP CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001265327394 859458792 /nfs/dbraw/zinc/45/87/92/859458792.db2.gz GQFRDAXPHZYUEM-XHSDSOJGSA-N 2 1 350.507 0.824 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[N@H+]1C ZINC001266138960 859472051 /nfs/dbraw/zinc/47/20/51/859472051.db2.gz ZGBIOPQQJDFWKZ-HLLBOEOZSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001266138960 859472054 /nfs/dbraw/zinc/47/20/54/859472054.db2.gz ZGBIOPQQJDFWKZ-HLLBOEOZSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)CC[NH+]1C ZINC001266138960 859472060 /nfs/dbraw/zinc/47/20/60/859472060.db2.gz ZGBIOPQQJDFWKZ-HLLBOEOZSA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@H](C[NH2+]Cc1nnnn1C(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063371 859522806 /nfs/dbraw/zinc/52/28/06/859522806.db2.gz KPXSTXDYSWWHSN-MGPQQGTHSA-N 2 1 351.499 0.705 10 0 FCAEMP C[C@H](C[NH2+]Cc1nnnn1C(C)(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268063371 859522811 /nfs/dbraw/zinc/52/28/11/859522811.db2.gz KPXSTXDYSWWHSN-MGPQQGTHSA-N 2 1 351.499 0.705 10 0 FCAEMP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268063929 859522937 /nfs/dbraw/zinc/52/29/37/859522937.db2.gz NXFIPNKCTLYJGC-RRFJBIMHSA-N 2 1 362.540 0.045 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001268367327 859531797 /nfs/dbraw/zinc/53/17/97/859531797.db2.gz UUXZRATWDKWIAN-HZSPNIEDSA-N 2 1 352.483 0.850 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001268367327 859531804 /nfs/dbraw/zinc/53/18/04/859531804.db2.gz UUXZRATWDKWIAN-HZSPNIEDSA-N 2 1 352.483 0.850 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccns3)C2)CC[N@@H+]1C ZINC001271146962 859905610 /nfs/dbraw/zinc/90/56/10/859905610.db2.gz YZFYTJHHJRVAEA-ZMSDIMECSA-N 2 1 352.504 0.926 10 0 FCAEMP 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Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001272168557 860105638 /nfs/dbraw/zinc/10/56/38/860105638.db2.gz KURNJQLSOFPTKX-OUCADQQQSA-N 2 1 355.508 0.658 10 0 FCAEMP Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001272168557 860105641 /nfs/dbraw/zinc/10/56/41/860105641.db2.gz KURNJQLSOFPTKX-OUCADQQQSA-N 2 1 355.508 0.658 10 0 FCAEMP C[C@@H](CC[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272780911 860256342 /nfs/dbraw/zinc/25/63/42/860256342.db2.gz CYHMMHFTNIOPFR-RRFJBIMHSA-N 2 1 359.536 0.636 10 0 FCAEMP C[C@H](CC[NH2+]CC(=O)N(C)c1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272782024 860256637 /nfs/dbraw/zinc/25/66/37/860256637.db2.gz LCWNVOZPZFDQMK-MGPQQGTHSA-N 2 1 367.519 0.931 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)CC[N@H+]1C ZINC001280758993 863447261 /nfs/dbraw/zinc/44/72/61/863447261.db2.gz BUXBBQSUVPECHE-KLHDSHLOSA-N 2 1 350.507 0.679 10 0 FCAEMP 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CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001281962182 864003464 /nfs/dbraw/zinc/00/34/64/864003464.db2.gz WOJQTHYUOSEJSR-BZUAXINKSA-N 2 1 350.507 0.728 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001281962182 864003478 /nfs/dbraw/zinc/00/34/78/864003478.db2.gz WOJQTHYUOSEJSR-BZUAXINKSA-N 2 1 350.507 0.728 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001282447835 864266436 /nfs/dbraw/zinc/26/64/36/864266436.db2.gz WMGIFARDVGMRQN-APWZRJJASA-N 2 1 352.523 0.977 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001282790229 864443667 /nfs/dbraw/zinc/44/36/67/864443667.db2.gz ZCPAJOZSLMNSPZ-ZACQAIPSSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001289001141 864841623 /nfs/dbraw/zinc/84/16/23/864841623.db2.gz NFEVJFFXBSDPGZ-IXDOHACOSA-N 2 1 350.507 0.729 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001290835779 865526862 /nfs/dbraw/zinc/52/68/62/865526862.db2.gz QQQWOFFIHZXRRD-MDZRGWNJSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001290927735 865559569 /nfs/dbraw/zinc/55/95/69/865559569.db2.gz SCQWXBRHUOREOM-OWCLPIDISA-N 2 1 350.507 0.633 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001292003125 865666124 /nfs/dbraw/zinc/66/61/24/865666124.db2.gz XKXLPOCEOFJUEW-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001292003125 865666134 /nfs/dbraw/zinc/66/61/34/865666134.db2.gz XKXLPOCEOFJUEW-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001292003125 865666140 /nfs/dbraw/zinc/66/61/40/865666140.db2.gz XKXLPOCEOFJUEW-NCOADZHNSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001295122509 865881136 /nfs/dbraw/zinc/88/11/36/865881136.db2.gz IRAQEGOIDBBCHH-YHUYYLMFSA-N 2 1 354.495 0.058 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001298610512 866121438 /nfs/dbraw/zinc/12/14/38/866121438.db2.gz TXTSFMPVCTZCDX-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001298610512 866121448 /nfs/dbraw/zinc/12/14/48/866121448.db2.gz TXTSFMPVCTZCDX-OWCLPIDISA-N 2 1 354.495 0.060 10 0 FCAEMP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316651050 867373461 /nfs/dbraw/zinc/37/34/61/867373461.db2.gz LWIXWODENYPMGE-QKPAOTATSA-N 2 1 374.551 0.140 10 0 FCAEMP CN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)C1CC1 ZINC001316655425 867377643 /nfs/dbraw/zinc/37/76/43/867377643.db2.gz PEQLEJDHRSQFIU-UXLLHSPISA-N 2 1 350.507 0.966 10 0 FCAEMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001316665519 867385279 /nfs/dbraw/zinc/38/52/79/867385279.db2.gz YXEXPSKVMDSGCP-MELADBBJSA-N 2 1 355.483 0.047 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001316710096 867415723 /nfs/dbraw/zinc/41/57/23/867415723.db2.gz UYVFLQUFOWJXSP-ILXRZTDVSA-N 2 1 352.479 0.350 10 0 FCAEMP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001316738760 867435253 /nfs/dbraw/zinc/43/52/53/867435253.db2.gz ILZQNWBVIHLAIB-MJBXVCDLSA-N 2 1 355.483 0.141 10 0 FCAEMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001316738760 867435261 /nfs/dbraw/zinc/43/52/61/867435261.db2.gz ILZQNWBVIHLAIB-MJBXVCDLSA-N 2 1 355.483 0.141 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC001354151353 867554055 /nfs/dbraw/zinc/55/40/55/867554055.db2.gz MZNYXGXSEBIUIU-ZNFSNMQZSA-N 2 1 350.507 0.632 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001317787681 867558498 /nfs/dbraw/zinc/55/84/98/867558498.db2.gz HKHPISLMDZWKIX-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001317787681 867558507 /nfs/dbraw/zinc/55/85/07/867558507.db2.gz HKHPISLMDZWKIX-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)CC[NH+]1C ZINC001317787681 867558515 /nfs/dbraw/zinc/55/85/15/867558515.db2.gz HKHPISLMDZWKIX-OWCLPIDISA-N 2 1 359.536 0.590 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001317819164 867561726 /nfs/dbraw/zinc/56/17/26/867561726.db2.gz SBEKHAAPBGXRGF-KZNAEPCWSA-N 2 1 352.523 0.439 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001319070003 867820475 /nfs/dbraw/zinc/82/04/75/867820475.db2.gz USOFVHDHZDNHFP-JHJVBQTASA-N 2 1 366.491 0.397 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC001321751567 868598670 /nfs/dbraw/zinc/59/86/70/868598670.db2.gz JXDOFCHFVQZNJY-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001326279874 870240676 /nfs/dbraw/zinc/24/06/76/870240676.db2.gz ZYKXFNWKITWOGU-YXAMBPQSSA-N 2 1 350.438 0.929 10 0 FCAEMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001326279874 870240683 /nfs/dbraw/zinc/24/06/83/870240683.db2.gz ZYKXFNWKITWOGU-YXAMBPQSSA-N 2 1 350.438 0.929 10 0 FCAEMP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001326560315 870382508 /nfs/dbraw/zinc/38/25/08/870382508.db2.gz JDOHTQMEHXNSLV-GDBMZVCRSA-N 2 1 354.495 0.155 10 0 FCAEMP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001344284903 870804650 /nfs/dbraw/zinc/80/46/50/870804650.db2.gz OGLGYZASRZTWLW-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP 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C[NH+]1C[C@@H]2CC[C@H](NC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC001345479698 871370902 /nfs/dbraw/zinc/37/09/02/871370902.db2.gz VGAHVWSLQYTSCN-JONQDZQNSA-N 2 1 351.495 0.213 10 0 FCAEMP COC(=O)N1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC001328630283 871550498 /nfs/dbraw/zinc/55/04/98/871550498.db2.gz PLWNVFRZFDZOSX-HNNXBMFYSA-N 2 1 357.499 0.742 10 0 FCAEMP COC(=O)N1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC001328630283 871550502 /nfs/dbraw/zinc/55/05/02/871550502.db2.gz PLWNVFRZFDZOSX-HNNXBMFYSA-N 2 1 357.499 0.742 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cn1 ZINC001329953401 872384814 /nfs/dbraw/zinc/38/48/14/872384814.db2.gz YRKBLKYUWDDMLB-JTQLQIEISA-N 2 1 356.308 0.520 10 0 FCAEMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001348865502 872817052 /nfs/dbraw/zinc/81/70/52/872817052.db2.gz WLJQSGFFPHHMRW-CRAIPNDOSA-N 2 1 350.507 0.382 10 0 FCAEMP COCCNC(=O)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001332013819 873335308 /nfs/dbraw/zinc/33/53/08/873335308.db2.gz QMPLRODFKPDDLD-OAHLLOKOSA-N 2 1 350.467 0.177 10 0 FCAEMP C[N@@H+]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC001332505176 873533109 /nfs/dbraw/zinc/53/31/09/873533109.db2.gz IXQYAVSOCNFCHB-OAHLLOKOSA-N 2 1 351.499 0.562 10 0 FCAEMP C[N@H+]1CCN(c2nnnn2CCC[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC001332505176 873533117 /nfs/dbraw/zinc/53/31/17/873533117.db2.gz IXQYAVSOCNFCHB-OAHLLOKOSA-N 2 1 351.499 0.562 10 0 FCAEMP CC(C)[NH+]1CCN(CCC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001332694188 873618283 /nfs/dbraw/zinc/61/82/83/873618283.db2.gz HSFDINLWKDNRCG-SFHVURJKSA-N 2 1 352.523 0.460 10 0 FCAEMP CC(C)N1CC[NH+](CCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001332694188 873618284 /nfs/dbraw/zinc/61/82/84/873618284.db2.gz HSFDINLWKDNRCG-SFHVURJKSA-N 2 1 352.523 0.460 10 0 FCAEMP CC(C)N1CC[NH+](CCC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001332694188 873618287 /nfs/dbraw/zinc/61/82/87/873618287.db2.gz 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BVCPKJSYLVQLDR-SYAUCNOPSA-N 2 1 366.531 0.281 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CO)CC1)[NH+]1CCC[C@H](CO)CC1 ZINC000930590206 674042699 /nfs/dbraw/zinc/04/26/99/674042699.db2.gz SAWYFFDYQMPIJV-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](CO)CC1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000930590206 674042703 /nfs/dbraw/zinc/04/27/03/674042703.db2.gz SAWYFFDYQMPIJV-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CCC[C@@H](CO)CC1)[N@H+]1CCC[C@H](CO)CC1 ZINC000930590206 674042707 /nfs/dbraw/zinc/04/27/07/674042707.db2.gz SAWYFFDYQMPIJV-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=CC[NH+](C)CC1 ZINC000930652395 674046326 /nfs/dbraw/zinc/04/63/26/674046326.db2.gz JVJLIRLPCZAIEJ-IMJJTQAJSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1=CC[NH+](C)CC1 ZINC000930652395 674046331 /nfs/dbraw/zinc/04/63/31/674046331.db2.gz JVJLIRLPCZAIEJ-IMJJTQAJSA-N 2 1 366.531 0.449 10 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ZINC000562960429 491203784 /nfs/dbraw/zinc/20/37/84/491203784.db2.gz VBXYFNVNJDVYGP-ZWKOTPCHSA-N 2 1 358.486 0.917 10 0 FCAEMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000261618363 488527473 /nfs/dbraw/zinc/52/74/73/488527473.db2.gz FUGFUNLTBPERBS-DZGCQCFKSA-N 2 1 350.438 0.790 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1=O ZINC000261682524 488530571 /nfs/dbraw/zinc/53/05/71/488530571.db2.gz DLNGZDDQJLNBLN-MHORFTMASA-N 2 1 362.518 0.777 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261905069 488541174 /nfs/dbraw/zinc/54/11/74/488541174.db2.gz SCRRLLYSKFUBSU-HOTGVXAUSA-N 2 1 372.473 0.076 10 0 FCAEMP CC[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000114456638 488541317 /nfs/dbraw/zinc/54/13/17/488541317.db2.gz YTPXHJHAMWXNTB-AEFFLSMTSA-N 2 1 354.539 0.752 10 0 FCAEMP C[C@]1(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)NC(=O)NC1=O ZINC000262053827 488548022 /nfs/dbraw/zinc/54/80/22/488548022.db2.gz ZXFMUTWOEDZOMS-TVKQPGBESA-N 2 1 372.469 0.988 10 0 FCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000262171406 488555086 /nfs/dbraw/zinc/55/50/86/488555086.db2.gz VDAYSDVACXSEJX-WBVHZDCISA-N 2 1 369.893 0.721 10 0 FCAEMP CCC1(CO)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000128351433 488623846 /nfs/dbraw/zinc/62/38/46/488623846.db2.gz RHVCUFFACPHLRZ-QGZVFWFLSA-N 2 1 355.523 0.944 10 0 FCAEMP COCC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000141682147 488688867 /nfs/dbraw/zinc/68/88/67/488688867.db2.gz BHSGEFLUWVCAIO-UHFFFAOYSA-N 2 1 363.506 0.859 10 0 FCAEMP CCC[C@H](C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000152967324 488725849 /nfs/dbraw/zinc/72/58/49/488725849.db2.gz PJDJRNRETWSDDK-ZWKOTPCHSA-N 2 1 354.539 0.970 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2F)CC1 ZINC000162422741 488802919 /nfs/dbraw/zinc/80/29/19/488802919.db2.gz RNPPQSDCVZWPSM-INIZCTEOSA-N 2 1 363.481 0.683 10 0 FCAEMP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000168400196 488812816 /nfs/dbraw/zinc/81/28/16/488812816.db2.gz AGSVUETUWNSFRK-KRWDZBQOSA-N 2 1 360.458 0.117 10 0 FCAEMP C[NH+]1CCN(c2cc(CNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000171900444 488828374 /nfs/dbraw/zinc/82/83/74/488828374.db2.gz VQZSCWSEVULCIJ-QGZVFWFLSA-N 2 1 358.490 0.823 10 0 FCAEMP COCCC[N@H+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172669677 488836731 /nfs/dbraw/zinc/83/67/31/488836731.db2.gz MLZTXYYIGZOKCR-UHFFFAOYSA-N 2 1 351.495 0.717 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172669677 488836732 /nfs/dbraw/zinc/83/67/32/488836732.db2.gz MLZTXYYIGZOKCR-UHFFFAOYSA-N 2 1 351.495 0.717 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175114562 488853215 /nfs/dbraw/zinc/85/32/15/488853215.db2.gz MRHVHPGKOVAGJK-CVEARBPZSA-N 2 1 363.510 0.650 10 0 FCAEMP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccn2)CC1 ZINC000178105437 488860069 /nfs/dbraw/zinc/86/00/69/488860069.db2.gz BIEHKOKFYDHCKS-QGZVFWFLSA-N 2 1 373.501 0.628 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181738946 488863715 /nfs/dbraw/zinc/86/37/15/488863715.db2.gz NOEAYXOIHVMIJM-WMZOPIPTSA-N 2 1 370.538 0.831 10 0 FCAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000570566775 491250151 /nfs/dbraw/zinc/25/01/51/491250151.db2.gz INSDLVIYSFGYTR-KFWWJZLASA-N 2 1 364.494 0.820 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000363099960 489424008 /nfs/dbraw/zinc/42/40/08/489424008.db2.gz QNEOGSLAXACVLX-GOSISDBHSA-N 3 1 354.539 0.733 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000451668402 489516336 /nfs/dbraw/zinc/51/63/36/489516336.db2.gz LBLPQTPBKWZYAW-INIZCTEOSA-N 2 1 355.504 0.873 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000451668402 489516338 /nfs/dbraw/zinc/51/63/38/489516338.db2.gz LBLPQTPBKWZYAW-INIZCTEOSA-N 2 1 355.504 0.873 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425843350 489533236 /nfs/dbraw/zinc/53/32/36/489533236.db2.gz ODRLMUHQZYQZJP-SJORKVTESA-N 2 1 367.538 0.912 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC[NH+]1CCC(O)CC1 ZINC000456585753 489620560 /nfs/dbraw/zinc/62/05/60/489620560.db2.gz JITVFRICBBNOHO-UHFFFAOYSA-N 2 1 360.502 0.377 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOC3(CCOCC3)C2)C1 ZINC000372748612 489632608 /nfs/dbraw/zinc/63/26/08/489632608.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 1 369.506 0.341 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCOC3(CCOCC3)C2)C1 ZINC000372748612 489632611 /nfs/dbraw/zinc/63/26/11/489632611.db2.gz RKWTZMUKIIFMNY-QGZVFWFLSA-N 2 1 369.506 0.341 10 0 FCAEMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417394626 489650943 /nfs/dbraw/zinc/65/09/43/489650943.db2.gz VOAVCZFOILHZHI-HKUYNNGSSA-N 2 1 372.517 0.987 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@H]1c1ccccc1 ZINC000417932970 489671997 /nfs/dbraw/zinc/67/19/97/489671997.db2.gz DJDPFXVRCPBVQC-FGTMMUONSA-N 2 1 373.501 0.928 10 0 FCAEMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000458244529 489675302 /nfs/dbraw/zinc/67/53/02/489675302.db2.gz UBQMEUUPPJTPRR-KRWDZBQOSA-N 2 1 356.511 0.633 10 0 FCAEMP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000373178810 489677100 /nfs/dbraw/zinc/67/71/00/489677100.db2.gz IRZNTSGVTKNLGE-WMZOPIPTSA-N 2 1 371.522 0.275 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418679266 489718295 /nfs/dbraw/zinc/71/82/95/489718295.db2.gz WVDQIRSWVIYOBC-ABHNRTSZSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)NC1CCC([NH+]2CCNCC2)CC1 ZINC000418679266 489718305 /nfs/dbraw/zinc/71/83/05/489718305.db2.gz WVDQIRSWVIYOBC-ABHNRTSZSA-N 2 1 367.538 0.349 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000418808020 489732564 /nfs/dbraw/zinc/73/25/64/489732564.db2.gz DNWKIMARKBOBQB-KRWDZBQOSA-N 2 1 368.428 0.868 10 0 FCAEMP C[C@@]1(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000418808020 489732570 /nfs/dbraw/zinc/73/25/70/489732570.db2.gz DNWKIMARKBOBQB-KRWDZBQOSA-N 2 1 368.428 0.868 10 0 FCAEMP C[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000418816488 489736533 /nfs/dbraw/zinc/73/65/33/489736533.db2.gz LUXNZSNOKZYDPM-LVCYWYKZSA-N 2 1 370.497 0.835 10 0 FCAEMP C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000570962430 491276761 /nfs/dbraw/zinc/27/67/61/491276761.db2.gz CKBHYRMVOFHMMD-NXHRZFHOSA-N 2 1 374.485 0.385 10 0 FCAEMP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)CC1 ZINC000418874585 489769976 /nfs/dbraw/zinc/76/99/76/489769976.db2.gz JGEOONWYUWXSRF-QGZVFWFLSA-N 2 1 374.485 0.769 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418877622 489771490 /nfs/dbraw/zinc/77/14/90/489771490.db2.gz JRKJKCUHZQNESP-IAGOWNOFSA-N 2 1 360.458 0.506 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418877622 489771495 /nfs/dbraw/zinc/77/14/95/489771495.db2.gz JRKJKCUHZQNESP-IAGOWNOFSA-N 2 1 360.458 0.506 10 0 FCAEMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418879891 489772561 /nfs/dbraw/zinc/77/25/61/489772561.db2.gz OCMDQOMXIHSLMY-ZWKOTPCHSA-N 2 1 374.485 0.815 10 0 FCAEMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000418879891 489772564 /nfs/dbraw/zinc/77/25/64/489772564.db2.gz OCMDQOMXIHSLMY-ZWKOTPCHSA-N 2 1 374.485 0.815 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418882797 489773497 /nfs/dbraw/zinc/77/34/97/489773497.db2.gz UFMXFAJAYVZSRJ-CSMYWGQOSA-N 2 1 360.458 0.553 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N[C@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418882797 489773503 /nfs/dbraw/zinc/77/35/03/489773503.db2.gz UFMXFAJAYVZSRJ-CSMYWGQOSA-N 2 1 360.458 0.553 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418883333 489774799 /nfs/dbraw/zinc/77/47/99/489774799.db2.gz UXYMPHOULCJGEH-RDJZCZTQSA-N 2 1 362.474 0.420 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418883936 489774958 /nfs/dbraw/zinc/77/49/58/489774958.db2.gz VXYRKSZLEAVHHP-IRXDYDNUSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418883936 489774961 /nfs/dbraw/zinc/77/49/61/489774961.db2.gz VXYRKSZLEAVHHP-IRXDYDNUSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418885599 489775213 /nfs/dbraw/zinc/77/52/13/489775213.db2.gz ZBKKCZMOYNUCCE-DOPJRALCSA-N 2 1 374.485 0.800 10 0 FCAEMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418885599 489775218 /nfs/dbraw/zinc/77/52/18/489775218.db2.gz ZBKKCZMOYNUCCE-DOPJRALCSA-N 2 1 374.485 0.800 10 0 FCAEMP CN1CC[C@@H](NC(=O)C(=O)N2CCNCC2)[C@H]1c1ccc(Cl)cc1 ZINC000418899119 489780884 /nfs/dbraw/zinc/78/08/84/489780884.db2.gz BMAURERCPISJOI-HUUCEWRRSA-N 2 1 350.850 0.633 10 0 FCAEMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000419004308 489815018 /nfs/dbraw/zinc/81/50/18/489815018.db2.gz QYLLQDUBRWMHDU-SFHVURJKSA-N 2 1 373.501 0.793 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419025100 489822882 /nfs/dbraw/zinc/82/28/82/489822882.db2.gz LSGHHZKNUUKMGF-QXSJWSMHSA-N 2 1 352.523 0.973 10 0 FCAEMP CCC[C@]1(CO)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000377503155 489912671 /nfs/dbraw/zinc/91/26/71/489912671.db2.gz BCRJVEBHNXXSSE-MJGOQNOKSA-N 2 1 355.523 0.944 10 0 FCAEMP CCC[C@]1(CO)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000377503155 489912674 /nfs/dbraw/zinc/91/26/74/489912674.db2.gz BCRJVEBHNXXSSE-MJGOQNOKSA-N 2 1 355.523 0.944 10 0 FCAEMP CCC[C@]1(CO)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000377503155 489912675 /nfs/dbraw/zinc/91/26/75/489912675.db2.gz BCRJVEBHNXXSSE-MJGOQNOKSA-N 2 1 355.523 0.944 10 0 FCAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1(C)C ZINC000564082960 491287931 /nfs/dbraw/zinc/28/79/31/491287931.db2.gz DMZHUBPMZNGCDH-FCJNSDPXSA-N 2 1 352.523 0.852 10 0 FCAEMP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420178858 489942856 /nfs/dbraw/zinc/94/28/56/489942856.db2.gz BBLJCWAEHPHEAW-MSOLQXFVSA-N 2 1 374.485 0.214 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377728191 489948211 /nfs/dbraw/zinc/94/82/11/489948211.db2.gz VTYRAQOUSQJWDN-IEBWSBKVSA-N 2 1 355.523 0.800 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377728191 489948216 /nfs/dbraw/zinc/94/82/16/489948216.db2.gz VTYRAQOUSQJWDN-IEBWSBKVSA-N 2 1 355.523 0.800 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377728191 489948218 /nfs/dbraw/zinc/94/82/18/489948218.db2.gz VTYRAQOUSQJWDN-IEBWSBKVSA-N 2 1 355.523 0.800 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420210115 489953896 /nfs/dbraw/zinc/95/38/96/489953896.db2.gz NBRKBLRNYTYHDJ-DMRKSPOLSA-N 2 1 350.507 0.870 10 0 FCAEMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000377768249 489955555 /nfs/dbraw/zinc/95/55/55/489955555.db2.gz IUGPEDBHRADBKC-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000377768249 489955558 /nfs/dbraw/zinc/95/55/58/489955558.db2.gz IUGPEDBHRADBKC-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000377768249 489955561 /nfs/dbraw/zinc/95/55/61/489955561.db2.gz IUGPEDBHRADBKC-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000378247209 490033248 /nfs/dbraw/zinc/03/32/48/490033248.db2.gz KCNDIRWSFOIAFB-QBPKDAKJSA-N 2 1 359.536 0.842 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1=O ZINC000464921723 490072918 /nfs/dbraw/zinc/07/29/18/490072918.db2.gz OHQNEZDUWIECQH-GVDBMIGSSA-N 2 1 350.507 0.872 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465946946 490155836 /nfs/dbraw/zinc/15/58/36/490155836.db2.gz HCDGOMCDUJDKBI-KRWDZBQOSA-N 2 1 367.538 0.995 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000465957512 490158035 /nfs/dbraw/zinc/15/80/35/490158035.db2.gz RMAPYXFCFLOARP-BZUAXINKSA-N 2 1 353.511 0.698 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000465957512 490158039 /nfs/dbraw/zinc/15/80/39/490158039.db2.gz RMAPYXFCFLOARP-BZUAXINKSA-N 2 1 353.511 0.698 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000465957512 490158045 /nfs/dbraw/zinc/15/80/45/490158045.db2.gz RMAPYXFCFLOARP-BZUAXINKSA-N 2 1 353.511 0.698 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000571387106 491304110 /nfs/dbraw/zinc/30/41/10/491304110.db2.gz CFWUPEVLVBJJFG-AWEZNQCLSA-N 2 1 370.457 0.973 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520827203 490195577 /nfs/dbraw/zinc/19/55/77/490195577.db2.gz PJNCPLVJOKMRJI-MRXNPFEDSA-N 2 1 354.495 0.204 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422246695 490207963 /nfs/dbraw/zinc/20/79/63/490207963.db2.gz TYBZXMAQIZDBNC-UHFFFAOYSA-N 2 1 353.511 0.665 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000408029281 490216383 /nfs/dbraw/zinc/21/63/83/490216383.db2.gz SSBVCGASNBRPNV-IAGOWNOFSA-N 2 1 353.488 0.842 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000408029281 490216393 /nfs/dbraw/zinc/21/63/93/490216393.db2.gz SSBVCGASNBRPNV-IAGOWNOFSA-N 2 1 353.488 0.842 10 0 FCAEMP COCC[C@@]1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 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BDPZRURKOYOHMB-KSZLIROESA-N 2 1 362.518 0.872 10 0 FCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000408370648 490318242 /nfs/dbraw/zinc/31/82/42/490318242.db2.gz NYUVDGUHCHSIEG-GOEBONIOSA-N 2 1 374.489 0.783 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448261500 490324716 /nfs/dbraw/zinc/32/47/16/490324716.db2.gz QBURKCKAUCVGMO-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448261500 490324724 /nfs/dbraw/zinc/32/47/24/490324724.db2.gz QBURKCKAUCVGMO-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP CC(C)[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508528432 490336217 /nfs/dbraw/zinc/33/62/17/490336217.db2.gz MNWJAFANFAXMSR-KURKYZTESA-N 2 1 354.539 0.826 10 0 FCAEMP C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000547750486 490351940 /nfs/dbraw/zinc/35/19/40/490351940.db2.gz WEEQHKVRNZBYOJ-OAHLLOKOSA-N 2 1 352.523 0.506 10 0 FCAEMP 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C[NH+]1CCC(CNC(=O)c2ccc3nnnn3c2)(N2CCCCC2)CC1 ZINC000532335430 490991263 /nfs/dbraw/zinc/99/12/63/490991263.db2.gz MNDNPSZAXUINEA-UHFFFAOYSA-N 2 1 357.462 0.804 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3ncc[nH]3)CC2)C1 ZINC000569496196 491164414 /nfs/dbraw/zinc/16/44/14/491164414.db2.gz OLMJLCZINOUEAW-MRXNPFEDSA-N 3 1 364.494 0.005 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000557493617 491377872 /nfs/dbraw/zinc/37/78/72/491377872.db2.gz PYRHESPOORCDQL-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000557493617 491377874 /nfs/dbraw/zinc/37/78/74/491377874.db2.gz PYRHESPOORCDQL-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000557493617 491377875 /nfs/dbraw/zinc/37/78/75/491377875.db2.gz PYRHESPOORCDQL-HOTGVXAUSA-N 2 1 354.495 0.014 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000557493416 491378289 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O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642226557 492343145 /nfs/dbraw/zinc/34/31/45/492343145.db2.gz MCFOQVDFUGSHOC-GOSISDBHSA-N 2 1 374.485 0.393 10 0 FCAEMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000642439442 492358018 /nfs/dbraw/zinc/35/80/18/492358018.db2.gz HHGMOEVRMOZIEY-SJORKVTESA-N 2 1 359.474 0.545 10 0 FCAEMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000654907231 492375215 /nfs/dbraw/zinc/37/52/15/492375215.db2.gz XUCOYIZVOQTCRQ-DLBZAZTESA-N 2 1 360.458 0.007 10 0 FCAEMP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785804 492391671 /nfs/dbraw/zinc/39/16/71/492391671.db2.gz LSQZDRVMRSMYON-QGZVFWFLSA-N 2 1 359.474 0.278 10 0 FCAEMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000642898384 492398192 /nfs/dbraw/zinc/39/81/92/492398192.db2.gz QJAGPOLCYUUUBZ-YJBOKZPZSA-N 2 1 358.486 0.963 10 0 FCAEMP CC1(C)CN(CC(=O)N2CC3CN(C(=O)C[NH+]4CC(C)(C)C4)CC3C2)C1 ZINC000655115874 492404726 /nfs/dbraw/zinc/40/47/26/492404726.db2.gz AQIFKSYCWDYQPS-UHFFFAOYSA-N 2 1 362.518 0.587 10 0 FCAEMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642980403 492410656 /nfs/dbraw/zinc/41/06/56/492410656.db2.gz CKFGRILIJSLXIR-ROUUACIJSA-N 2 1 358.486 0.978 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000642983405 492411526 /nfs/dbraw/zinc/41/15/26/492411526.db2.gz KUZHIBBNNSGSNQ-BPQIPLTHSA-N 2 1 358.486 0.834 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000655246258 492420451 /nfs/dbraw/zinc/42/04/51/492420451.db2.gz FJYHGAQJLZECML-LUKYLMHMSA-N 2 1 350.507 0.776 10 0 FCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655446919 492443948 /nfs/dbraw/zinc/44/39/48/492443948.db2.gz NDYDUUUGYNGZDA-YLJYHZDGSA-N 2 1 362.518 0.779 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000628051561 492452359 /nfs/dbraw/zinc/45/23/59/492452359.db2.gz JGDPMGXZGUXUHT-GJZGRUSLSA-N 2 1 364.494 0.161 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000628051561 492452362 /nfs/dbraw/zinc/45/23/62/492452362.db2.gz JGDPMGXZGUXUHT-GJZGRUSLSA-N 2 1 364.494 0.161 10 0 FCAEMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655912351 492486623 /nfs/dbraw/zinc/48/66/23/492486623.db2.gz UBOGKMYCETXGMB-LBPRGKRZSA-N 2 1 365.400 0.072 10 0 FCAEMP CN(CCN1CC[NH2+]CC1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000649271753 492516350 /nfs/dbraw/zinc/51/63/50/492516350.db2.gz WBNSYMXXRSDWJH-UHFFFAOYSA-N 2 1 359.518 0.168 10 0 FCAEMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000656028427 492521001 /nfs/dbraw/zinc/52/10/01/492521001.db2.gz LARMRCYEDNJCDN-KZNAEPCWSA-N 2 1 371.485 0.688 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000656028427 492521004 /nfs/dbraw/zinc/52/10/04/492521004.db2.gz LARMRCYEDNJCDN-KZNAEPCWSA-N 2 1 371.485 0.688 10 0 FCAEMP C[N@@H+]1CCC[C@@H](NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000623158306 492522587 /nfs/dbraw/zinc/52/25/87/492522587.db2.gz LZHJKICSGWFLMY-QGZVFWFLSA-N 2 1 360.506 0.987 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000623158306 492522593 /nfs/dbraw/zinc/52/25/93/492522593.db2.gz LZHJKICSGWFLMY-QGZVFWFLSA-N 2 1 360.506 0.987 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656042840 492523717 /nfs/dbraw/zinc/52/37/17/492523717.db2.gz VURNSTCLMLKIDV-HLLBOEOZSA-N 2 1 374.485 0.625 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414941 492552085 /nfs/dbraw/zinc/55/20/85/492552085.db2.gz ALOADONPZZGNQM-SQNIBIBYSA-N 2 1 372.517 0.978 10 0 FCAEMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414941 492552089 /nfs/dbraw/zinc/55/20/89/492552089.db2.gz ALOADONPZZGNQM-SQNIBIBYSA-N 2 1 372.517 0.978 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000649417620 492553377 /nfs/dbraw/zinc/55/33/77/492553377.db2.gz CTRRWJKTGKZAFG-MOPGFXCFSA-N 3 1 366.550 0.781 10 0 FCAEMP COC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744768 492578198 /nfs/dbraw/zinc/57/81/98/492578198.db2.gz NINZTOWVKVEDDS-VNTMZGSJSA-N 2 1 364.486 0.850 10 0 FCAEMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656306020 492580822 /nfs/dbraw/zinc/58/08/22/492580822.db2.gz VRNZXZDBKNZYGW-YESZJQIVSA-N 2 1 366.506 0.035 10 0 FCAEMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656306020 492580827 /nfs/dbraw/zinc/58/08/27/492580827.db2.gz VRNZXZDBKNZYGW-YESZJQIVSA-N 2 1 366.506 0.035 10 0 FCAEMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656306020 492580832 /nfs/dbraw/zinc/58/08/32/492580832.db2.gz VRNZXZDBKNZYGW-YESZJQIVSA-N 2 1 366.506 0.035 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2F)CC1 ZINC000629174200 492582863 /nfs/dbraw/zinc/58/28/63/492582863.db2.gz MXJVDXVUWSRQSR-MRXNPFEDSA-N 2 1 364.465 0.764 10 0 FCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2F)CC1 ZINC000629174200 492582866 /nfs/dbraw/zinc/58/28/66/492582866.db2.gz MXJVDXVUWSRQSR-MRXNPFEDSA-N 2 1 364.465 0.764 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CC[NH+]2CCCCC2)C1 ZINC000649886524 492594594 /nfs/dbraw/zinc/59/45/94/492594594.db2.gz FYUCEXGJBLDYSW-SFHVURJKSA-N 2 1 354.539 0.877 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1=O ZINC000650303841 492629443 /nfs/dbraw/zinc/62/94/43/492629443.db2.gz SQGVNROGFGKFOR-SFHVURJKSA-N 2 1 358.486 0.883 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000650304832 492630024 /nfs/dbraw/zinc/63/00/24/492630024.db2.gz BEPSYQNCHKXRSN-SFHVURJKSA-N 2 1 374.485 0.120 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000650304832 492630026 /nfs/dbraw/zinc/63/00/26/492630026.db2.gz BEPSYQNCHKXRSN-SFHVURJKSA-N 2 1 374.485 0.120 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCC[N@H+](C3CCCC3)CC1)C2 ZINC000629795062 492674992 /nfs/dbraw/zinc/67/49/92/492674992.db2.gz UIZXKRHOEXOTFS-BGYRXZFFSA-N 2 1 362.518 0.921 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000629805353 492681246 /nfs/dbraw/zinc/68/12/46/492681246.db2.gz YIWWYDXCFQZRJG-UWGQAIRJSA-N 2 1 374.529 0.920 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644297572 492696620 /nfs/dbraw/zinc/69/66/20/492696620.db2.gz BSMNMOQDLYWCSI-HUUCEWRRSA-N 2 1 355.508 0.386 10 0 FCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625406169 492775360 /nfs/dbraw/zinc/77/53/60/492775360.db2.gz QILNUPIUHWDYNW-RDJZCZTQSA-N 2 1 350.507 0.920 10 0 FCAEMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625406169 492775364 /nfs/dbraw/zinc/77/53/64/492775364.db2.gz QILNUPIUHWDYNW-RDJZCZTQSA-N 2 1 350.507 0.920 10 0 FCAEMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625406169 492775368 /nfs/dbraw/zinc/77/53/68/492775368.db2.gz QILNUPIUHWDYNW-RDJZCZTQSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cnn1C ZINC000657835947 492801132 /nfs/dbraw/zinc/80/11/32/492801132.db2.gz RXFDGINHCSJZCG-HNNXBMFYSA-N 2 1 364.494 0.542 10 0 FCAEMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000645031994 492841363 /nfs/dbraw/zinc/84/13/63/492841363.db2.gz LAABSMARHCUELG-XJKSGUPXSA-N 2 1 354.414 0.758 10 0 FCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000658126550 492842768 /nfs/dbraw/zinc/84/27/68/492842768.db2.gz NBAXEDXKZBGJPA-CYBMUJFWSA-N 2 1 350.467 0.372 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631842172 492859535 /nfs/dbraw/zinc/85/95/35/492859535.db2.gz WOWOOXXYKOOIRH-CRAIPNDOSA-N 2 1 358.486 0.952 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631842172 492859538 /nfs/dbraw/zinc/85/95/38/492859538.db2.gz WOWOOXXYKOOIRH-CRAIPNDOSA-N 2 1 358.486 0.952 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000631837731 492860299 /nfs/dbraw/zinc/86/02/99/492860299.db2.gz DSDWZTGCFBMEMP-HZPDHXFCSA-N 2 1 359.474 0.889 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000631837731 492860302 /nfs/dbraw/zinc/86/03/02/492860302.db2.gz DSDWZTGCFBMEMP-HZPDHXFCSA-N 2 1 359.474 0.889 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625747006 492876952 /nfs/dbraw/zinc/87/69/52/492876952.db2.gz NUVGUPDDMTWJBR-UHFFFAOYSA-N 2 1 366.506 0.252 10 0 FCAEMP CC[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000631912239 492877914 /nfs/dbraw/zinc/87/79/14/492877914.db2.gz YTJAVBSUJOFJDS-ZWKOTPCHSA-N 2 1 367.515 0.731 10 0 FCAEMP 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C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903747695 675967232 /nfs/dbraw/zinc/96/72/32/675967232.db2.gz SNNLAHOTBXBWFJ-LPWJVIDDSA-N 2 1 364.412 0.523 10 0 FCAEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903748301 675967443 /nfs/dbraw/zinc/96/74/43/675967443.db2.gz FRPVHOWBDYQLKF-UPJWGTAASA-N 2 1 364.412 0.523 10 0 FCAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903748301 675967444 /nfs/dbraw/zinc/96/74/44/675967444.db2.gz FRPVHOWBDYQLKF-UPJWGTAASA-N 2 1 364.412 0.523 10 0 FCAEMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903776679 675972400 /nfs/dbraw/zinc/97/24/00/675972400.db2.gz VGALCKCGPBZTET-LALPHHSUSA-N 2 1 362.396 0.279 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903762471 675969745 /nfs/dbraw/zinc/96/97/45/675969745.db2.gz CMGUPXJSCVMXJO-RWMBFGLXSA-N 2 1 364.412 0.666 10 0 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C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000870353142 1210112171 /nfs/dbraw/zinc/11/21/71/1210112171.db2.gz XBIIZKKSLCHTCV-ZNMIVQPWSA-N 2 1 371.478 0.848 10 0 FCAEMP Cn1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(-c2cccnc2)n1 ZINC000872254535 1210182904 /nfs/dbraw/zinc/18/29/04/1210182904.db2.gz HDBKXARRNUUDKM-BBWFWOEESA-N 2 1 368.441 0.849 10 0 FCAEMP COc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc2c1OCO2 ZINC000872255136 1210183247 /nfs/dbraw/zinc/18/32/47/1210183247.db2.gz QFCZIDKGHJPPPO-IOASZLSFSA-N 2 1 361.398 0.791 10 0 FCAEMP COc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc2c1OCO2 ZINC000872255136 1210183249 /nfs/dbraw/zinc/18/32/49/1210183249.db2.gz QFCZIDKGHJPPPO-IOASZLSFSA-N 2 1 361.398 0.791 10 0 FCAEMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000878214716 1210456687 /nfs/dbraw/zinc/45/66/87/1210456687.db2.gz VVKQXSLMIFOQDJ-OAHLLOKOSA-N 2 1 359.474 0.943 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001687546758 1210832367 /nfs/dbraw/zinc/83/23/67/1210832367.db2.gz ODRQBLHJTPYWED-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001687546758 1210832368 /nfs/dbraw/zinc/83/23/68/1210832368.db2.gz ODRQBLHJTPYWED-DLBZAZTESA-N 2 1 368.522 0.404 10 0 FCAEMP CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001275936588 1211312740 /nfs/dbraw/zinc/31/27/40/1211312740.db2.gz UMVQYNSPWMOBAR-JQHSSLGASA-N 2 1 360.502 0.904 10 0 FCAEMP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001275936588 1211312742 /nfs/dbraw/zinc/31/27/42/1211312742.db2.gz UMVQYNSPWMOBAR-JQHSSLGASA-N 2 1 360.502 0.904 10 0 FCAEMP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001275936588 1211312745 /nfs/dbraw/zinc/31/27/45/1211312745.db2.gz UMVQYNSPWMOBAR-JQHSSLGASA-N 2 1 360.502 0.904 10 0 FCAEMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001275936588 1211312748 /nfs/dbraw/zinc/31/27/48/1211312748.db2.gz UMVQYNSPWMOBAR-JQHSSLGASA-N 2 1 360.502 0.904 10 0 FCAEMP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001275936588 1211312751 /nfs/dbraw/zinc/31/27/51/1211312751.db2.gz UMVQYNSPWMOBAR-JQHSSLGASA-N 2 1 360.502 0.904 10 0 FCAEMP O=C(CNC(=O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)NCc1ccccc1 ZINC000925841915 1211508636 /nfs/dbraw/zinc/50/86/36/1211508636.db2.gz UXDROGNXJHQTIT-OKZBNKHCSA-N 2 1 358.486 0.929 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC000926140857 1211517867 /nfs/dbraw/zinc/51/78/67/1211517867.db2.gz JPIGWFGSRSHRSG-ZIAGYGMSSA-N 2 1 367.498 0.639 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC000926291967 1211527185 /nfs/dbraw/zinc/52/71/85/1211527185.db2.gz QQHOZFLHRVZOBE-IEBWSBKVSA-N 2 1 372.513 0.817 10 0 FCAEMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)CC2)c1 ZINC000926309152 1211529158 /nfs/dbraw/zinc/52/91/58/1211529158.db2.gz JFXUVIURKYCZLE-FQEVSTJZSA-N 2 1 371.485 0.783 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC[C@H]1C[NH3+] ZINC000926348602 1211537019 /nfs/dbraw/zinc/53/70/19/1211537019.db2.gz SSXFISJLBBFVBE-PMPSAXMXSA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926365034 1211539810 /nfs/dbraw/zinc/53/98/10/1211539810.db2.gz RTOFEJOEUMFQMS-KXBFYZLASA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926365034 1211539817 /nfs/dbraw/zinc/53/98/17/1211539817.db2.gz RTOFEJOEUMFQMS-KXBFYZLASA-N 2 1 366.506 0.035 10 0 FCAEMP CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000926398646 1211545890 /nfs/dbraw/zinc/54/58/90/1211545890.db2.gz RVLUVRJPOXHWAR-BBWFWOEESA-N 2 1 364.490 0.051 10 0 FCAEMP CCO[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000926398646 1211545895 /nfs/dbraw/zinc/54/58/95/1211545895.db2.gz RVLUVRJPOXHWAR-BBWFWOEESA-N 2 1 364.490 0.051 10 0 FCAEMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000927813311 1211582964 /nfs/dbraw/zinc/58/29/64/1211582964.db2.gz XAZCNLUENSESJZ-RHSMWYFYSA-N 2 1 359.474 0.491 10 0 FCAEMP CCn1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000927832182 1211583968 /nfs/dbraw/zinc/58/39/68/1211583968.db2.gz HNLWQRGSIGZGJW-GASCZTMLSA-N 2 1 360.462 0.269 10 0 FCAEMP CCn1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000927832182 1211583969 /nfs/dbraw/zinc/58/39/69/1211583969.db2.gz HNLWQRGSIGZGJW-GASCZTMLSA-N 2 1 360.462 0.269 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)cn2)CC[NH+]1C ZINC000928436679 1211601961 /nfs/dbraw/zinc/60/19/61/1211601961.db2.gz VHQQELBQSYGBAP-RRCSTGOVSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)nc2)CC[NH+]1C ZINC000928436679 1211601963 /nfs/dbraw/zinc/60/19/63/1211601963.db2.gz VHQQELBQSYGBAP-RRCSTGOVSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)nc2)CC[NH+]1C ZINC000928436679 1211601965 /nfs/dbraw/zinc/60/19/65/1211601965.db2.gz VHQQELBQSYGBAP-RRCSTGOVSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)cn2)CC[NH+]1C ZINC000928425374 1211602295 /nfs/dbraw/zinc/60/22/95/1211602295.db2.gz CGAJEJZOAHBHHX-AAVRWANBSA-N 2 1 360.462 0.121 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000929231722 1211624492 /nfs/dbraw/zinc/62/44/92/1211624492.db2.gz IEAHDQVIZDRISW-INIZCTEOSA-N 2 1 370.538 0.506 10 0 FCAEMP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000929512231 1211643528 /nfs/dbraw/zinc/64/35/28/1211643528.db2.gz ZXCBLOGEMCTASJ-MAUKXSAKSA-N 2 1 373.501 0.791 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCCCC1 ZINC000929604573 1211649628 /nfs/dbraw/zinc/64/96/28/1211649628.db2.gz DVYZPCWTQLKXHX-BRWVUGGUSA-N 2 1 366.506 0.035 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000929996342 1211680333 /nfs/dbraw/zinc/68/03/33/1211680333.db2.gz JLLDGSTTWVEECI-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C1CCCC1 ZINC000929996342 1211680336 /nfs/dbraw/zinc/68/03/36/1211680336.db2.gz JLLDGSTTWVEECI-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CCCC1 ZINC000929996342 1211680339 /nfs/dbraw/zinc/68/03/39/1211680339.db2.gz JLLDGSTTWVEECI-QGZVFWFLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000929996380 1211680372 /nfs/dbraw/zinc/68/03/72/1211680372.db2.gz KEUUSNDFBOHLPY-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CCCC1 ZINC000929996380 1211680374 /nfs/dbraw/zinc/68/03/74/1211680374.db2.gz KEUUSNDFBOHLPY-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1CCCC1 ZINC000929996380 1211680376 /nfs/dbraw/zinc/68/03/76/1211680376.db2.gz KEUUSNDFBOHLPY-DLBZAZTESA-N 2 1 366.506 0.035 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[N@H+]1C1CC1 ZINC000930478657 1211709017 /nfs/dbraw/zinc/70/90/17/1211709017.db2.gz GNJJNQBTALPIDU-HFTRVMKXSA-N 2 1 373.501 0.932 10 0 FCAEMP C[C@H](NC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000930515189 1211711276 /nfs/dbraw/zinc/71/12/76/1211711276.db2.gz SYTXJUWCHUANTN-UYFTZEKXSA-N 2 1 366.506 0.345 10 0 FCAEMP C[C@H](NC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000930515189 1211711283 /nfs/dbraw/zinc/71/12/83/1211711283.db2.gz SYTXJUWCHUANTN-UYFTZEKXSA-N 2 1 366.506 0.345 10 0 FCAEMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000930829098 1211724424 /nfs/dbraw/zinc/72/44/24/1211724424.db2.gz XVACVHMBLLXBEG-WBVHZDCISA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000930829098 1211724426 /nfs/dbraw/zinc/72/44/26/1211724426.db2.gz XVACVHMBLLXBEG-WBVHZDCISA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000930829098 1211724427 /nfs/dbraw/zinc/72/44/27/1211724427.db2.gz XVACVHMBLLXBEG-WBVHZDCISA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000931484090 1211757865 /nfs/dbraw/zinc/75/78/65/1211757865.db2.gz KGNHKTOJGIWIMK-UHFFFAOYSA-N 2 1 360.502 0.554 10 0 FCAEMP COc1cccc(CNC(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000779654229 1212804790 /nfs/dbraw/zinc/80/47/90/1212804790.db2.gz ZVUVNVYYRKYDPV-MRXNPFEDSA-N 2 1 364.446 0.919 10 0 FCAEMP COc1cccc(CNC(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000779654229 1212804792 /nfs/dbraw/zinc/80/47/92/1212804792.db2.gz ZVUVNVYYRKYDPV-MRXNPFEDSA-N 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CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)c3nncn3C)CC2)CC1 ZINC001557596296 1268958480 /nfs/dbraw/zinc/95/84/80/1268958480.db2.gz YXEHHYURCUAOMT-INIZCTEOSA-N 2 1 364.494 0.161 10 0 FCAEMP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558548577 1269108959 /nfs/dbraw/zinc/10/89/59/1269108959.db2.gz DRDBKYCPRJAFSH-QFBILLFUSA-N 2 1 359.470 0.774 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1O ZINC001341663646 1269137925 /nfs/dbraw/zinc/13/79/25/1269137925.db2.gz DVMMVKOTOCAZFF-NUJGCVRESA-N 2 1 368.522 0.137 10 0 FCAEMP CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001342134216 1269363228 /nfs/dbraw/zinc/36/32/28/1269363228.db2.gz FRRSYXCBULMRII-HZPDHXFCSA-N 2 1 350.507 0.776 10 0 FCAEMP CCOC(=O)[C@H](F)C1CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC001565056402 1269450058 /nfs/dbraw/zinc/45/00/58/1269450058.db2.gz UFQRGLKTSJSZIE-DZGCQCFKSA-N 2 1 360.474 0.801 10 0 FCAEMP 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0.628 10 0 FCAEMP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566972121 1269671161 /nfs/dbraw/zinc/67/11/61/1269671161.db2.gz XFADYZRPLBSZGB-NEMWNAMBSA-N 2 1 350.507 0.628 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567124411 1269678571 /nfs/dbraw/zinc/67/85/71/1269678571.db2.gz HAERBTCCQSWGHC-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP CC(C)NC(=O)NCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567366076 1269692057 /nfs/dbraw/zinc/69/20/57/1269692057.db2.gz ZEJQQBWVXQFVCR-BZUAXINKSA-N 2 1 353.511 0.615 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567366076 1269692061 /nfs/dbraw/zinc/69/20/61/1269692061.db2.gz ZEJQQBWVXQFVCR-BZUAXINKSA-N 2 1 353.511 0.615 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567366076 1269692070 /nfs/dbraw/zinc/69/20/70/1269692070.db2.gz ZEJQQBWVXQFVCR-BZUAXINKSA-N 2 1 353.511 0.615 10 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C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)CC[N@H+]1C ZINC001736513568 1289406641 /nfs/dbraw/zinc/40/66/41/1289406641.db2.gz JBQJZQUZJCMWKY-KSWRQPAISA-N 2 1 350.507 0.917 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001737331450 1289530177 /nfs/dbraw/zinc/53/01/77/1289530177.db2.gz PEUOPDSOBLBNPN-BRWVUGGUSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001737331450 1289530183 /nfs/dbraw/zinc/53/01/83/1289530183.db2.gz PEUOPDSOBLBNPN-BRWVUGGUSA-N 2 1 366.506 0.014 10 0 FCAEMP Cc1nn(C(C)C)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700790871 1289608041 /nfs/dbraw/zinc/60/80/41/1289608041.db2.gz FZFVLJBAFVXVET-HYVNUMGLSA-N 2 1 351.495 0.679 10 0 FCAEMP CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001700936017 1289616932 /nfs/dbraw/zinc/61/69/32/1289616932.db2.gz BATUTKGMJJIMGH-MGPQQGTHSA-N 2 1 369.535 0.911 10 0 FCAEMP CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001700936017 1289616941 /nfs/dbraw/zinc/61/69/41/1289616941.db2.gz BATUTKGMJJIMGH-MGPQQGTHSA-N 2 1 369.535 0.911 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)CC[N@H+]1C ZINC001701079304 1289630325 /nfs/dbraw/zinc/63/03/25/1289630325.db2.gz VWMAEABBVRZCQH-BRWVUGGUSA-N 2 1 350.507 0.872 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C ZINC001738362196 1289668904 /nfs/dbraw/zinc/66/89/04/1289668904.db2.gz MNZFFAMZKDKBGF-HZPDHXFCSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001738362196 1289668910 /nfs/dbraw/zinc/66/89/10/1289668910.db2.gz MNZFFAMZKDKBGF-HZPDHXFCSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C ZINC001738362196 1289668919 /nfs/dbraw/zinc/66/89/19/1289668919.db2.gz MNZFFAMZKDKBGF-HZPDHXFCSA-N 2 1 352.523 0.975 10 0 FCAEMP 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CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001739513847 1290093211 /nfs/dbraw/zinc/09/32/11/1290093211.db2.gz ZQHILCGRHOZKNG-HYVNUMGLSA-N 2 1 350.507 0.632 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1O ZINC001702362751 1290133397 /nfs/dbraw/zinc/13/33/97/1290133397.db2.gz QFIBHCURIZGQMQ-BBWFWOEESA-N 2 1 368.522 0.279 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1OC ZINC001739578147 1290186157 /nfs/dbraw/zinc/18/61/57/1290186157.db2.gz IADRHPZLJCNSIA-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001739625759 1290258696 /nfs/dbraw/zinc/25/86/96/1290258696.db2.gz WVHMDWXISTUGMC-PMPSAXMXSA-N 2 1 368.522 0.277 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001739625759 1290258704 /nfs/dbraw/zinc/25/87/04/1290258704.db2.gz WVHMDWXISTUGMC-PMPSAXMXSA-N 2 1 368.522 0.277 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001739625759 1290258710 /nfs/dbraw/zinc/25/87/10/1290258710.db2.gz WVHMDWXISTUGMC-PMPSAXMXSA-N 2 1 368.522 0.277 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001739937217 1290445355 /nfs/dbraw/zinc/44/53/55/1290445355.db2.gz OKJQSCWXBRVYGT-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001739937217 1290445362 /nfs/dbraw/zinc/44/53/62/1290445362.db2.gz OKJQSCWXBRVYGT-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001739937217 1290445364 /nfs/dbraw/zinc/44/53/64/1290445364.db2.gz OKJQSCWXBRVYGT-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC001740145494 1290499595 /nfs/dbraw/zinc/49/95/95/1290499595.db2.gz UAOBEAZKEYHISF-QFBILLFUSA-N 2 1 362.518 0.729 10 0 FCAEMP C[NH+]1CCC(O)(CNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001629986823 1290639685 /nfs/dbraw/zinc/63/96/85/1290639685.db2.gz JECCJVFRABVQEO-HXUWFJFHSA-N 2 1 361.486 0.586 10 0 FCAEMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001757646177 1290797708 /nfs/dbraw/zinc/79/77/08/1290797708.db2.gz YWGACQOZPRNHOR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001757646177 1290797717 /nfs/dbraw/zinc/79/77/17/1290797717.db2.gz YWGACQOZPRNHOR-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@H]2C1 ZINC001649433452 1291148792 /nfs/dbraw/zinc/14/87/92/1291148792.db2.gz LJFGWJCWEPMTHT-HBFSDRIKSA-N 2 1 365.518 0.916 10 0 FCAEMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@H]2C1 ZINC001649433452 1291148796 /nfs/dbraw/zinc/14/87/96/1291148796.db2.gz LJFGWJCWEPMTHT-HBFSDRIKSA-N 2 1 365.518 0.916 10 0 FCAEMP COCCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@H]2C1 ZINC001649433452 1291148801 /nfs/dbraw/zinc/14/88/01/1291148801.db2.gz LJFGWJCWEPMTHT-HBFSDRIKSA-N 2 1 365.518 0.916 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NCC1CCC1 ZINC001656759666 1291561028 /nfs/dbraw/zinc/56/10/28/1291561028.db2.gz NPEALETYRZZLCP-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NCC1CCC1 ZINC001656759666 1291561029 /nfs/dbraw/zinc/56/10/29/1291561029.db2.gz NPEALETYRZZLCP-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NCC1CCC1 ZINC001656759666 1291561035 /nfs/dbraw/zinc/56/10/35/1291561035.db2.gz NPEALETYRZZLCP-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NCC1CCC1 ZINC001656759666 1291561038 /nfs/dbraw/zinc/56/10/38/1291561038.db2.gz NPEALETYRZZLCP-IXDOHACOSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001660988173 1291679456 /nfs/dbraw/zinc/67/94/56/1291679456.db2.gz IFZWUOQSXCUWAX-OWCLPIDISA-N 2 1 371.547 0.732 10 0 FCAEMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCNC(=O)NC(C)(C)C ZINC001662919100 1291739485 /nfs/dbraw/zinc/73/94/85/1291739485.db2.gz PCZQVMIHVKRMCQ-RBSFLKMASA-N 2 1 355.527 0.909 10 0 FCAEMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001662980139 1291741545 /nfs/dbraw/zinc/74/15/45/1291741545.db2.gz SYPZKKIBKYFKPM-OIISXLGYSA-N 2 1 371.489 0.540 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2cc(=O)c(OC)co2)CC[N@H+]1C ZINC001663942461 1291775536 /nfs/dbraw/zinc/77/55/36/1291775536.db2.gz VJVNIWMSWBOOKC-LSDHHAIUSA-N 2 1 351.447 0.927 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001663942487 1291775646 /nfs/dbraw/zinc/77/56/46/1291775646.db2.gz WKACSNUCQGPRSV-NVXWUHKLSA-N 2 1 367.515 0.849 10 0 FCAEMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001667893569 1291948263 /nfs/dbraw/zinc/94/82/63/1291948263.db2.gz KFBIVPTVBMHKBF-OTWHNJEPSA-N 2 1 371.485 0.332 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cncc(F)c2)CC[N@H+]1C ZINC001672621230 1292086408 /nfs/dbraw/zinc/08/64/08/1292086408.db2.gz FAMGBEPJHOLPPC-DLBZAZTESA-N 2 1 352.454 0.862 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001685106889 1292430496 /nfs/dbraw/zinc/43/04/96/1292430496.db2.gz RFIVAHMRFKQSMA-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001685106889 1292430500 /nfs/dbraw/zinc/43/05/00/1292430500.db2.gz RFIVAHMRFKQSMA-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001685106889 1292430507 /nfs/dbraw/zinc/43/05/07/1292430507.db2.gz RFIVAHMRFKQSMA-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP 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CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001347704976 872466811 /nfs/dbraw/zinc/46/68/11/872466811.db2.gz MWDSERKPBHJNHI-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP CCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001347704976 872466824 /nfs/dbraw/zinc/46/68/24/872466824.db2.gz MWDSERKPBHJNHI-HZMVEIRTSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001348191335 872622052 /nfs/dbraw/zinc/62/20/52/872622052.db2.gz DPNBYZWFJDZBJV-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 FCAEMP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001348265179 872650094 /nfs/dbraw/zinc/65/00/94/872650094.db2.gz UKEZKUODFGYWCQ-CVEARBPZSA-N 2 1 353.511 0.127 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCC1(C)C ZINC001330567884 872708826 /nfs/dbraw/zinc/70/88/26/872708826.db2.gz NSKAAHRGSANEET-UHFFFAOYSA-N 2 1 350.507 0.921 10 0 FCAEMP COC(=O)[C@]1(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)CCOC1 ZINC001331611651 873162797 /nfs/dbraw/zinc/16/27/97/873162797.db2.gz JRTGOZFNPQWXLS-SFHVURJKSA-N 2 1 350.463 0.921 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC001332041292 873347527 /nfs/dbraw/zinc/34/75/27/873347527.db2.gz MLCKBVOEKUZTFU-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@H+]1C ZINC001332041292 873347544 /nfs/dbraw/zinc/34/75/44/873347544.db2.gz MLCKBVOEKUZTFU-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC[NH+]1C ZINC001332041292 873347558 /nfs/dbraw/zinc/34/75/58/873347558.db2.gz MLCKBVOEKUZTFU-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC[NH+]1C ZINC001332041292 873347572 /nfs/dbraw/zinc/34/75/72/873347572.db2.gz MLCKBVOEKUZTFU-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCN1C ZINC001332056027 873351223 /nfs/dbraw/zinc/35/12/23/873351223.db2.gz ASTNTWPUVSJXNT-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001332056027 873351236 /nfs/dbraw/zinc/35/12/36/873351236.db2.gz ASTNTWPUVSJXNT-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@H+]1C ZINC001332056027 873351247 /nfs/dbraw/zinc/35/12/47/873351247.db2.gz ASTNTWPUVSJXNT-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH+]1C ZINC001332056027 873351258 /nfs/dbraw/zinc/35/12/58/873351258.db2.gz ASTNTWPUVSJXNT-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC[NH+]1C ZINC001332056027 873351273 /nfs/dbraw/zinc/35/12/73/873351273.db2.gz ASTNTWPUVSJXNT-BRWVUGGUSA-N 2 1 350.507 0.728 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265861969 210238694 /nfs/dbraw/zinc/23/86/94/210238694.db2.gz FJLFCGOPWYPAMS-IBGZPJMESA-N 2 1 360.502 0.593 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265861969 210238699 /nfs/dbraw/zinc/23/86/99/210238699.db2.gz FJLFCGOPWYPAMS-IBGZPJMESA-N 2 1 360.502 0.593 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1=CC[NH+](C)CC1 ZINC000930652396 674046453 /nfs/dbraw/zinc/04/64/53/674046453.db2.gz JVJLIRLPCZAIEJ-NUEKZKHPSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1=CC[NH+](C)CC1 ZINC000930652396 674046456 /nfs/dbraw/zinc/04/64/56/674046456.db2.gz JVJLIRLPCZAIEJ-NUEKZKHPSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1=CC[N@H+](C)CC1 ZINC000930652396 674046461 /nfs/dbraw/zinc/04/64/61/674046461.db2.gz JVJLIRLPCZAIEJ-NUEKZKHPSA-N 2 1 366.531 0.449 10 0 FCAEMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1=CC[N@@H+](C)CC1 ZINC000930652396 674046468 /nfs/dbraw/zinc/04/64/68/674046468.db2.gz JVJLIRLPCZAIEJ-NUEKZKHPSA-N 2 1 366.531 0.449 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930756389 674056200 /nfs/dbraw/zinc/05/62/00/674056200.db2.gz WHCKZVIHTOXYHE-ILXRZTDVSA-N 2 1 356.536 0.529 10 0 FCAEMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930756389 674056201 /nfs/dbraw/zinc/05/62/01/674056201.db2.gz WHCKZVIHTOXYHE-ILXRZTDVSA-N 2 1 356.536 0.529 10 0 FCAEMP CC[NH+]1CC[C@@H](NC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000334132213 215347826 /nfs/dbraw/zinc/34/78/26/215347826.db2.gz VGMUBRSWOOSQNE-MSOLQXFVSA-N 2 1 367.538 0.517 10 0 FCAEMP CC[NH+]1CC[C@@H](NC(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000334132214 215347108 /nfs/dbraw/zinc/34/71/08/215347108.db2.gz VGMUBRSWOOSQNE-QZTJIDSGSA-N 2 1 367.538 0.517 10 0 FCAEMP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000930958014 674081422 /nfs/dbraw/zinc/08/14/22/674081422.db2.gz QVEKVUPFVRMULQ-PMPSAXMXSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1)[NH+]1CC[C@H](C)[C@H](CO)C1 ZINC000931104295 674093014 /nfs/dbraw/zinc/09/30/14/674093014.db2.gz PEOMIARQIXWSJW-ICUGJSFKSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1)[NH+]1CC[C@H](C)[C@H](CO)C1 ZINC000931104295 674093018 /nfs/dbraw/zinc/09/30/18/674093018.db2.gz PEOMIARQIXWSJW-ICUGJSFKSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1)[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000931104295 674093019 /nfs/dbraw/zinc/09/30/19/674093019.db2.gz PEOMIARQIXWSJW-ICUGJSFKSA-N 2 1 355.523 0.392 10 0 FCAEMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1)[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000931104295 674093022 /nfs/dbraw/zinc/09/30/22/674093022.db2.gz PEOMIARQIXWSJW-ICUGJSFKSA-N 2 1 355.523 0.392 10 0 FCAEMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000245657581 209371804 /nfs/dbraw/zinc/37/18/04/209371804.db2.gz CSMKJLOSKBQXPE-HOTGVXAUSA-N 2 1 351.495 0.465 10 0 FCAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000245657581 209371806 /nfs/dbraw/zinc/37/18/06/209371806.db2.gz CSMKJLOSKBQXPE-HOTGVXAUSA-N 2 1 351.495 0.465 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000246107790 209378840 /nfs/dbraw/zinc/37/88/40/209378840.db2.gz HOSICTBRWNKNRA-SJORKVTESA-N 2 1 355.527 0.375 10 0 FCAEMP C[C@@]1(C(N)=O)CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185973475 209182769 /nfs/dbraw/zinc/18/27/69/209182769.db2.gz XYSGHLKEBBOKPG-ROUUACIJSA-N 2 1 354.495 0.463 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000931396976 674111818 /nfs/dbraw/zinc/11/18/18/674111818.db2.gz LLNXQZGAGREWRN-DOTOQJQBSA-N 2 1 374.551 0.333 10 0 FCAEMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415073030 245345555 /nfs/dbraw/zinc/34/55/55/245345555.db2.gz YUTOMCSTHORYEK-STQMWFEESA-N 2 1 363.462 0.940 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000931516456 674118346 /nfs/dbraw/zinc/11/83/46/674118346.db2.gz UCJHPTIMVQUJKT-MRXNPFEDSA-N 2 1 354.495 0.156 10 0 FCAEMP C[C@H](CNC(=O)CN1C[C@@H](O)CC(C)(C)C1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000931551961 674119485 /nfs/dbraw/zinc/11/94/85/674119485.db2.gz PXPFZCLODCABSA-PMPSAXMXSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000931551961 674119487 /nfs/dbraw/zinc/11/94/87/674119487.db2.gz PXPFZCLODCABSA-PMPSAXMXSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000931551961 674119488 /nfs/dbraw/zinc/11/94/88/674119488.db2.gz PXPFZCLODCABSA-PMPSAXMXSA-N 2 1 355.523 0.677 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@@H](O)CC(C)(C)C1)[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000931551961 674119491 /nfs/dbraw/zinc/11/94/91/674119491.db2.gz PXPFZCLODCABSA-PMPSAXMXSA-N 2 1 355.523 0.677 10 0 FCAEMP C[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415358193 245395974 /nfs/dbraw/zinc/39/59/74/245395974.db2.gz ILKFGBRBSARFTA-UHFFFAOYSA-N 2 1 357.252 0.785 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000419226187 246065131 /nfs/dbraw/zinc/06/51/31/246065131.db2.gz DBGMXEJVPHQJFM-ZDUSSCGKSA-N 2 1 364.515 0.821 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000419226187 246065134 /nfs/dbraw/zinc/06/51/34/246065134.db2.gz DBGMXEJVPHQJFM-ZDUSSCGKSA-N 2 1 364.515 0.821 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419275051 246085379 /nfs/dbraw/zinc/08/53/79/246085379.db2.gz YKMZVYXYNCSXDG-CRAIPNDOSA-N 2 1 374.485 0.249 10 0 FCAEMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341090 246105224 /nfs/dbraw/zinc/10/52/24/246105224.db2.gz XRHLYZALNVKORS-YOEHRIQHSA-N 2 1 359.474 0.276 10 0 FCAEMP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419523205 246189353 /nfs/dbraw/zinc/18/93/53/246189353.db2.gz ALWHLGISKQBRNW-DAWZGUTISA-N 2 1 371.485 0.688 10 0 FCAEMP C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000419540083 246196997 /nfs/dbraw/zinc/19/69/97/246196997.db2.gz ZHIYLYBOCZMECU-YJBOKZPZSA-N 2 1 358.486 0.834 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419538687 246197172 /nfs/dbraw/zinc/19/71/72/246197172.db2.gz XJPSKBJHMKSCIY-BPQIPLTHSA-N 2 1 358.486 0.881 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419539424 246197722 /nfs/dbraw/zinc/19/77/22/246197722.db2.gz PPTZEHIFXROMMC-SJORKVTESA-N 2 1 366.506 0.204 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419539423 246197974 /nfs/dbraw/zinc/19/79/74/246197974.db2.gz PPTZEHIFXROMMC-IRXDYDNUSA-N 2 1 366.506 0.204 10 0 FCAEMP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000419548249 246199203 /nfs/dbraw/zinc/19/92/03/246199203.db2.gz SQDXLSWFRRVEBP-MRXNPFEDSA-N 2 1 354.495 0.062 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419705196 246259768 /nfs/dbraw/zinc/25/97/68/246259768.db2.gz IOGGTPINIRLFRB-FZCLSBEQSA-N 2 1 358.486 0.880 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000419825926 246308264 /nfs/dbraw/zinc/30/82/64/246308264.db2.gz NQJOUQMNCKARSA-DOTOQJQBSA-N 2 1 359.474 0.403 10 0 FCAEMP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419853268 246324863 /nfs/dbraw/zinc/32/48/63/246324863.db2.gz DXNQUGOTPIJFIW-ZWKOTPCHSA-N 2 1 358.486 0.835 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419936679 246377253 /nfs/dbraw/zinc/37/72/53/246377253.db2.gz UQKOOTKSKQKUIP-AEFFLSMTSA-N 2 1 358.486 0.993 10 0 FCAEMP CN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419906888 246362342 /nfs/dbraw/zinc/36/23/42/246362342.db2.gz AWCFKHBNJUDFKB-AEFFLSMTSA-N 2 1 358.486 0.835 10 0 FCAEMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423438074 247027274 /nfs/dbraw/zinc/02/72/74/247027274.db2.gz GRKQRRZOICFHJP-FXAWDEMLSA-N 2 1 362.518 0.779 10 0 FCAEMP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423639864 247087710 /nfs/dbraw/zinc/08/77/10/247087710.db2.gz JRFYYZPAMUTGGZ-AEFFLSMTSA-N 2 1 371.485 0.499 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC[N@@H+]1CCOC ZINC000423718914 247124108 /nfs/dbraw/zinc/12/41/08/247124108.db2.gz DNQJCYFAHMJRLJ-MRXNPFEDSA-N 2 1 366.506 0.300 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC[N@H+]1CCOC ZINC000423718914 247124111 /nfs/dbraw/zinc/12/41/11/247124111.db2.gz DNQJCYFAHMJRLJ-MRXNPFEDSA-N 2 1 366.506 0.300 10 0 FCAEMP O=C(C[NH2+][C@]1(CO)CCOc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000440467053 248186374 /nfs/dbraw/zinc/18/63/74/248186374.db2.gz LLSVVEZTPCDMEK-FQEVSTJZSA-N 2 1 359.470 0.989 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452346760 249308501 /nfs/dbraw/zinc/30/85/01/249308501.db2.gz HJXFZLSSUCCHNR-HXUWFJFHSA-N 2 1 374.529 0.767 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452346760 249308505 /nfs/dbraw/zinc/30/85/05/249308505.db2.gz HJXFZLSSUCCHNR-HXUWFJFHSA-N 2 1 374.529 0.767 10 0 FCAEMP C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)n2)CC1 ZINC000452800869 249331796 /nfs/dbraw/zinc/33/17/96/249331796.db2.gz WZAZDSCDVOUGRW-INIZCTEOSA-N 2 1 361.490 0.410 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931817057 674135870 /nfs/dbraw/zinc/13/58/70/674135870.db2.gz QNOUJKRVPYQVKP-JKSUJKDBSA-N 2 1 370.563 0.729 10 0 FCAEMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931817057 674135871 /nfs/dbraw/zinc/13/58/71/674135871.db2.gz QNOUJKRVPYQVKP-JKSUJKDBSA-N 2 1 370.563 0.729 10 0 FCAEMP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@H]1C ZINC000469844960 250007837 /nfs/dbraw/zinc/00/78/37/250007837.db2.gz XWACQZDSMLPDDQ-ARFHVFGLSA-N 2 1 355.479 0.343 10 0 FCAEMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C ZINC000469844960 250007841 /nfs/dbraw/zinc/00/78/41/250007841.db2.gz XWACQZDSMLPDDQ-ARFHVFGLSA-N 2 1 355.479 0.343 10 0 FCAEMP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@H]1C ZINC000469844960 250007844 /nfs/dbraw/zinc/00/78/44/250007844.db2.gz XWACQZDSMLPDDQ-ARFHVFGLSA-N 2 1 355.479 0.343 10 0 FCAEMP CCn1nccc1S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000472573320 250161958 /nfs/dbraw/zinc/16/19/58/250161958.db2.gz FYPSZKVJYPASEJ-HNNXBMFYSA-N 2 1 357.524 0.940 10 0 FCAEMP C[C@@H]1C[N@H+](CC2CCN(CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000110427972 208266913 /nfs/dbraw/zinc/26/69/13/208266913.db2.gz HRXRLPBCKDCWMV-OKILXGFUSA-N 2 1 352.479 0.796 10 0 FCAEMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000110427972 208266918 /nfs/dbraw/zinc/26/69/18/208266918.db2.gz HRXRLPBCKDCWMV-OKILXGFUSA-N 2 1 352.479 0.796 10 0 FCAEMP COCC[N@H+](C)CCCNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000115801727 208327375 /nfs/dbraw/zinc/32/73/75/208327375.db2.gz ZIBKYXLDYKJNNS-UHFFFAOYSA-N 2 1 366.510 0.606 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000115801727 208327382 /nfs/dbraw/zinc/32/73/82/208327382.db2.gz ZIBKYXLDYKJNNS-UHFFFAOYSA-N 2 1 366.510 0.606 10 0 FCAEMP COCC[NH+](C)CCCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115801727 208327387 /nfs/dbraw/zinc/32/73/87/208327387.db2.gz ZIBKYXLDYKJNNS-UHFFFAOYSA-N 2 1 366.510 0.606 10 0 FCAEMP COCC[NH+](C)CCCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115801727 208327392 /nfs/dbraw/zinc/32/73/92/208327392.db2.gz ZIBKYXLDYKJNNS-UHFFFAOYSA-N 2 1 366.510 0.606 10 0 FCAEMP CCNC(=O)NC(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119481227 208361991 /nfs/dbraw/zinc/36/19/91/208361991.db2.gz QUAVDSFGTTZVBO-LSVZVQIISA-N 2 1 351.495 0.463 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000118842092 208351986 /nfs/dbraw/zinc/35/19/86/208351986.db2.gz VWTKBXLVWGEILF-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000118842092 208351988 /nfs/dbraw/zinc/35/19/88/208351988.db2.gz VWTKBXLVWGEILF-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000118842092 208351992 /nfs/dbraw/zinc/35/19/92/208351992.db2.gz VWTKBXLVWGEILF-QZTJIDSGSA-N 2 1 354.539 0.733 10 0 FCAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000178323498 209048925 /nfs/dbraw/zinc/04/89/25/209048925.db2.gz HCTINUISPKAFBW-KRWDZBQOSA-N 2 1 359.474 0.737 10 0 FCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000178323498 209048933 /nfs/dbraw/zinc/04/89/33/209048933.db2.gz HCTINUISPKAFBW-KRWDZBQOSA-N 2 1 359.474 0.737 10 0 FCAEMP COC1(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC[NH2+]CC1 ZINC000178885421 209063314 /nfs/dbraw/zinc/06/33/14/209063314.db2.gz RFGJVAKRPJKMNP-QGZVFWFLSA-N 2 1 368.522 0.008 10 0 FCAEMP CN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410499955 230104881 /nfs/dbraw/zinc/10/48/81/230104881.db2.gz VLHLLIGROUKRES-KRWDZBQOSA-N 2 1 364.490 0.005 10 0 FCAEMP CN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410499955 230104882 /nfs/dbraw/zinc/10/48/82/230104882.db2.gz VLHLLIGROUKRES-KRWDZBQOSA-N 2 1 364.490 0.005 10 0 FCAEMP O=C(C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000052931375 488187095 /nfs/dbraw/zinc/18/70/95/488187095.db2.gz WYKVSGVFXNDJQG-INIZCTEOSA-N 2 1 362.518 0.968 10 0 FCAEMP Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC000562823661 491193454 /nfs/dbraw/zinc/19/34/54/491193454.db2.gz ZDZAJIJNLJITGP-LJQANCHMSA-N 2 1 359.474 0.910 10 0 FCAEMP CC(C)[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000192802640 488424578 /nfs/dbraw/zinc/42/45/78/488424578.db2.gz ZFXFCFITOALLES-SJORKVTESA-N 2 1 356.511 0.489 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247225203 488482535 /nfs/dbraw/zinc/48/25/35/488482535.db2.gz CHRPOHXJJRKTGB-IXDOHACOSA-N 2 1 356.511 0.896 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249548049 488511679 /nfs/dbraw/zinc/51/16/79/488511679.db2.gz GVUCBKOTNCIHNY-GGPKGHCWSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249548049 488511680 /nfs/dbraw/zinc/51/16/80/488511680.db2.gz GVUCBKOTNCIHNY-GGPKGHCWSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000249548049 488511682 /nfs/dbraw/zinc/51/16/82/488511682.db2.gz GVUCBKOTNCIHNY-GGPKGHCWSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCO)[C@H](C)C1 ZINC000249548049 488511684 /nfs/dbraw/zinc/51/16/84/488511684.db2.gz GVUCBKOTNCIHNY-GGPKGHCWSA-N 2 1 374.529 0.764 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111686009 488531775 /nfs/dbraw/zinc/53/17/75/488531775.db2.gz WJPMBCZHRMCHRZ-KSZLIROESA-N 2 1 352.523 0.460 10 0 FCAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111686009 488531778 /nfs/dbraw/zinc/53/17/78/488531778.db2.gz WJPMBCZHRMCHRZ-KSZLIROESA-N 2 1 352.523 0.460 10 0 FCAEMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]C[C@H]3c3cccnc3)cn2)CC1 ZINC000261848006 488538583 /nfs/dbraw/zinc/53/85/83/488538583.db2.gz PXFRKRVRNCOFGY-SFHVURJKSA-N 2 1 353.474 0.770 10 0 FCAEMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000261853405 488538605 /nfs/dbraw/zinc/53/86/05/488538605.db2.gz RSSZTNJQTAIMQJ-KRWDZBQOSA-N 2 1 350.488 0.703 10 0 FCAEMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000261853405 488538607 /nfs/dbraw/zinc/53/86/07/488538607.db2.gz RSSZTNJQTAIMQJ-KRWDZBQOSA-N 2 1 350.488 0.703 10 0 FCAEMP CN1CC[NH+](CCOc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261939503 488543166 /nfs/dbraw/zinc/54/31/66/488543166.db2.gz XHXPVIFUPATYOV-UHFFFAOYSA-N 2 1 362.474 0.759 10 0 FCAEMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[C@]1(N2CCOCC2)CCSC1 ZINC000261953386 488543561 /nfs/dbraw/zinc/54/35/61/488543561.db2.gz OREAUPONNQULBH-XLAORIBOSA-N 2 1 355.548 0.941 10 0 FCAEMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[C@]1(N2CCOCC2)CCSC1 ZINC000261953385 488543630 /nfs/dbraw/zinc/54/36/30/488543630.db2.gz OREAUPONNQULBH-WNRNVDISSA-N 2 1 355.548 0.941 10 0 FCAEMP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261962864 488543945 /nfs/dbraw/zinc/54/39/45/488543945.db2.gz PSTWBSSENLEVBR-GVDBMIGSSA-N 2 1 353.488 0.841 10 0 FCAEMP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261981229 488544584 /nfs/dbraw/zinc/54/45/84/488544584.db2.gz RPTGOGJBMPLVHV-BRWVUGGUSA-N 2 1 359.536 0.937 10 0 FCAEMP C[C@]1(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)NC(=O)NC1=O ZINC000262053833 488548178 /nfs/dbraw/zinc/54/81/78/488548178.db2.gz ZXFMUTWOEDZOMS-WOCWXWTJSA-N 2 1 372.469 0.988 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000119724161 488558727 /nfs/dbraw/zinc/55/87/27/488558727.db2.gz SNBVAZHUJQVLLT-HUUCEWRRSA-N 2 1 364.494 0.572 10 0 FCAEMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000121964579 488573707 /nfs/dbraw/zinc/57/37/07/488573707.db2.gz PVNAEAVSUIPJJD-INIZCTEOSA-N 2 1 361.490 0.611 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000123183420 488583213 /nfs/dbraw/zinc/58/32/13/488583213.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 3 1 354.539 0.874 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000123183420 488583215 /nfs/dbraw/zinc/58/32/15/488583215.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 2 1 354.539 0.874 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000123183420 488583218 /nfs/dbraw/zinc/58/32/18/488583218.db2.gz SHEOMPXMYJICCX-OKZBNKHCSA-N 2 1 354.539 0.874 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)cn2)CC1 ZINC000134294118 488665765 /nfs/dbraw/zinc/66/57/65/488665765.db2.gz RBGGZKVVSPBMAF-KRWDZBQOSA-N 2 1 368.489 0.777 10 0 FCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000136979471 488679824 /nfs/dbraw/zinc/67/98/24/488679824.db2.gz ZZKAMWYKQGNMKW-SJORKVTESA-N 2 1 367.538 0.911 10 0 FCAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000153232658 488728637 /nfs/dbraw/zinc/72/86/37/488728637.db2.gz AMWWECHBQMEYDR-UHFFFAOYSA-N 2 1 364.494 0.764 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154926225 488748496 /nfs/dbraw/zinc/74/84/96/488748496.db2.gz XJNFMJGEEIODOL-QGZVFWFLSA-N 2 1 356.511 0.585 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000570187676 491223490 /nfs/dbraw/zinc/22/34/90/491223490.db2.gz JQNOXJXUWVXRFY-BRWVUGGUSA-N 2 1 360.506 0.889 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000172804763 488838373 /nfs/dbraw/zinc/83/83/73/488838373.db2.gz UBDFCDONXZPLLQ-MSOLQXFVSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000172804763 488838375 /nfs/dbraw/zinc/83/83/75/488838375.db2.gz UBDFCDONXZPLLQ-MSOLQXFVSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000172804763 488838376 /nfs/dbraw/zinc/83/83/76/488838376.db2.gz UBDFCDONXZPLLQ-MSOLQXFVSA-N 2 1 352.523 0.630 10 0 FCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000173914185 488846133 /nfs/dbraw/zinc/84/61/33/488846133.db2.gz DIOZAFGFRFKGGN-QGZVFWFLSA-N 2 1 363.506 0.633 10 0 FCAEMP C(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000173989355 488846901 /nfs/dbraw/zinc/84/69/01/488846901.db2.gz RFMBJBFJSZZTKC-BGYRXZFFSA-N 2 1 366.550 0.580 10 0 FCAEMP C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000173989355 488846902 /nfs/dbraw/zinc/84/69/02/488846902.db2.gz RFMBJBFJSZZTKC-BGYRXZFFSA-N 2 1 366.550 0.580 10 0 FCAEMP C(CC[N@H+]1CC[C@H](N2CCOCC2)C1)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000173989355 488846903 /nfs/dbraw/zinc/84/69/03/488846903.db2.gz RFMBJBFJSZZTKC-BGYRXZFFSA-N 2 1 366.550 0.580 10 0 FCAEMP C(=C/C[N@H+]1CC[C@@H](N2CCOCC2)C1)\C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000173992930 488846966 /nfs/dbraw/zinc/84/69/66/488846966.db2.gz MMGZUALTBPIRLN-FWDLARJDSA-N 2 1 364.534 0.356 10 0 FCAEMP C(=C/C[N@@H+]1CC[C@H](N2CCOCC2)C1)\C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000173992930 488846967 /nfs/dbraw/zinc/84/69/67/488846967.db2.gz MMGZUALTBPIRLN-FWDLARJDSA-N 2 1 364.534 0.356 10 0 FCAEMP C(=C/C[N@H+]1CC[C@H](N2CCOCC2)C1)\C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000173992930 488846968 /nfs/dbraw/zinc/84/69/68/488846968.db2.gz MMGZUALTBPIRLN-FWDLARJDSA-N 2 1 364.534 0.356 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000175038278 488852741 /nfs/dbraw/zinc/85/27/41/488852741.db2.gz JNGNWJJCHHEKFH-MQVJKMGUSA-N 2 1 351.495 0.511 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000175038278 488852742 /nfs/dbraw/zinc/85/27/42/488852742.db2.gz JNGNWJJCHHEKFH-MQVJKMGUSA-N 2 1 351.495 0.511 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000175803627 488855689 /nfs/dbraw/zinc/85/56/89/488855689.db2.gz OPAJPBQWXBKMQV-SJORKVTESA-N 2 1 355.527 0.232 10 0 FCAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000181809560 488863726 /nfs/dbraw/zinc/86/37/26/488863726.db2.gz CSDWMCXSFLNDPQ-IAGOWNOFSA-N 2 1 370.538 0.689 10 0 FCAEMP COC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000365111035 489039783 /nfs/dbraw/zinc/03/97/83/489039783.db2.gz OCMKMNFZCAHFFK-YESZJQIVSA-N 2 1 357.495 0.243 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000570377708 491237338 /nfs/dbraw/zinc/23/73/38/491237338.db2.gz UIWHJZBMOPMMMT-BBWFWOEESA-N 2 1 350.507 0.872 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000563459584 491249181 /nfs/dbraw/zinc/24/91/81/491249181.db2.gz XRZUCFMSSXHDNL-GDBMZVCRSA-N 2 1 365.522 0.901 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363177406 489433772 /nfs/dbraw/zinc/43/37/72/489433772.db2.gz TWPBGBQWWHESBG-PMACEKPBSA-N 2 1 372.513 0.784 10 0 FCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363177406 489433775 /nfs/dbraw/zinc/43/37/75/489433775.db2.gz TWPBGBQWWHESBG-PMACEKPBSA-N 2 1 372.513 0.784 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000287021081 489452862 /nfs/dbraw/zinc/45/28/62/489452862.db2.gz REJKBLRGNKVQJY-UHFFFAOYSA-N 2 1 364.494 0.341 10 0 FCAEMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423275094 489510818 /nfs/dbraw/zinc/51/08/18/489510818.db2.gz MUBZJSPLTVMSRY-MRXNPFEDSA-N 2 1 367.538 0.058 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806062 489524817 /nfs/dbraw/zinc/52/48/17/489524817.db2.gz WHCCVHRHGRMHBI-DLBZAZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806062 489524819 /nfs/dbraw/zinc/52/48/19/489524819.db2.gz WHCCVHRHGRMHBI-DLBZAZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451806062 489524822 /nfs/dbraw/zinc/52/48/22/489524822.db2.gz WHCCVHRHGRMHBI-DLBZAZTESA-N 2 1 355.523 0.942 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000372155579 489552756 /nfs/dbraw/zinc/55/27/56/489552756.db2.gz GGRGXPWTXQYVQO-RCCFBDPRSA-N 2 1 353.507 0.818 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000372155579 489552759 /nfs/dbraw/zinc/55/27/59/489552759.db2.gz GGRGXPWTXQYVQO-RCCFBDPRSA-N 2 1 353.507 0.818 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000372155579 489552762 /nfs/dbraw/zinc/55/27/62/489552762.db2.gz GGRGXPWTXQYVQO-RCCFBDPRSA-N 2 1 353.507 0.818 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416154302 489571901 /nfs/dbraw/zinc/57/19/01/489571901.db2.gz ACTPAOJGWSDDQZ-UHFFFAOYSA-N 2 1 358.486 0.715 10 0 FCAEMP C[NH+]1CCN(C(=O)CCNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416154302 489571907 /nfs/dbraw/zinc/57/19/07/489571907.db2.gz ACTPAOJGWSDDQZ-UHFFFAOYSA-N 2 1 358.486 0.715 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC000417672174 489660663 /nfs/dbraw/zinc/66/06/63/489660663.db2.gz RVPGZDZISOCHAZ-JKSUJKDBSA-N 2 1 354.495 0.507 10 0 FCAEMP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418666095 489716312 /nfs/dbraw/zinc/71/63/12/489716312.db2.gz CONJYOJFWSTRHF-ADKAHSJRSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418666095 489716314 /nfs/dbraw/zinc/71/63/14/489716314.db2.gz CONJYOJFWSTRHF-ADKAHSJRSA-N 2 1 367.538 0.349 10 0 FCAEMP O=C(NC1CCC([NH+]2CCNCC2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418666095 489716317 /nfs/dbraw/zinc/71/63/17/489716317.db2.gz CONJYOJFWSTRHF-ADKAHSJRSA-N 2 1 367.538 0.349 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N(C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418877623 489770849 /nfs/dbraw/zinc/77/08/49/489770849.db2.gz JRKJKCUHZQNESP-IRXDYDNUSA-N 2 1 360.458 0.506 10 0 FCAEMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N(C)CC[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418877623 489770852 /nfs/dbraw/zinc/77/08/52/489770852.db2.gz JRKJKCUHZQNESP-IRXDYDNUSA-N 2 1 360.458 0.506 10 0 FCAEMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418902933 489783088 /nfs/dbraw/zinc/78/30/88/489783088.db2.gz AULBZEKKKCOETB-GOSISDBHSA-N 2 1 374.485 0.345 10 0 FCAEMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)C1 ZINC000459939735 489800322 /nfs/dbraw/zinc/80/03/22/489800322.db2.gz BJCIZCPJKAAZCR-HXUWFJFHSA-N 2 1 362.518 0.875 10 0 FCAEMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)C1 ZINC000459939734 489800706 /nfs/dbraw/zinc/80/07/06/489800706.db2.gz BJCIZCPJKAAZCR-FQEVSTJZSA-N 2 1 362.518 0.875 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418960996 489805425 /nfs/dbraw/zinc/80/54/25/489805425.db2.gz JMXPAKIQQMNWGZ-VYDXJSESSA-N 2 1 374.485 0.767 10 0 FCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000418960996 489805427 /nfs/dbraw/zinc/80/54/27/489805427.db2.gz JMXPAKIQQMNWGZ-VYDXJSESSA-N 2 1 374.485 0.767 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000419110696 489858858 /nfs/dbraw/zinc/85/88/58/489858858.db2.gz CLEZSHSQLRMFFH-PVAVHDDUSA-N 2 1 368.522 0.354 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCOCC1 ZINC000419110699 489859187 /nfs/dbraw/zinc/85/91/87/489859187.db2.gz CLEZSHSQLRMFFH-XIRDDKMYSA-N 2 1 368.522 0.354 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433322404 489875803 /nfs/dbraw/zinc/87/58/03/489875803.db2.gz QKYHVKWNVIJKTD-SJORKVTESA-N 2 1 356.511 0.897 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433322404 489875805 /nfs/dbraw/zinc/87/58/05/489875805.db2.gz QKYHVKWNVIJKTD-SJORKVTESA-N 2 1 356.511 0.897 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433322404 489875810 /nfs/dbraw/zinc/87/58/10/489875810.db2.gz QKYHVKWNVIJKTD-SJORKVTESA-N 2 1 356.511 0.897 10 0 FCAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420098071 489910976 /nfs/dbraw/zinc/91/09/76/489910976.db2.gz AMCHZIJLLANARJ-YSHGAJCASA-N 2 1 370.497 0.691 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420110799 489915741 /nfs/dbraw/zinc/91/57/41/489915741.db2.gz FUGIUWOHVAPENJ-GOEBONIOSA-N 2 1 364.515 0.549 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420131589 489924001 /nfs/dbraw/zinc/92/40/01/489924001.db2.gz ZCLCVTKSNBXTPU-WMZOPIPTSA-N 2 1 358.486 0.835 10 0 FCAEMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420147792 489931452 /nfs/dbraw/zinc/93/14/52/489931452.db2.gz DLBQFWQYHBUBEJ-AWEZNQCLSA-N 2 1 354.401 0.430 10 0 FCAEMP CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420147792 489931456 /nfs/dbraw/zinc/93/14/56/489931456.db2.gz DLBQFWQYHBUBEJ-AWEZNQCLSA-N 2 1 354.401 0.430 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000556068557 491291530 /nfs/dbraw/zinc/29/15/30/491291530.db2.gz FNISWYBFESOMCI-MRXNPFEDSA-N 2 1 354.495 0.062 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000477734580 489988538 /nfs/dbraw/zinc/98/85/38/489988538.db2.gz UAJAXFNZAGVPBG-IAGOWNOFSA-N 2 1 365.522 0.807 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477734580 489988540 /nfs/dbraw/zinc/98/85/40/489988540.db2.gz UAJAXFNZAGVPBG-IAGOWNOFSA-N 2 1 365.522 0.807 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000477734580 489988542 /nfs/dbraw/zinc/98/85/42/489988542.db2.gz UAJAXFNZAGVPBG-IAGOWNOFSA-N 2 1 365.522 0.807 10 0 FCAEMP C[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000382793916 490128588 /nfs/dbraw/zinc/12/85/88/490128588.db2.gz SIRHMJJCVDVDQA-FUHWJXTLSA-N 2 1 367.515 0.901 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465843466 490145962 /nfs/dbraw/zinc/14/59/62/490145962.db2.gz VTSAJIWGNWGTAH-IAGOWNOFSA-N 2 1 363.506 0.585 10 0 FCAEMP COc1cccc([C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)[NH+](C)C)c1 ZINC000392932359 490157272 /nfs/dbraw/zinc/15/72/72/490157272.db2.gz CJOQFBMLZLOPID-HZPDHXFCSA-N 2 1 357.476 0.206 10 0 FCAEMP 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ZINC000627339221 493161572 /nfs/dbraw/zinc/16/15/72/493161572.db2.gz COBICBKMELFZRV-MBNYWOFBSA-N 2 1 350.488 0.478 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000627339221 493161576 /nfs/dbraw/zinc/16/15/76/493161576.db2.gz COBICBKMELFZRV-MBNYWOFBSA-N 2 1 350.488 0.478 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000627339926 493162685 /nfs/dbraw/zinc/16/26/85/493162685.db2.gz UXPCRBQQMJJDGJ-OAHLLOKOSA-N 2 1 374.485 0.174 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000627339926 493162690 /nfs/dbraw/zinc/16/26/90/493162690.db2.gz UXPCRBQQMJJDGJ-OAHLLOKOSA-N 2 1 374.485 0.174 10 0 FCAEMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659431634 493175954 /nfs/dbraw/zinc/17/59/54/493175954.db2.gz NZQKZSVWAKNOKU-UHFFFAOYSA-N 2 1 359.478 0.040 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccc(F)cc1 ZINC000627393862 493199486 /nfs/dbraw/zinc/19/94/86/493199486.db2.gz NSHRRCUHZLKYQX-MRXNPFEDSA-N 2 1 362.449 0.775 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672543343 493201173 /nfs/dbraw/zinc/20/11/73/493201173.db2.gz FWNYMNYFSHAIMX-GOEBONIOSA-N 2 1 354.495 0.060 10 0 FCAEMP CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672543343 493201179 /nfs/dbraw/zinc/20/11/79/493201179.db2.gz FWNYMNYFSHAIMX-GOEBONIOSA-N 2 1 354.495 0.060 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506709 493202632 /nfs/dbraw/zinc/20/26/32/493202632.db2.gz AGINKDOCIWPYOH-IBGZPJMESA-N 2 1 374.533 0.007 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659506709 493202639 /nfs/dbraw/zinc/20/26/39/493202639.db2.gz AGINKDOCIWPYOH-IBGZPJMESA-N 2 1 374.533 0.007 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581496 493216056 /nfs/dbraw/zinc/21/60/56/493216056.db2.gz NNGPBZWLOBXNLA-ZTFGCOKTSA-N 2 1 364.465 0.979 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581496 493216059 /nfs/dbraw/zinc/21/60/59/493216059.db2.gz NNGPBZWLOBXNLA-ZTFGCOKTSA-N 2 1 364.465 0.979 10 0 FCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659592739 493217849 /nfs/dbraw/zinc/21/78/49/493217849.db2.gz MNAPKOKVJQYXTA-ZTFGCOKTSA-N 2 1 364.465 0.979 10 0 FCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659592739 493217851 /nfs/dbraw/zinc/21/78/51/493217851.db2.gz MNAPKOKVJQYXTA-ZTFGCOKTSA-N 2 1 364.465 0.979 10 0 FCAEMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CCOC2(C[NH2+]C2)C1 ZINC000659608092 493220040 /nfs/dbraw/zinc/22/00/40/493220040.db2.gz KJCIVAXHKFQSFC-HUUCEWRRSA-N 2 1 350.463 0.014 10 0 FCAEMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000659626073 493222113 /nfs/dbraw/zinc/22/21/13/493222113.db2.gz CRSRDJWHLYQSBP-INIZCTEOSA-N 2 1 353.511 0.713 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659626888 493223060 /nfs/dbraw/zinc/22/30/60/493223060.db2.gz NDHACVWLUBPBBZ-KZNAEPCWSA-N 2 1 363.481 0.883 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659626888 493223062 /nfs/dbraw/zinc/22/30/62/493223062.db2.gz NDHACVWLUBPBBZ-KZNAEPCWSA-N 2 1 363.481 0.883 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659691207 493256191 /nfs/dbraw/zinc/25/61/91/493256191.db2.gz VDTJTDDBZVOJSW-BRWVUGGUSA-N 2 1 362.449 0.665 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659695548 493257571 /nfs/dbraw/zinc/25/75/71/493257571.db2.gz AMAQXGAUMBQKGT-UAGQMJEPSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659695548 493257573 /nfs/dbraw/zinc/25/75/73/493257573.db2.gz AMAQXGAUMBQKGT-UAGQMJEPSA-N 2 1 366.506 0.060 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659699133 493259984 /nfs/dbraw/zinc/25/99/84/493259984.db2.gz QJEPZVLTMXMCIM-QGZVFWFLSA-N 2 1 368.522 0.309 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659700547 493261414 /nfs/dbraw/zinc/26/14/14/493261414.db2.gz NNLNOCKRYJZKCM-DSRNLFJRSA-N 2 1 356.470 0.573 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c(N2CCCC2)[nH+]1 ZINC000659701815 493262819 /nfs/dbraw/zinc/26/28/19/493262819.db2.gz JUFODDZJCFJJTH-UHFFFAOYSA-N 2 1 357.458 0.556 10 0 FCAEMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659705540 493264285 /nfs/dbraw/zinc/26/42/85/493264285.db2.gz YGQQYPGOUYQWCG-MSOLQXFVSA-N 2 1 362.518 0.825 10 0 FCAEMP CC1[C@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000667182068 493265261 /nfs/dbraw/zinc/26/52/61/493265261.db2.gz UAZDKINKLGCIFI-USJZOSNVSA-N 2 1 360.502 0.574 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659711132 493266787 /nfs/dbraw/zinc/26/67/87/493266787.db2.gz XABWWWUNWDNYGY-KURKYZTESA-N 2 1 362.518 0.968 10 0 FCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659739771 493280317 /nfs/dbraw/zinc/28/03/17/493280317.db2.gz ZXRJHZWRTICPNJ-IAGOWNOFSA-N 2 1 350.507 0.825 10 0 FCAEMP [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000659740068 493280330 /nfs/dbraw/zinc/28/03/30/493280330.db2.gz KBNZYALZKPRUDB-ZWKOTPCHSA-N 2 1 370.497 0.965 10 0 FCAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659742675 493282085 /nfs/dbraw/zinc/28/20/85/493282085.db2.gz CRRBKEXDXNHEMB-OHTSDLOESA-N 2 1 356.470 0.588 10 0 FCAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000673122711 493292735 /nfs/dbraw/zinc/29/27/35/493292735.db2.gz BFRSLAPIPYUWMB-DQIHPLBOSA-N 2 1 366.506 0.031 10 0 FCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000673122711 493292739 /nfs/dbraw/zinc/29/27/39/493292739.db2.gz BFRSLAPIPYUWMB-DQIHPLBOSA-N 2 1 366.506 0.031 10 0 FCAEMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000673122711 493292741 /nfs/dbraw/zinc/29/27/41/493292741.db2.gz BFRSLAPIPYUWMB-DQIHPLBOSA-N 2 1 366.506 0.031 10 0 FCAEMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000673122711 493292745 /nfs/dbraw/zinc/29/27/45/493292745.db2.gz BFRSLAPIPYUWMB-DQIHPLBOSA-N 2 1 366.506 0.031 10 0 FCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673299665 493314496 /nfs/dbraw/zinc/31/44/96/493314496.db2.gz GVMXZQWXWVRFKV-BRWVUGGUSA-N 2 1 371.485 0.862 10 0 FCAEMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000668329289 493331731 /nfs/dbraw/zinc/33/17/31/493331731.db2.gz RFQXAPQJUZROBJ-HZPDHXFCSA-N 2 1 366.506 0.204 10 0 FCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870986 493370238 /nfs/dbraw/zinc/37/02/38/493370238.db2.gz GJFDIJXJPNQXLV-UHFFFAOYSA-N 2 1 365.526 0.934 10 0 FCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870986 493370239 /nfs/dbraw/zinc/37/02/39/493370239.db2.gz GJFDIJXJPNQXLV-UHFFFAOYSA-N 2 1 365.526 0.934 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000668728982 493403119 /nfs/dbraw/zinc/40/31/19/493403119.db2.gz YQGMHPJSMSDJDB-CVEARBPZSA-N 2 1 354.495 0.014 10 0 FCAEMP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668728982 493403121 /nfs/dbraw/zinc/40/31/21/493403121.db2.gz YQGMHPJSMSDJDB-CVEARBPZSA-N 2 1 354.495 0.014 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000668776788 493408312 /nfs/dbraw/zinc/40/83/12/493408312.db2.gz HEIXBULDNNNXFI-MRXNPFEDSA-N 2 1 354.495 0.156 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668786853 493410524 /nfs/dbraw/zinc/41/05/24/493410524.db2.gz IZBPBOMDXTYWLP-LSDHHAIUSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668786853 493410526 /nfs/dbraw/zinc/41/05/26/493410526.db2.gz IZBPBOMDXTYWLP-LSDHHAIUSA-N 2 1 354.495 0.202 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668786853 493410527 /nfs/dbraw/zinc/41/05/27/493410527.db2.gz IZBPBOMDXTYWLP-LSDHHAIUSA-N 2 1 354.495 0.202 10 0 FCAEMP C(=C/C[N@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143371 493411626 /nfs/dbraw/zinc/41/16/26/493411626.db2.gz UBGRGVBBHJIHJJ-QLJMBOKNSA-N 2 1 356.478 0.770 10 0 FCAEMP C[C@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000669178627 493473291 /nfs/dbraw/zinc/47/32/91/493473291.db2.gz HLQMMFMOQKKZRX-ADHGMGHFSA-N 2 1 364.534 0.974 10 0 FCAEMP C[C@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000669178627 493473295 /nfs/dbraw/zinc/47/32/95/493473295.db2.gz HLQMMFMOQKKZRX-ADHGMGHFSA-N 2 1 364.534 0.974 10 0 FCAEMP C[C@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000669178627 493473296 /nfs/dbraw/zinc/47/32/96/493473296.db2.gz HLQMMFMOQKKZRX-ADHGMGHFSA-N 2 1 364.534 0.974 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662152858 493493129 /nfs/dbraw/zinc/49/31/29/493493129.db2.gz IHCGSWHBSMHDJM-PMACEKPBSA-N 2 1 374.529 0.937 10 0 FCAEMP CCN(CCNC(=O)C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)CCC(F)(F)F ZINC000669332897 493496560 /nfs/dbraw/zinc/49/65/60/493496560.db2.gz DSNPVPVPSURUAB-CYBMUJFWSA-N 2 1 366.428 0.930 10 0 FCAEMP CCN(C(=O)C(=O)NCC[NH+](CC)CCC(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000669332897 493496562 /nfs/dbraw/zinc/49/65/62/493496562.db2.gz DSNPVPVPSURUAB-CYBMUJFWSA-N 2 1 366.428 0.930 10 0 FCAEMP CCN(C(=O)C(=O)NCC[NH+](CC)CCC(F)(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000669332897 493496563 /nfs/dbraw/zinc/49/65/63/493496563.db2.gz DSNPVPVPSURUAB-CYBMUJFWSA-N 2 1 366.428 0.930 10 0 FCAEMP CCN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)[C@@H]1CC[NH+](C)C1 ZINC000669332897 493496565 /nfs/dbraw/zinc/49/65/65/493496565.db2.gz DSNPVPVPSURUAB-CYBMUJFWSA-N 2 1 366.428 0.930 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000669402983 493502196 /nfs/dbraw/zinc/50/21/96/493502196.db2.gz DACOECLUNNFTHP-PMPSAXMXSA-N 2 1 351.495 0.370 10 0 FCAEMP COCCCNC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338998 493507959 /nfs/dbraw/zinc/50/79/59/493507959.db2.gz YXOWARPONRFZRE-OAHLLOKOSA-N 2 1 364.494 0.151 10 0 FCAEMP COCCCNC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338998 493507962 /nfs/dbraw/zinc/50/79/62/493507962.db2.gz YXOWARPONRFZRE-OAHLLOKOSA-N 2 1 364.494 0.151 10 0 FCAEMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662342049 493508464 /nfs/dbraw/zinc/50/84/64/493508464.db2.gz VIBBONATDPLCQW-CQSZACIVSA-N 2 1 369.263 0.339 10 0 FCAEMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000675898894 493511092 /nfs/dbraw/zinc/51/10/92/493511092.db2.gz RALBDBFJWVZQLK-VQTJNVASSA-N 2 1 374.529 0.718 10 0 FCAEMP C[NH+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675898894 493511094 /nfs/dbraw/zinc/51/10/94/493511094.db2.gz RALBDBFJWVZQLK-VQTJNVASSA-N 2 1 374.529 0.718 10 0 FCAEMP C[NH+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000675898894 493511096 /nfs/dbraw/zinc/51/10/96/493511096.db2.gz RALBDBFJWVZQLK-VQTJNVASSA-N 2 1 374.529 0.718 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000676088953 493522702 /nfs/dbraw/zinc/52/27/02/493522702.db2.gz FRFCVOYGFJLKTE-HZPDHXFCSA-N 2 1 354.414 0.949 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC000676092989 493523596 /nfs/dbraw/zinc/52/35/96/493523596.db2.gz AVQMSTOKGMJQHP-UHFFFAOYSA-N 2 1 364.494 0.716 10 0 FCAEMP C[C@@H]1C[N@H+](CCCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662690280 493532210 /nfs/dbraw/zinc/53/22/10/493532210.db2.gz ZIIRHSLHHXSYGE-GASCZTMLSA-N 2 1 364.494 0.822 10 0 FCAEMP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)on1 ZINC000662732756 493536205 /nfs/dbraw/zinc/53/62/05/493536205.db2.gz FUNSMNUICVVWBR-CYBMUJFWSA-N 2 1 351.451 0.005 10 0 FCAEMP CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000676343704 493546695 /nfs/dbraw/zinc/54/66/95/493546695.db2.gz TXNYQBDNHHAQJT-UHFFFAOYSA-N 2 1 364.494 0.784 10 0 FCAEMP [NH3+]CCCCn1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000662857912 493547574 /nfs/dbraw/zinc/54/75/74/493547574.db2.gz CUWPOMGXROMSHB-KRWDZBQOSA-N 2 1 372.473 0.514 10 0 FCAEMP O=C(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000662926858 493554405 /nfs/dbraw/zinc/55/44/05/493554405.db2.gz QLTYHLCIVWLEBV-SFHVURJKSA-N 2 1 362.518 0.779 10 0 FCAEMP COC1(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000662941047 493557259 /nfs/dbraw/zinc/55/72/59/493557259.db2.gz SAOVWXFBAMXRNY-GOSISDBHSA-N 2 1 360.502 0.687 10 0 FCAEMP COC1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000662941047 493557261 /nfs/dbraw/zinc/55/72/61/493557261.db2.gz SAOVWXFBAMXRNY-GOSISDBHSA-N 2 1 360.502 0.687 10 0 FCAEMP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC000670407276 493561459 /nfs/dbraw/zinc/56/14/59/493561459.db2.gz NTBHFUMZNXIOMB-HXUWFJFHSA-N 2 1 371.529 0.554 10 0 FCAEMP Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1 ZINC000670435905 493566920 /nfs/dbraw/zinc/56/69/20/493566920.db2.gz IFKLKHLBZOIDIS-AWEZNQCLSA-N 2 1 363.462 0.226 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000677868685 493620320 /nfs/dbraw/zinc/62/03/20/493620320.db2.gz MKUJNMDGDSQWOF-YYIAUSFCSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000677868685 493620322 /nfs/dbraw/zinc/62/03/22/493620322.db2.gz MKUJNMDGDSQWOF-YYIAUSFCSA-N 2 1 350.507 0.824 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000677868685 493620323 /nfs/dbraw/zinc/62/03/23/493620323.db2.gz MKUJNMDGDSQWOF-YYIAUSFCSA-N 2 1 350.507 0.824 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671106054 493635625 /nfs/dbraw/zinc/63/56/25/493635625.db2.gz XPZGAFFARULFQO-SJORKVTESA-N 2 1 350.507 0.968 10 0 FCAEMP C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000664223106 493645924 /nfs/dbraw/zinc/64/59/24/493645924.db2.gz XYZPMKPPTOVMOW-ROUUACIJSA-N 2 1 369.554 0.622 10 0 FCAEMP C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000664223109 493645969 /nfs/dbraw/zinc/64/59/69/493645969.db2.gz XYZPMKPPTOVMOW-ZWKOTPCHSA-N 2 1 369.554 0.622 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000664314075 493652164 /nfs/dbraw/zinc/65/21/64/493652164.db2.gz DVXCFPJCLPMPPV-ZDUSSCGKSA-N 2 1 371.507 0.728 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000664314075 493652166 /nfs/dbraw/zinc/65/21/66/493652166.db2.gz DVXCFPJCLPMPPV-ZDUSSCGKSA-N 2 1 371.507 0.728 10 0 FCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671343513 493657536 /nfs/dbraw/zinc/65/75/36/493657536.db2.gz NOMJWYAXROKZOV-RBUKOAKNSA-N 2 1 372.513 0.876 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671376876 493662274 /nfs/dbraw/zinc/66/22/74/493662274.db2.gz GQWFYKJYLNFLNQ-GDBMZVCRSA-N 2 1 354.495 0.060 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671376876 493662275 /nfs/dbraw/zinc/66/22/75/493662275.db2.gz GQWFYKJYLNFLNQ-GDBMZVCRSA-N 2 1 354.495 0.060 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000671390941 493663281 /nfs/dbraw/zinc/66/32/81/493663281.db2.gz KHNJEGCDJFUJGR-AWEZNQCLSA-N 2 1 350.488 0.433 10 0 FCAEMP CN1CCC[C@H](NC(=O)C(=O)NCCN2CCc3sccc3C2)C1 ZINC000671390941 493663282 /nfs/dbraw/zinc/66/32/82/493663282.db2.gz KHNJEGCDJFUJGR-AWEZNQCLSA-N 2 1 350.488 0.433 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000664583448 493669393 /nfs/dbraw/zinc/66/93/93/493669393.db2.gz WNDKKPOUTCRVGC-ARFHVFGLSA-N 2 1 371.526 0.193 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000664583448 493669394 /nfs/dbraw/zinc/66/93/94/493669394.db2.gz WNDKKPOUTCRVGC-ARFHVFGLSA-N 2 1 371.526 0.193 10 0 FCAEMP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664730885 493680183 /nfs/dbraw/zinc/68/01/83/493680183.db2.gz BSLGHLIXAPGXEI-HZPDHXFCSA-N 2 1 354.495 0.507 10 0 FCAEMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CCCO1 ZINC000664759358 493681766 /nfs/dbraw/zinc/68/17/66/493681766.db2.gz UHANIRIPLNSAIN-AEFFLSMTSA-N 2 1 368.522 0.728 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCO1 ZINC000664759358 493681767 /nfs/dbraw/zinc/68/17/67/493681767.db2.gz UHANIRIPLNSAIN-AEFFLSMTSA-N 2 1 368.522 0.728 10 0 FCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363166 493711759 /nfs/dbraw/zinc/71/17/59/493711759.db2.gz UHRCKLPADAHSEM-JKSUJKDBSA-N 2 1 365.522 0.807 10 0 FCAEMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665363166 493711762 /nfs/dbraw/zinc/71/17/62/493711762.db2.gz UHRCKLPADAHSEM-JKSUJKDBSA-N 2 1 365.522 0.807 10 0 FCAEMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665363166 493711765 /nfs/dbraw/zinc/71/17/65/493711765.db2.gz UHRCKLPADAHSEM-JKSUJKDBSA-N 2 1 365.522 0.807 10 0 FCAEMP CNC(=O)CC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665759448 493733079 /nfs/dbraw/zinc/73/30/79/493733079.db2.gz HDBPBJQQTUFLBB-HNNXBMFYSA-N 2 1 355.527 0.816 10 0 FCAEMP CNC(=O)CC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665759448 493733080 /nfs/dbraw/zinc/73/30/80/493733080.db2.gz HDBPBJQQTUFLBB-HNNXBMFYSA-N 2 1 355.527 0.816 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000665760634 493734115 /nfs/dbraw/zinc/73/41/15/493734115.db2.gz LZHCQGBACAWUCP-XHSDSOJGSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000665760634 493734117 /nfs/dbraw/zinc/73/41/17/493734117.db2.gz LZHCQGBACAWUCP-XHSDSOJGSA-N 2 1 353.511 0.711 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000665762497 493734359 /nfs/dbraw/zinc/73/43/59/493734359.db2.gz GMRGSKVAZYEUEX-IRXDYDNUSA-N 2 1 357.543 0.621 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000665762497 493734361 /nfs/dbraw/zinc/73/43/61/493734361.db2.gz GMRGSKVAZYEUEX-IRXDYDNUSA-N 2 1 357.543 0.621 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(Cn2cncn2)CC1 ZINC000665761908 493734654 /nfs/dbraw/zinc/73/46/54/493734654.db2.gz UHMKMJIWTVSIJG-INIZCTEOSA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(Cn2cncn2)CC1 ZINC000665761908 493734657 /nfs/dbraw/zinc/73/46/57/493734657.db2.gz UHMKMJIWTVSIJG-INIZCTEOSA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(Cn2cnnc2)CC1 ZINC000665763518 493735274 /nfs/dbraw/zinc/73/52/74/493735274.db2.gz DFHHIGAGOFKDTJ-INIZCTEOSA-N 2 1 365.526 0.972 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(Cn2cnnc2)CC1 ZINC000665763518 493735277 /nfs/dbraw/zinc/73/52/77/493735277.db2.gz DFHHIGAGOFKDTJ-INIZCTEOSA-N 2 1 365.526 0.972 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000672164359 493739677 /nfs/dbraw/zinc/73/96/77/493739677.db2.gz YPQREROQGXFVEJ-BRWVUGGUSA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000410734658 533888456 /nfs/dbraw/zinc/88/84/56/533888456.db2.gz VBOCDVXBBDEMML-BZUAXINKSA-N 2 1 368.522 0.231 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000410734658 533888472 /nfs/dbraw/zinc/88/84/72/533888472.db2.gz VBOCDVXBBDEMML-BZUAXINKSA-N 2 1 368.522 0.231 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000410734658 533888483 /nfs/dbraw/zinc/88/84/83/533888483.db2.gz VBOCDVXBBDEMML-BZUAXINKSA-N 2 1 368.522 0.231 10 0 FCAEMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000410734658 533888493 /nfs/dbraw/zinc/88/84/93/533888493.db2.gz VBOCDVXBBDEMML-BZUAXINKSA-N 2 1 368.522 0.231 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414657555 535110407 /nfs/dbraw/zinc/11/04/07/535110407.db2.gz HRMNVQWUJVADIO-KRWDZBQOSA-N 2 1 360.458 0.701 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H]2[C@H](C)O)C1 ZINC000443339270 535117013 /nfs/dbraw/zinc/11/70/13/535117013.db2.gz BYIZDYNABSQCBK-FJIDUMEYSA-N 2 1 355.523 0.941 10 0 FCAEMP 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FZEKXLVPTQENSN-MRXNPFEDSA-N 2 1 357.543 0.668 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896898817 665128152 /nfs/dbraw/zinc/12/81/52/665128152.db2.gz WZHHCBWLRGYQAB-INIZCTEOSA-N 2 1 352.523 0.487 10 0 FCAEMP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCSC1 ZINC000921312092 666434073 /nfs/dbraw/zinc/43/40/73/666434073.db2.gz OXWHQAYBLPKVSR-NVXWUHKLSA-N 2 1 356.536 0.976 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000941216156 666593665 /nfs/dbraw/zinc/59/36/65/666593665.db2.gz HNOHSNOKSWPVPN-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000941216156 666593668 /nfs/dbraw/zinc/59/36/68/666593668.db2.gz HNOHSNOKSWPVPN-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000941216156 666593670 /nfs/dbraw/zinc/59/36/70/666593670.db2.gz HNOHSNOKSWPVPN-BRWVUGGUSA-N 2 1 350.507 0.729 10 0 FCAEMP 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FCAEMP C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312982 671182164 /nfs/dbraw/zinc/18/21/64/671182164.db2.gz XAFRTZSLRFAMMG-NRKLIOEPSA-N 2 1 354.495 0.647 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312982 671182165 /nfs/dbraw/zinc/18/21/65/671182165.db2.gz XAFRTZSLRFAMMG-NRKLIOEPSA-N 2 1 354.495 0.647 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847312982 671182168 /nfs/dbraw/zinc/18/21/68/671182168.db2.gz XAFRTZSLRFAMMG-NRKLIOEPSA-N 2 1 354.495 0.647 10 0 FCAEMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1CC[NH3+] ZINC000903498761 675934200 /nfs/dbraw/zinc/93/42/00/675934200.db2.gz CZWNYHWPSUOSCZ-UKRRQHHQSA-N 2 1 353.488 0.623 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1CC[NH3+] ZINC000903498761 675934203 /nfs/dbraw/zinc/93/42/03/675934203.db2.gz CZWNYHWPSUOSCZ-UKRRQHHQSA-N 2 1 353.488 0.623 10 0 FCAEMP 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/nfs/dbraw/zinc/28/96/48/1208289648.db2.gz ISEHLQKWNJAISV-QLPKVWCKSA-N 2 1 366.506 0.948 10 0 FCAEMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001198769042 1208289651 /nfs/dbraw/zinc/28/96/51/1208289651.db2.gz ISEHLQKWNJAISV-QLPKVWCKSA-N 2 1 366.506 0.948 10 0 FCAEMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000867433177 1208480879 /nfs/dbraw/zinc/48/08/79/1208480879.db2.gz FBSLVBOMBBQCHT-MRXNPFEDSA-N 2 1 366.506 0.110 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC001488831991 1208555971 /nfs/dbraw/zinc/55/59/71/1208555971.db2.gz ZFVNURHYMIAEAN-KFGODFMUSA-N 2 1 363.506 0.459 10 0 FCAEMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001488901643 1208562067 /nfs/dbraw/zinc/56/20/67/1208562067.db2.gz BBIAWCBSSJYNFX-ZNMIVQPWSA-N 2 1 360.462 0.384 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001488912646 1208565981 /nfs/dbraw/zinc/56/59/81/1208565981.db2.gz VXCCGDTZRLAEKX-QKPAOTATSA-N 2 1 359.536 0.636 10 0 FCAEMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001488967477 1208589298 /nfs/dbraw/zinc/58/92/98/1208589298.db2.gz BDTPACBIYNXCCQ-BBWFWOEESA-N 2 1 368.522 0.354 10 0 FCAEMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC(C)C)C2)C1 ZINC001488967477 1208589305 /nfs/dbraw/zinc/58/93/05/1208589305.db2.gz BDTPACBIYNXCCQ-BBWFWOEESA-N 2 1 368.522 0.354 10 0 FCAEMP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cnn(C)c2)n1 ZINC001488981354 1208597483 /nfs/dbraw/zinc/59/74/83/1208597483.db2.gz XXYKYOLDWMEJHS-DLBZAZTESA-N 2 1 371.489 0.554 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001489011722 1208606458 /nfs/dbraw/zinc/60/64/58/1208606458.db2.gz YJKMHSYBMYLDBQ-BFYDXBDKSA-N 2 1 368.522 0.401 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001489147933 1208646121 /nfs/dbraw/zinc/64/61/21/1208646121.db2.gz UGWQIUCWRMSLHB-LSDHHAIUSA-N 2 1 367.494 0.287 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001489147933 1208646126 /nfs/dbraw/zinc/64/61/26/1208646126.db2.gz UGWQIUCWRMSLHB-LSDHHAIUSA-N 2 1 367.494 0.287 10 0 FCAEMP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001489193352 1208656041 /nfs/dbraw/zinc/65/60/41/1208656041.db2.gz KPCVRTHEWDJANB-WCXIOVBPSA-N 2 1 350.507 0.633 10 0 FCAEMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001489193352 1208656042 /nfs/dbraw/zinc/65/60/42/1208656042.db2.gz KPCVRTHEWDJANB-WCXIOVBPSA-N 2 1 350.507 0.633 10 0 FCAEMP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001489193352 1208656044 /nfs/dbraw/zinc/65/60/44/1208656044.db2.gz KPCVRTHEWDJANB-WCXIOVBPSA-N 2 1 350.507 0.633 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001489203239 1208665593 /nfs/dbraw/zinc/66/55/93/1208665593.db2.gz ZBLGASKLVIHEMA-MSOLQXFVSA-N 2 1 364.490 0.761 10 0 FCAEMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001489203239 1208665598 /nfs/dbraw/zinc/66/55/98/1208665598.db2.gz ZBLGASKLVIHEMA-MSOLQXFVSA-N 2 1 364.490 0.761 10 0 FCAEMP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001489206149 1208670474 /nfs/dbraw/zinc/67/04/74/1208670474.db2.gz ODUSEVKAAHPQTK-KURKYZTESA-N 2 1 362.518 0.587 10 0 FCAEMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001489206149 1208670478 /nfs/dbraw/zinc/67/04/78/1208670478.db2.gz ODUSEVKAAHPQTK-KURKYZTESA-N 2 1 362.518 0.587 10 0 FCAEMP CN(CC1CC1)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001489206149 1208670482 /nfs/dbraw/zinc/67/04/82/1208670482.db2.gz ODUSEVKAAHPQTK-KURKYZTESA-N 2 1 362.518 0.587 10 0 FCAEMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC001489305141 1208738364 /nfs/dbraw/zinc/73/83/64/1208738364.db2.gz NOLBBMIISRHTLX-KGLIPLIRSA-N 2 1 367.494 0.238 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC001489305141 1208738371 /nfs/dbraw/zinc/73/83/71/1208738371.db2.gz NOLBBMIISRHTLX-KGLIPLIRSA-N 2 1 367.494 0.238 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC001489305141 1208738374 /nfs/dbraw/zinc/73/83/74/1208738374.db2.gz NOLBBMIISRHTLX-KGLIPLIRSA-N 2 1 367.494 0.238 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC001489305141 1208738384 /nfs/dbraw/zinc/73/83/84/1208738384.db2.gz NOLBBMIISRHTLX-KGLIPLIRSA-N 2 1 367.494 0.238 10 0 FCAEMP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)[NH+]1CCCC1 ZINC001489359237 1208819238 /nfs/dbraw/zinc/81/92/38/1208819238.db2.gz FMMPZUCDLFHCKM-JFIYKMOQSA-N 2 1 368.522 0.135 10 0 FCAEMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001489512164 1208869438 /nfs/dbraw/zinc/86/94/38/1208869438.db2.gz ISBMITFUUSNBKB-RBSFLKMASA-N 2 1 354.495 0.153 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001489512164 1208869442 /nfs/dbraw/zinc/86/94/42/1208869442.db2.gz ISBMITFUUSNBKB-RBSFLKMASA-N 2 1 354.495 0.153 10 0 FCAEMP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001489512164 1208869443 /nfs/dbraw/zinc/86/94/43/1208869443.db2.gz ISBMITFUUSNBKB-RBSFLKMASA-N 2 1 354.495 0.153 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001489590046 1209010034 /nfs/dbraw/zinc/01/00/34/1209010034.db2.gz STOGFWINLOZIJF-IKGGRYGDSA-N 2 1 366.506 0.033 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CCc1nccn1C ZINC001490344063 1209307857 /nfs/dbraw/zinc/30/78/57/1209307857.db2.gz AKCHNQGFEYUXNQ-BZUAXINKSA-N 2 1 361.490 0.658 10 0 FCAEMP CC(=O)NCCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001490793564 1209432671 /nfs/dbraw/zinc/43/26/71/1209432671.db2.gz YBKVOLQZADINCJ-NRSFXHEJSA-N 2 1 366.506 0.155 10 0 FCAEMP CC(=O)NCCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001490793564 1209432674 /nfs/dbraw/zinc/43/26/74/1209432674.db2.gz YBKVOLQZADINCJ-NRSFXHEJSA-N 2 1 366.506 0.155 10 0 FCAEMP CC(=O)NCCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490793564 1209432678 /nfs/dbraw/zinc/43/26/78/1209432678.db2.gz YBKVOLQZADINCJ-NRSFXHEJSA-N 2 1 366.506 0.155 10 0 FCAEMP CC(=O)NCCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490793564 1209432682 /nfs/dbraw/zinc/43/26/82/1209432682.db2.gz YBKVOLQZADINCJ-NRSFXHEJSA-N 2 1 366.506 0.155 10 0 FCAEMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852863861 1209569393 /nfs/dbraw/zinc/56/93/93/1209569393.db2.gz JRKMAPKLRCOVJS-UKRRQHHQSA-N 2 1 359.430 0.426 10 0 FCAEMP [NH3+]C[C@H]1CC(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852872145 1209570528 /nfs/dbraw/zinc/57/05/28/1209570528.db2.gz BQVGIVVQPHSUMB-GOSISDBHSA-N 2 1 373.501 0.804 10 0 FCAEMP CN1CC[N@@H+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872587 1209571358 /nfs/dbraw/zinc/57/13/58/1209571358.db2.gz IJJTYGWLLJWHOO-SJLPKXTDSA-N 2 1 359.474 0.585 10 0 FCAEMP C[N@@H+]1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872587 1209571365 /nfs/dbraw/zinc/57/13/65/1209571365.db2.gz IJJTYGWLLJWHOO-SJLPKXTDSA-N 2 1 359.474 0.585 10 0 FCAEMP C[N@H+]1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872587 1209571372 /nfs/dbraw/zinc/57/13/72/1209571372.db2.gz IJJTYGWLLJWHOO-SJLPKXTDSA-N 2 1 359.474 0.585 10 0 FCAEMP CN1CC[N@@H+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872586 1209571664 /nfs/dbraw/zinc/57/16/64/1209571664.db2.gz IJJTYGWLLJWHOO-FUHWJXTLSA-N 2 1 359.474 0.585 10 0 FCAEMP C[N@@H+]1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872586 1209571674 /nfs/dbraw/zinc/57/16/74/1209571674.db2.gz IJJTYGWLLJWHOO-FUHWJXTLSA-N 2 1 359.474 0.585 10 0 FCAEMP C[N@H+]1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000852872586 1209571684 /nfs/dbraw/zinc/57/16/84/1209571684.db2.gz IJJTYGWLLJWHOO-FUHWJXTLSA-N 2 1 359.474 0.585 10 0 FCAEMP CCCCOCCNC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549474 1209944662 /nfs/dbraw/zinc/94/46/62/1209944662.db2.gz DWDSQZAOTJNIAB-CVEARBPZSA-N 2 1 368.478 0.176 10 0 FCAEMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549570 1209944739 /nfs/dbraw/zinc/94/47/39/1209944739.db2.gz MOVPZDPSZLNCEN-RDGPPVDQSA-N 3 1 374.485 0.174 10 0 FCAEMP Cc1ccc(CNC(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863550525 1209944912 /nfs/dbraw/zinc/94/49/12/1209944912.db2.gz YPARFBOZQMMKDG-MSOLQXFVSA-N 2 1 372.469 0.868 10 0 FCAEMP CN(C(=O)C(F)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000865718266 1209983361 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O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC[C@@H](C2CC2)C1 ZINC000903754873 1218516507 /nfs/dbraw/zinc/51/65/07/1218516507.db2.gz TXOLVPLXRLBRIO-NXHRZFHOSA-N 2 1 360.502 0.672 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cnn1C ZINC000903909728 1218562232 /nfs/dbraw/zinc/56/22/32/1218562232.db2.gz XYAVKXVYLIKTBW-MRXNPFEDSA-N 2 1 370.501 0.767 10 0 FCAEMP Cc1cc(N2CC[C@@H]([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2=O)n(C)n1 ZINC000903922624 1218566106 /nfs/dbraw/zinc/56/61/06/1218566106.db2.gz ASXYQQNQPOOQCU-UKRRQHHQSA-N 2 1 358.450 0.140 10 0 FCAEMP CCCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491019249 1220071592 /nfs/dbraw/zinc/07/15/92/1220071592.db2.gz XITIJLDRTHPTJV-APIJFGDWSA-N 2 1 367.494 0.189 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001491457446 1220139959 /nfs/dbraw/zinc/13/99/59/1220139959.db2.gz RDPAIKJOKRNMNW-GMTAPVOTSA-N 2 1 363.388 0.170 10 0 FCAEMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnnn1CC(F)(F)F ZINC001491457446 1220139963 /nfs/dbraw/zinc/13/99/63/1220139963.db2.gz RDPAIKJOKRNMNW-GMTAPVOTSA-N 2 1 363.388 0.170 10 0 FCAEMP CN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@H]1c1ccc(F)cc1 ZINC001117125503 1221474127 /nfs/dbraw/zinc/47/41/27/1221474127.db2.gz CIHKMCVJYHFRJW-DLBZAZTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC001117125503 1221474137 /nfs/dbraw/zinc/47/41/37/1221474137.db2.gz CIHKMCVJYHFRJW-DLBZAZTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC001117125503 1221474141 /nfs/dbraw/zinc/47/41/41/1221474141.db2.gz CIHKMCVJYHFRJW-DLBZAZTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC001117125503 1221474145 /nfs/dbraw/zinc/47/41/45/1221474145.db2.gz CIHKMCVJYHFRJW-DLBZAZTESA-N 2 1 362.449 0.898 10 0 FCAEMP CN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H]1c1ccc(F)cc1 ZINC001117125507 1221474189 /nfs/dbraw/zinc/47/41/89/1221474189.db2.gz CIHKMCVJYHFRJW-SJORKVTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC001117125507 1221474197 /nfs/dbraw/zinc/47/41/97/1221474197.db2.gz CIHKMCVJYHFRJW-SJORKVTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC001117125507 1221474199 /nfs/dbraw/zinc/47/41/99/1221474199.db2.gz CIHKMCVJYHFRJW-SJORKVTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC001117125507 1221474203 /nfs/dbraw/zinc/47/42/03/1221474203.db2.gz CIHKMCVJYHFRJW-SJORKVTESA-N 2 1 362.449 0.898 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001118265646 1221747070 /nfs/dbraw/zinc/74/70/70/1221747070.db2.gz UXNDJOJBRANMOS-AWEZNQCLSA-N 2 1 357.458 0.980 10 0 FCAEMP Cn1nccc1[C@H](O)C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001119544335 1221931212 /nfs/dbraw/zinc/93/12/12/1221931212.db2.gz LVEXTMFNXIKHMR-MAUKXSAKSA-N 2 1 359.478 0.882 10 0 FCAEMP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123793989 1222358195 /nfs/dbraw/zinc/35/81/95/1222358195.db2.gz HGXVLGMJKSSZHG-MLHJIOFPSA-N 3 1 368.570 0.002 10 0 FCAEMP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CN(C)CCN1C ZINC001123793989 1222358198 /nfs/dbraw/zinc/35/81/98/1222358198.db2.gz HGXVLGMJKSSZHG-MLHJIOFPSA-N 2 1 368.570 0.002 10 0 FCAEMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849524143 1245400532 /nfs/dbraw/zinc/40/05/32/1245400532.db2.gz FFWLGBILQRETKD-ZWKOTPCHSA-N 2 1 363.506 0.636 10 0 FCAEMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849524143 1245400534 /nfs/dbraw/zinc/40/05/34/1245400534.db2.gz FFWLGBILQRETKD-ZWKOTPCHSA-N 2 1 363.506 0.636 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)cn1 ZINC000849567255 1245401113 /nfs/dbraw/zinc/40/11/13/1245401113.db2.gz HASWGXIBHTTWAN-IAGOWNOFSA-N 2 1 363.506 0.371 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)cn1 ZINC000849567255 1245401119 /nfs/dbraw/zinc/40/11/19/1245401119.db2.gz HASWGXIBHTTWAN-IAGOWNOFSA-N 2 1 363.506 0.371 10 0 FCAEMP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849571571 1245402052 /nfs/dbraw/zinc/40/20/52/1245402052.db2.gz HHWALSVIQYGKNE-QZTJIDSGSA-N 2 1 365.522 0.930 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000849581565 1245403978 /nfs/dbraw/zinc/40/39/78/1245403978.db2.gz HNWAZPOQKFDNSF-JKSUJKDBSA-N 2 1 357.462 0.527 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000849581565 1245403980 /nfs/dbraw/zinc/40/39/80/1245403980.db2.gz HNWAZPOQKFDNSF-JKSUJKDBSA-N 2 1 357.462 0.527 10 0 FCAEMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000918477419 1245578760 /nfs/dbraw/zinc/57/87/60/1245578760.db2.gz FXJQGGSIZMEZFV-OAHLLOKOSA-N 2 1 359.474 0.587 10 0 FCAEMP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000923199774 1245701402 /nfs/dbraw/zinc/70/14/02/1245701402.db2.gz WKFXVAFENNBXIS-WMZOPIPTSA-N 2 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000923199774 1245701407 /nfs/dbraw/zinc/70/14/07/1245701407.db2.gz WKFXVAFENNBXIS-WMZOPIPTSA-N 3 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000923199774 1245701412 /nfs/dbraw/zinc/70/14/12/1245701412.db2.gz WKFXVAFENNBXIS-WMZOPIPTSA-N 3 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923199774 1245701419 /nfs/dbraw/zinc/70/14/19/1245701419.db2.gz WKFXVAFENNBXIS-WMZOPIPTSA-N 3 1 369.554 0.811 10 0 FCAEMP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000923199774 1245701425 /nfs/dbraw/zinc/70/14/25/1245701425.db2.gz WKFXVAFENNBXIS-WMZOPIPTSA-N 3 1 369.554 0.811 10 0 FCAEMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@@H]([NH2+]CCO)C3)CC2)c1 ZINC000923406152 1245716668 /nfs/dbraw/zinc/71/66/68/1245716668.db2.gz CEJCPHCRAHOTNS-HXUWFJFHSA-N 2 1 374.529 0.686 10 0 FCAEMP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416281 1245717327 /nfs/dbraw/zinc/71/73/27/1245717327.db2.gz VANGQDWGJKIOLX-LHHMISFZSA-N 2 1 361.442 0.602 10 0 FCAEMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462564 1245722488 /nfs/dbraw/zinc/72/24/88/1245722488.db2.gz KZUQVXJIKUMLMW-SFHVURJKSA-N 3 1 373.545 0.651 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000931013968 1245742054 /nfs/dbraw/zinc/74/20/54/1245742054.db2.gz YRNWXBRTZFFFDP-ZDUSSCGKSA-N 2 1 363.462 0.586 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000931013968 1245742062 /nfs/dbraw/zinc/74/20/62/1245742062.db2.gz YRNWXBRTZFFFDP-ZDUSSCGKSA-N 2 1 363.462 0.586 10 0 FCAEMP CC1[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)[C@H]1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001328477844 1265557873 /nfs/dbraw/zinc/55/78/73/1265557873.db2.gz VGFJPAGNCQUIOU-LAQRGFTBSA-N 2 1 364.534 0.785 10 0 FCAEMP C[C@H](CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C[NH+]1CCCC1 ZINC001518833714 1265684043 /nfs/dbraw/zinc/68/40/43/1265684043.db2.gz HTOABPMXHXCXJF-SOLBZPMBSA-N 2 1 354.495 0.243 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001520274765 1265895760 /nfs/dbraw/zinc/89/57/60/1265895760.db2.gz MGHVURGXFDVWRI-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001520274765 1265895766 /nfs/dbraw/zinc/89/57/66/1265895766.db2.gz MGHVURGXFDVWRI-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP 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CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C)[NH+](CC)CC ZINC001479719087 1263387357 /nfs/dbraw/zinc/38/73/57/1263387357.db2.gz YGWVFTLBBXKFTF-OWCLPIDISA-N 2 1 353.511 0.711 10 0 FCAEMP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001316672387 1263415293 /nfs/dbraw/zinc/41/52/93/1263415293.db2.gz SJUTZAHWBFQYSC-ZWKOTPCHSA-N 2 1 363.506 0.827 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001480205337 1263426607 /nfs/dbraw/zinc/42/66/07/1263426607.db2.gz JZFADVRUMNRVDN-ZOFXXKQRSA-N 2 1 366.506 0.106 10 0 FCAEMP Cc1nnc(NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001480765523 1263435512 /nfs/dbraw/zinc/43/55/12/1263435512.db2.gz MQXYNWYRSIUCTG-NQBHXWOUSA-N 2 1 368.507 0.610 10 0 FCAEMP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001480765522 1263435722 /nfs/dbraw/zinc/43/57/22/1263435722.db2.gz MQXYNWYRSIUCTG-DMDPSCGWSA-N 2 1 368.507 0.610 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001316736777 1263444184 /nfs/dbraw/zinc/44/41/84/1263444184.db2.gz PVMMRIUWQRGUQS-YESZJQIVSA-N 2 1 363.506 0.555 10 0 FCAEMP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001316758680 1263463785 /nfs/dbraw/zinc/46/37/85/1263463785.db2.gz LBZTXOQFBNIABI-IKGGRYGDSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC001485055458 1263497326 /nfs/dbraw/zinc/49/73/26/1263497326.db2.gz KHCNGDNVQLKFHO-BZUAXINKSA-N 2 1 351.495 0.275 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001485055458 1263497332 /nfs/dbraw/zinc/49/73/32/1263497332.db2.gz KHCNGDNVQLKFHO-BZUAXINKSA-N 2 1 351.495 0.275 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC001485055458 1263497337 /nfs/dbraw/zinc/49/73/37/1263497337.db2.gz KHCNGDNVQLKFHO-BZUAXINKSA-N 2 1 351.495 0.275 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3ccccc3)C2)CC[N@H+]1C ZINC001317109754 1263503080 /nfs/dbraw/zinc/50/30/80/1263503080.db2.gz OTNWVJHTADCCNJ-NRSFXHEJSA-N 2 1 358.486 0.880 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCC3CCOCC3)C2)CC[N@H+]1C ZINC001485407072 1263504110 /nfs/dbraw/zinc/50/41/10/1263504110.db2.gz JUAMNEDHWJUMHO-NVXWUHKLSA-N 2 1 353.507 0.696 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001317375784 1263509116 /nfs/dbraw/zinc/50/91/16/1263509116.db2.gz MTILLZDQGWKQHU-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001317375784 1263509124 /nfs/dbraw/zinc/50/91/24/1263509124.db2.gz MTILLZDQGWKQHU-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001317375784 1263509130 /nfs/dbraw/zinc/50/91/30/1263509130.db2.gz MTILLZDQGWKQHU-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)C2)CC[NH+]1C ZINC001317375784 1263509138 /nfs/dbraw/zinc/50/91/38/1263509138.db2.gz MTILLZDQGWKQHU-QLFBSQMISA-N 2 1 367.494 0.095 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001317445902 1263510629 /nfs/dbraw/zinc/51/06/29/1263510629.db2.gz NFWALFDYKPWVAM-QLFBSQMISA-N 2 1 369.510 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001317445902 1263510635 /nfs/dbraw/zinc/51/06/35/1263510635.db2.gz NFWALFDYKPWVAM-QLFBSQMISA-N 2 1 369.510 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C)CC[NH+]1C ZINC001317445902 1263510639 /nfs/dbraw/zinc/51/06/39/1263510639.db2.gz NFWALFDYKPWVAM-QLFBSQMISA-N 2 1 369.510 0.387 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C)CC[NH+]1C ZINC001317445902 1263510648 /nfs/dbraw/zinc/51/06/48/1263510648.db2.gz NFWALFDYKPWVAM-QLFBSQMISA-N 2 1 369.510 0.387 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001485685057 1263513694 /nfs/dbraw/zinc/51/36/94/1263513694.db2.gz PQVALAGXMLATPQ-QBPKDAKJSA-N 2 1 350.507 0.824 10 0 FCAEMP CC(C)N1CC[C@@H]([N@@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001485772310 1263515610 /nfs/dbraw/zinc/51/56/10/1263515610.db2.gz JBDMCFRJUFQQNW-BRWVUGGUSA-N 2 1 368.522 0.401 10 0 FCAEMP CC(C)N1CC[C@@H]([NH+](C)CCOCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001485772310 1263515617 /nfs/dbraw/zinc/51/56/17/1263515617.db2.gz JBDMCFRJUFQQNW-BRWVUGGUSA-N 2 1 368.522 0.401 10 0 FCAEMP CC(C)N1CC[C@@H]([NH+](C)CCOCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001485772310 1263515626 /nfs/dbraw/zinc/51/56/26/1263515626.db2.gz JBDMCFRJUFQQNW-BRWVUGGUSA-N 2 1 368.522 0.401 10 0 FCAEMP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485825363 1263516291 /nfs/dbraw/zinc/51/62/91/1263516291.db2.gz AWGAUXNKKKIKKG-FGTMMUONSA-N 2 1 358.486 0.644 10 0 FCAEMP Cc1noc(CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001486280677 1263528242 /nfs/dbraw/zinc/52/82/42/1263528242.db2.gz YCDWVLRCGWKOMB-BPLDGKMQSA-N 2 1 353.467 0.060 10 0 FCAEMP Cc1nc(CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001486279124 1263529732 /nfs/dbraw/zinc/52/97/32/1263529732.db2.gz QUHMIRMSYLGKLI-UHOFOFEASA-N 2 1 354.520 0.743 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1C ZINC001486338041 1263533405 /nfs/dbraw/zinc/53/34/05/1263533405.db2.gz RAEIKJCZAHRILC-AYOQOUSVSA-N 2 1 363.502 0.770 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC001486338041 1263533412 /nfs/dbraw/zinc/53/34/12/1263533412.db2.gz RAEIKJCZAHRILC-AYOQOUSVSA-N 2 1 363.502 0.770 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC001486338041 1263533419 /nfs/dbraw/zinc/53/34/19/1263533419.db2.gz RAEIKJCZAHRILC-AYOQOUSVSA-N 2 1 363.502 0.770 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001492433031 1263657459 /nfs/dbraw/zinc/65/74/59/1263657459.db2.gz CVLGJIJCANMYGR-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001492433031 1263657466 /nfs/dbraw/zinc/65/74/66/1263657466.db2.gz CVLGJIJCANMYGR-HZPDHXFCSA-N 2 1 354.495 0.014 10 0 FCAEMP CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001493125704 1263701542 /nfs/dbraw/zinc/70/15/42/1263701542.db2.gz OFQXXXWYENOYEQ-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001493125704 1263701549 /nfs/dbraw/zinc/70/15/49/1263701549.db2.gz OFQXXXWYENOYEQ-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001493207941 1263714699 /nfs/dbraw/zinc/71/46/99/1263714699.db2.gz USGDCEXYQCGSRN-HYVNUMGLSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001493207941 1263714710 /nfs/dbraw/zinc/71/47/10/1263714710.db2.gz USGDCEXYQCGSRN-HYVNUMGLSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)CC[NH+]1C ZINC001493207941 1263714720 /nfs/dbraw/zinc/71/47/20/1263714720.db2.gz USGDCEXYQCGSRN-HYVNUMGLSA-N 2 1 350.507 0.633 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](CNC(=O)Cn2cc[nH+]c2C)C2CC2)CC[N@@H+]1C ZINC001493568837 1263727001 /nfs/dbraw/zinc/72/70/01/1263727001.db2.gz YNPAZIIRYVOVID-YESZJQIVSA-N 2 1 361.490 0.933 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](CNC(=O)Cn2cc[nH+]c2C)C2CC2)CC[N@H+]1C ZINC001493568837 1263727007 /nfs/dbraw/zinc/72/70/07/1263727007.db2.gz YNPAZIIRYVOVID-YESZJQIVSA-N 2 1 361.490 0.933 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)CC[N@H+]1C ZINC001493868986 1263743837 /nfs/dbraw/zinc/74/38/37/1263743837.db2.gz LCICLFRKOFIIIN-BHYGNILZSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001493868986 1263743840 /nfs/dbraw/zinc/74/38/40/1263743840.db2.gz LCICLFRKOFIIIN-BHYGNILZSA-N 2 1 350.507 0.918 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)CC[NH+]1C ZINC001493868986 1263743843 /nfs/dbraw/zinc/74/38/43/1263743843.db2.gz LCICLFRKOFIIIN-BHYGNILZSA-N 2 1 350.507 0.918 10 0 FCAEMP COCc1noc(C[N@@H+]2CC[C@H](CCNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001494021850 1263748937 /nfs/dbraw/zinc/74/89/37/1263748937.db2.gz SFUVACAHSQVZBI-QLFBSQMISA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[N@H+]2CC[C@H](CCNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001494021850 1263748945 /nfs/dbraw/zinc/74/89/45/1263748945.db2.gz SFUVACAHSQVZBI-QLFBSQMISA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[NH+]2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001494021850 1263748954 /nfs/dbraw/zinc/74/89/54/1263748954.db2.gz SFUVACAHSQVZBI-QLFBSQMISA-N 2 1 365.478 0.884 10 0 FCAEMP COCc1noc(C[NH+]2CC[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001494021850 1263748959 /nfs/dbraw/zinc/74/89/59/1263748959.db2.gz SFUVACAHSQVZBI-QLFBSQMISA-N 2 1 365.478 0.884 10 0 FCAEMP COCC[N@@H+](C[C@H](O)COC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001499536166 1264034221 /nfs/dbraw/zinc/03/42/21/1264034221.db2.gz UMOKUCJPFLGBFV-BPQIPLTHSA-N 2 1 371.522 0.273 10 0 FCAEMP COCC[NH+](C[C@H](O)COC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499536166 1264034231 /nfs/dbraw/zinc/03/42/31/1264034231.db2.gz UMOKUCJPFLGBFV-BPQIPLTHSA-N 2 1 371.522 0.273 10 0 FCAEMP COCC[NH+](C[C@H](O)COC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499536166 1264034238 /nfs/dbraw/zinc/03/42/38/1264034238.db2.gz UMOKUCJPFLGBFV-BPQIPLTHSA-N 2 1 371.522 0.273 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001500347803 1264066302 /nfs/dbraw/zinc/06/63/02/1264066302.db2.gz MXPZDCFTUPVRLM-ZMSDIMECSA-N 2 1 359.536 0.590 10 0 FCAEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CC[NH+]1CCOCC1 ZINC001500838567 1264089352 /nfs/dbraw/zinc/08/93/52/1264089352.db2.gz XWXLSSRXRHXLDY-BRWVUGGUSA-N 2 1 368.522 0.306 10 0 FCAEMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CC[NH+]1CCOCC1 ZINC001500838567 1264089359 /nfs/dbraw/zinc/08/93/59/1264089359.db2.gz XWXLSSRXRHXLDY-BRWVUGGUSA-N 2 1 368.522 0.306 10 0 FCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001321957456 1264110479 /nfs/dbraw/zinc/11/04/79/1264110479.db2.gz DIGASOYDEXDGSJ-MOPGFXCFSA-N 2 1 372.513 0.972 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCOCCO)C[C@H]32)CC[N@H+]1C ZINC001501417560 1264120708 /nfs/dbraw/zinc/12/07/08/1264120708.db2.gz FEDJJQCPYFXOEL-WNRNVDISSA-N 2 1 353.507 0.648 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC[NH+]1C ZINC001501417560 1264120712 /nfs/dbraw/zinc/12/07/12/1264120712.db2.gz FEDJJQCPYFXOEL-WNRNVDISSA-N 2 1 353.507 0.648 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC[NH+]1C ZINC001501417560 1264120715 /nfs/dbraw/zinc/12/07/15/1264120715.db2.gz FEDJJQCPYFXOEL-WNRNVDISSA-N 2 1 353.507 0.648 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](Cc3ccns3)CC2)CC[N@@H+]1C ZINC001505375083 1264270541 /nfs/dbraw/zinc/27/05/41/1264270541.db2.gz AULVXAXFWJGAGJ-UKRRQHHQSA-N 2 1 352.504 0.926 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CO)CC[NH+](Cc3ccns3)CC2)CC[N@H+]1C ZINC001505375083 1264270551 /nfs/dbraw/zinc/27/05/51/1264270551.db2.gz AULVXAXFWJGAGJ-UKRRQHHQSA-N 2 1 352.504 0.926 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCC[C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001506096325 1264291298 /nfs/dbraw/zinc/29/12/98/1264291298.db2.gz JXSKVCYTIKFMPN-BRWVUGGUSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCC[C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001506096325 1264291301 /nfs/dbraw/zinc/29/13/01/1264291301.db2.gz JXSKVCYTIKFMPN-BRWVUGGUSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC001506125257 1264295301 /nfs/dbraw/zinc/29/53/01/1264295301.db2.gz CWXGLCKQGDLIDX-OWCLPIDISA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC001506125257 1264295309 /nfs/dbraw/zinc/29/53/09/1264295309.db2.gz CWXGLCKQGDLIDX-OWCLPIDISA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC001506125257 1264295313 /nfs/dbraw/zinc/29/53/13/1264295313.db2.gz CWXGLCKQGDLIDX-OWCLPIDISA-N 2 1 350.507 0.966 10 0 FCAEMP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1)C(=O)NC(N)=O ZINC001506504255 1264324937 /nfs/dbraw/zinc/32/49/37/1264324937.db2.gz CEKQGFIWQLVDBQ-BFHYXJOUSA-N 2 1 367.494 0.319 10 0 FCAEMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001506985358 1264348110 /nfs/dbraw/zinc/34/81/10/1264348110.db2.gz DKZFILXVPSOHJV-MGPQQGTHSA-N 2 1 352.483 0.069 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(=O)NC)C(C)(C)C)CC[N@H+]1C ZINC001507948951 1264389918 /nfs/dbraw/zinc/38/99/18/1264389918.db2.gz PFZZTNQAMLPMPZ-MJBXVCDLSA-N 2 1 369.510 0.293 10 0 FCAEMP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCOCCO)[C@@H](c2ccccc2)C1 ZINC001323307601 1264397090 /nfs/dbraw/zinc/39/70/90/1264397090.db2.gz FIAIHNRZRLKETC-QRVBRYPASA-N 2 1 361.486 0.531 10 0 FCAEMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCOCCO)[C@@H](c2ccccc2)C1 ZINC001323307601 1264397104 /nfs/dbraw/zinc/39/71/04/1264397104.db2.gz FIAIHNRZRLKETC-QRVBRYPASA-N 2 1 361.486 0.531 10 0 FCAEMP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)[C@@H](c2ccccc2)C1 ZINC001323307601 1264397113 /nfs/dbraw/zinc/39/71/13/1264397113.db2.gz FIAIHNRZRLKETC-QRVBRYPASA-N 2 1 361.486 0.531 10 0 FCAEMP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCOCCO)[C@@H](c2ccccc2)C1 ZINC001323307601 1264397124 /nfs/dbraw/zinc/39/71/24/1264397124.db2.gz FIAIHNRZRLKETC-QRVBRYPASA-N 2 1 361.486 0.531 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001509673027 1264463332 /nfs/dbraw/zinc/46/33/32/1264463332.db2.gz NBVMILMYIKRWIM-HHARLNAUSA-N 2 1 350.507 0.487 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001509673027 1264463335 /nfs/dbraw/zinc/46/33/35/1264463335.db2.gz NBVMILMYIKRWIM-HHARLNAUSA-N 2 1 350.507 0.487 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001509673027 1264463342 /nfs/dbraw/zinc/46/33/42/1264463342.db2.gz NBVMILMYIKRWIM-HHARLNAUSA-N 2 1 350.507 0.487 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NCc3nnc(C)o3)CCOCC2)CC[N@H+]1C ZINC001325003642 1264754127 /nfs/dbraw/zinc/75/41/27/1264754127.db2.gz WBHCYWSJUNTHQK-LSDHHAIUSA-N 2 1 365.478 0.863 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325099473 1264775412 /nfs/dbraw/zinc/77/54/12/1264775412.db2.gz XLXITWJYXXXBRQ-SPYBWZPUSA-N 2 1 368.522 0.184 10 0 FCAEMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325099473 1264775419 /nfs/dbraw/zinc/77/54/19/1264775419.db2.gz XLXITWJYXXXBRQ-SPYBWZPUSA-N 2 1 368.522 0.184 10 0 FCAEMP CCC(C)(C)NC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325099473 1264775429 /nfs/dbraw/zinc/77/54/29/1264775429.db2.gz XLXITWJYXXXBRQ-SPYBWZPUSA-N 2 1 368.522 0.184 10 0 FCAEMP CCC(C)(C)NC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325099473 1264775435 /nfs/dbraw/zinc/77/54/35/1264775435.db2.gz XLXITWJYXXXBRQ-SPYBWZPUSA-N 2 1 368.522 0.184 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCOC[C@@H]4CCCO4)C[C@@H]3C2)CC[N@H+]1C ZINC001325740253 1264983077 /nfs/dbraw/zinc/98/30/77/1264983077.db2.gz FMWWPWCUFGJBAY-ZSXDVEMLSA-N 2 1 365.518 0.912 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCOC[C@@H]4CCCO4)C[C@@H]3C2)CC[NH+]1C ZINC001325740253 1264983081 /nfs/dbraw/zinc/98/30/81/1264983081.db2.gz FMWWPWCUFGJBAY-ZSXDVEMLSA-N 2 1 365.518 0.912 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCOC[C@@H]4CCCO4)C[C@@H]3C2)CC[NH+]1C ZINC001325740253 1264983088 /nfs/dbraw/zinc/98/30/88/1264983088.db2.gz FMWWPWCUFGJBAY-ZSXDVEMLSA-N 2 1 365.518 0.912 10 0 FCAEMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCNC[C@@H]2c2cccnc2)CC1 ZINC001325755707 1264985509 /nfs/dbraw/zinc/98/55/09/1264985509.db2.gz GGYKJQZZBBABGI-MRXNPFEDSA-N 2 1 359.474 0.497 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001514436872 1265353021 /nfs/dbraw/zinc/35/30/21/1265353021.db2.gz DGLALZHMOJDJIQ-MDZRGWNJSA-N 2 1 350.507 0.968 10 0 FCAEMP CCCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001327563525 1265359342 /nfs/dbraw/zinc/35/93/42/1265359342.db2.gz MBIWPASCIIWEQQ-FRQCXROJSA-N 2 1 368.522 0.186 10 0 FCAEMP CC(=O)N1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001333218422 1266557637 /nfs/dbraw/zinc/55/76/37/1266557637.db2.gz JGOPIJCEVJEZRV-HDICACEKSA-N 2 1 363.506 0.608 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C[N@H+]1C1CC1 ZINC001527518426 1266903699 /nfs/dbraw/zinc/90/36/99/1266903699.db2.gz VBTZAZGLQHHZBL-YQYZPQCESA-N 2 1 352.479 0.137 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C[NH+]1C1CC1 ZINC001527518426 1266903708 /nfs/dbraw/zinc/90/37/08/1266903708.db2.gz VBTZAZGLQHHZBL-YQYZPQCESA-N 2 1 352.479 0.137 10 0 FCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C[NH+]1C1CC1 ZINC001527518426 1266903715 /nfs/dbraw/zinc/90/37/15/1266903715.db2.gz VBTZAZGLQHHZBL-YQYZPQCESA-N 2 1 352.479 0.137 10 0 FCAEMP O=C(C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC001334827911 1267192118 /nfs/dbraw/zinc/19/21/18/1267192118.db2.gz MRUPZBLAZWFVLP-MRXNPFEDSA-N 2 1 362.478 0.273 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CC2)CC[N@H+]1C ZINC001535696400 1267307270 /nfs/dbraw/zinc/30/72/70/1267307270.db2.gz ULGURILXLZOFAB-FCEWJHQRSA-N 2 1 362.518 0.968 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC[NH+]1C ZINC001535696400 1267307280 /nfs/dbraw/zinc/30/72/80/1267307280.db2.gz ULGURILXLZOFAB-FCEWJHQRSA-N 2 1 362.518 0.968 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)CC[NH+]1C ZINC001535696400 1267307288 /nfs/dbraw/zinc/30/72/88/1267307288.db2.gz ULGURILXLZOFAB-FCEWJHQRSA-N 2 1 362.518 0.968 10 0 FCAEMP CC(C)N1CC[NH+](C2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC001335201852 1267401643 /nfs/dbraw/zinc/40/16/43/1267401643.db2.gz KAARYQNEICNHJE-UHFFFAOYSA-N 2 1 367.538 0.694 10 0 FCAEMP C[NH+](C)CCOc1cc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)ccn1 ZINC001547450046 1267671145 /nfs/dbraw/zinc/67/11/45/1267671145.db2.gz JNQKTNCOPAAYJI-HZPDHXFCSA-N 2 1 350.463 0.483 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001342612491 1269536748 /nfs/dbraw/zinc/53/67/48/1269536748.db2.gz DONROVDZXVFRDD-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC(=O)NCCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566938607 1269667699 /nfs/dbraw/zinc/66/76/99/1269667699.db2.gz UZHIAPXDSRKPJT-KBAYOESNSA-N 2 1 368.522 0.450 10 0 FCAEMP Cc1csc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001567016529 1269673846 /nfs/dbraw/zinc/67/38/46/1269673846.db2.gz HNQQGEXUBXGCPU-CYZMBNFOSA-N 2 1 353.492 0.825 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001567016416 1269674281 /nfs/dbraw/zinc/67/42/81/1269674281.db2.gz GSPUSTCECYZUAE-CWRNSKLLSA-N 2 1 359.536 0.636 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(=O)NC2CC2)CC[N@H+]1C ZINC001568386177 1269729760 /nfs/dbraw/zinc/72/97/60/1269729760.db2.gz WJWLVBMGEGNJJT-DJIMGWMZSA-N 2 1 350.507 0.966 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1OC ZINC001343014387 1269731722 /nfs/dbraw/zinc/73/17/22/1269731722.db2.gz MPAUFYDSURVRGP-MWDXBVQZSA-N 2 1 368.522 0.401 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1OC ZINC001343014387 1269731730 /nfs/dbraw/zinc/73/17/30/1269731730.db2.gz MPAUFYDSURVRGP-MWDXBVQZSA-N 2 1 368.522 0.401 10 0 FCAEMP CCC[NH+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1OC ZINC001343014387 1269731737 /nfs/dbraw/zinc/73/17/37/1269731737.db2.gz MPAUFYDSURVRGP-MWDXBVQZSA-N 2 1 368.522 0.401 10 0 FCAEMP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001568701341 1269745409 /nfs/dbraw/zinc/74/54/09/1269745409.db2.gz MTNNPKNYJRTRCJ-GGPKGHCWSA-N 2 1 361.486 0.564 10 0 FCAEMP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1ncccn1 ZINC001568851795 1269750876 /nfs/dbraw/zinc/75/08/76/1269750876.db2.gz LTARNOXOLSAOPT-QVWFHYRISA-N 2 1 360.462 0.406 10 0 FCAEMP C[C@H](CNCc1nc(-c2ccncn2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568993895 1269758746 /nfs/dbraw/zinc/75/87/46/1269758746.db2.gz XZZDJUNPTHFADZ-JHJVBQTASA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@H](C[NH2+]Cc1nc(-c2ccncn2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568993895 1269758757 /nfs/dbraw/zinc/75/87/57/1269758757.db2.gz XZZDJUNPTHFADZ-JHJVBQTASA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@H](C[NH2+]Cc1nc(-c2ccncn2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568993895 1269758766 /nfs/dbraw/zinc/75/87/66/1269758766.db2.gz XZZDJUNPTHFADZ-JHJVBQTASA-N 2 1 359.434 0.461 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC3CCOCC3)C2)CC[N@H+]1C ZINC001569893689 1269815592 /nfs/dbraw/zinc/81/55/92/1269815592.db2.gz IFSXBWKRVHKLAK-SUMDDJOVSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC3CCOCC3)C2)CC[NH+]1C ZINC001569893689 1269815601 /nfs/dbraw/zinc/81/56/01/1269815601.db2.gz IFSXBWKRVHKLAK-SUMDDJOVSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC3CCOCC3)C2)CC[NH+]1C ZINC001569893689 1269815613 /nfs/dbraw/zinc/81/56/13/1269815613.db2.gz IFSXBWKRVHKLAK-SUMDDJOVSA-N 2 1 353.507 0.696 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnc(C3CC3)s2)CC[N@@H+]1C ZINC001569933463 1269822105 /nfs/dbraw/zinc/82/21/05/1269822105.db2.gz BOBLPLZJWSGQHI-TZMCWYRMSA-N 2 1 367.519 0.666 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnc(C3CC3)s2)CC[N@H+]1C ZINC001569933463 1269822118 /nfs/dbraw/zinc/82/21/18/1269822118.db2.gz BOBLPLZJWSGQHI-TZMCWYRMSA-N 2 1 367.519 0.666 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]Cc3cn(C)nn3)CCOCC2)CC[N@H+]1C ZINC001570300923 1269868381 /nfs/dbraw/zinc/86/83/81/1269868381.db2.gz DDVYMNRFYIOQKZ-JKSUJKDBSA-N 2 1 364.494 0.300 10 0 FCAEMP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nnn(C)n1 ZINC001570774505 1269913497 /nfs/dbraw/zinc/91/34/97/1269913497.db2.gz HBEJCEPPJHNTFB-RBSFLKMASA-N 2 1 351.499 0.513 10 0 FCAEMP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nnn(C)n1 ZINC001570774505 1269913498 /nfs/dbraw/zinc/91/34/98/1269913498.db2.gz HBEJCEPPJHNTFB-RBSFLKMASA-N 2 1 351.499 0.513 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[NH+](C)C[C@H]2CCNC(=O)CC2)CC[N@H+]1C ZINC001571341179 1269929271 /nfs/dbraw/zinc/92/92/71/1269929271.db2.gz RTLFYWDSJRVSCD-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[N@H+](C)C[C@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001571341179 1269929277 /nfs/dbraw/zinc/92/92/77/1269929277.db2.gz RTLFYWDSJRVSCD-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCOCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)CC[NH+]1C ZINC001571341179 1269929287 /nfs/dbraw/zinc/92/92/87/1269929287.db2.gz RTLFYWDSJRVSCD-BRWVUGGUSA-N 2 1 368.522 0.308 10 0 FCAEMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCc1cccnc1 ZINC001571388795 1269930680 /nfs/dbraw/zinc/93/06/80/1269930680.db2.gz YKBJWKMUKVTXQL-BFYDXBDKSA-N 2 1 361.490 0.475 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc2ccccc2F)CC[N@@H+]1C ZINC001571430381 1269932950 /nfs/dbraw/zinc/93/29/50/1269932950.db2.gz WXBYTQKXTZXDCD-HZSPNIEDSA-N 2 1 366.437 0.171 10 0 FCAEMP 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CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001733949567 1288638247 /nfs/dbraw/zinc/63/82/47/1288638247.db2.gz YQGXEXJYWKDMIK-MHVXSEJMSA-N 2 1 350.507 0.727 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C)CC[N@H+]1C ZINC001734080959 1288642248 /nfs/dbraw/zinc/64/22/48/1288642248.db2.gz RHUNUVQVYQCRFN-SOUVJXGZSA-N 2 1 369.510 0.374 10 0 FCAEMP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001734160966 1288644529 /nfs/dbraw/zinc/64/45/29/1288644529.db2.gz PLLSLTQIXCCIPX-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001734160966 1288644531 /nfs/dbraw/zinc/64/45/31/1288644531.db2.gz PLLSLTQIXCCIPX-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP CCN(CC)C(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001734160966 1288644533 /nfs/dbraw/zinc/64/45/33/1288644533.db2.gz PLLSLTQIXCCIPX-HHARLNAUSA-N 2 1 350.507 0.489 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ncnn2CCF)CC[N@@H+]1C ZINC001734327844 1288648314 /nfs/dbraw/zinc/64/83/14/1288648314.db2.gz QQEQFDXPXXHUOK-SOUVJXGZSA-N 2 1 354.474 0.914 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ncnn2CCF)CC[N@H+]1C ZINC001734327844 1288648319 /nfs/dbraw/zinc/64/83/19/1288648319.db2.gz QQEQFDXPXXHUOK-SOUVJXGZSA-N 2 1 354.474 0.914 10 0 FCAEMP COCC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734606856 1288662622 /nfs/dbraw/zinc/66/26/22/1288662622.db2.gz YPXPXZWTDWJYMJ-IXDOHACOSA-N 2 1 368.522 0.450 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC[NH+]1C ZINC001735531553 1288757682 /nfs/dbraw/zinc/75/76/82/1288757682.db2.gz QGFJMJIGVWOBRQ-LZLYRXPVSA-N 2 1 362.518 0.943 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001735531553 1288757686 /nfs/dbraw/zinc/75/76/86/1288757686.db2.gz QGFJMJIGVWOBRQ-LZLYRXPVSA-N 2 1 362.518 0.943 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001735531553 1288757689 /nfs/dbraw/zinc/75/76/89/1288757689.db2.gz QGFJMJIGVWOBRQ-LZLYRXPVSA-N 2 1 362.518 0.943 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001735773370 1288893477 /nfs/dbraw/zinc/89/34/77/1288893477.db2.gz LMLHKCFHFWIARG-GVDBMIGSSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001735773370 1288893482 /nfs/dbraw/zinc/89/34/82/1288893482.db2.gz LMLHKCFHFWIARG-GVDBMIGSSA-N 2 1 368.522 0.138 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001735773370 1288893485 /nfs/dbraw/zinc/89/34/85/1288893485.db2.gz LMLHKCFHFWIARG-GVDBMIGSSA-N 2 1 368.522 0.138 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001735879667 1288981323 /nfs/dbraw/zinc/98/13/23/1288981323.db2.gz QBEDYQMABTZNCT-KLHDSHLOSA-N 2 1 354.495 0.010 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001735879667 1288981326 /nfs/dbraw/zinc/98/13/26/1288981326.db2.gz QBEDYQMABTZNCT-KLHDSHLOSA-N 2 1 354.495 0.010 10 0 FCAEMP CC[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001735879667 1288981329 /nfs/dbraw/zinc/98/13/29/1288981329.db2.gz QBEDYQMABTZNCT-KLHDSHLOSA-N 2 1 354.495 0.010 10 0 FCAEMP CO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001735882091 1288986335 /nfs/dbraw/zinc/98/63/35/1288986335.db2.gz VPNIKNIDYXPNNX-HZPDHXFCSA-N 2 1 368.522 0.543 10 0 FCAEMP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001736363365 1289282901 /nfs/dbraw/zinc/28/29/01/1289282901.db2.gz RNCGSWSACAOUMA-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001736363365 1289282907 /nfs/dbraw/zinc/28/29/07/1289282907.db2.gz RNCGSWSACAOUMA-BRWVUGGUSA-N 2 1 368.522 0.260 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001737331451 1289530860 /nfs/dbraw/zinc/53/08/60/1289530860.db2.gz PEUOPDSOBLBNPN-IXDOHACOSA-N 2 1 366.506 0.014 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001737331451 1289530865 /nfs/dbraw/zinc/53/08/65/1289530865.db2.gz PEUOPDSOBLBNPN-IXDOHACOSA-N 2 1 366.506 0.014 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](CC)CCO3)CC2)CC[N@@H+]1C ZINC001738763645 1289724909 /nfs/dbraw/zinc/72/49/09/1289724909.db2.gz JJTXPKDIJLHBQU-ARFHVFGLSA-N 2 1 366.506 0.202 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](CC)CCO3)CC2)CC[N@H+]1C ZINC001738763645 1289724920 /nfs/dbraw/zinc/72/49/20/1289724920.db2.gz JJTXPKDIJLHBQU-ARFHVFGLSA-N 2 1 366.506 0.202 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC[NH+]1C ZINC001738763645 1289724925 /nfs/dbraw/zinc/72/49/25/1289724925.db2.gz JJTXPKDIJLHBQU-ARFHVFGLSA-N 2 1 366.506 0.202 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC[NH+]1C ZINC001738763645 1289724936 /nfs/dbraw/zinc/72/49/36/1289724936.db2.gz JJTXPKDIJLHBQU-ARFHVFGLSA-N 2 1 366.506 0.202 10 0 FCAEMP C[C@@H](CN1CCOCC1)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001616014090 1289767827 /nfs/dbraw/zinc/76/78/27/1289767827.db2.gz UBMHWVHKJFMHRX-GOSISDBHSA-N 2 1 366.550 0.831 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC001739045236 1289777609 /nfs/dbraw/zinc/77/76/09/1289777609.db2.gz LNURDBOOUJESPE-OWCLPIDISA-N 2 1 368.522 0.137 10 0 FCAEMP CN(C[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC001616914645 1289801454 /nfs/dbraw/zinc/80/14/54/1289801454.db2.gz LNCLXBGNLKCBCG-HNNXBMFYSA-N 2 1 354.461 0.799 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001739387242 1289897712 /nfs/dbraw/zinc/89/77/12/1289897712.db2.gz QDDHKALEYXVCLD-BBWFWOEESA-N 2 1 366.506 0.108 10 0 FCAEMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001739387242 1289897722 /nfs/dbraw/zinc/89/77/22/1289897722.db2.gz QDDHKALEYXVCLD-BBWFWOEESA-N 2 1 366.506 0.108 10 0 FCAEMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)CC1 ZINC001620315730 1289980611 /nfs/dbraw/zinc/98/06/11/1289980611.db2.gz XZUDEMCMNHLZBC-LIRRHRJNSA-N 2 1 367.490 0.487 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001702311896 1290011515 /nfs/dbraw/zinc/01/15/15/1290011515.db2.gz CFDSYVNGAJSJHJ-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001702311896 1290011526 /nfs/dbraw/zinc/01/15/26/1290011526.db2.gz CFDSYVNGAJSJHJ-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001702311896 1290011535 /nfs/dbraw/zinc/01/15/35/1290011535.db2.gz CFDSYVNGAJSJHJ-IXDOHACOSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1OC ZINC001739578054 1290186533 /nfs/dbraw/zinc/18/65/33/1290186533.db2.gz FXLODFLQNNECSJ-IXDOHACOSA-N 2 1 368.522 0.543 10 0 FCAEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1OC ZINC001739578054 1290186537 /nfs/dbraw/zinc/18/65/37/1290186537.db2.gz FXLODFLQNNECSJ-IXDOHACOSA-N 2 1 368.522 0.543 10 0 FCAEMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1OC ZINC001739578054 1290186541 /nfs/dbraw/zinc/18/65/41/1290186541.db2.gz FXLODFLQNNECSJ-IXDOHACOSA-N 2 1 368.522 0.543 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](OCC)C1 ZINC001739940279 1290448293 /nfs/dbraw/zinc/44/82/93/1290448293.db2.gz LSYIXRMNGOEIFQ-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OCC)C1 ZINC001739940279 1290448297 /nfs/dbraw/zinc/44/82/97/1290448297.db2.gz LSYIXRMNGOEIFQ-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OCC)C1 ZINC001739940279 1290448302 /nfs/dbraw/zinc/44/83/02/1290448302.db2.gz LSYIXRMNGOEIFQ-IXDOHACOSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001739959116 1290453405 /nfs/dbraw/zinc/45/34/05/1290453405.db2.gz STMWTRQFVXPSNC-IKGGRYGDSA-N 2 1 350.507 0.777 10 0 FCAEMP CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001740302937 1290529817 /nfs/dbraw/zinc/52/98/17/1290529817.db2.gz PPZJYOJMAHMQOD-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001740302937 1290529822 /nfs/dbraw/zinc/52/98/22/1290529822.db2.gz PPZJYOJMAHMQOD-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC001648643344 1291134857 /nfs/dbraw/zinc/13/48/57/1291134857.db2.gz VVSJYMQJVKGKMO-KRWDZBQOSA-N 2 1 352.523 0.462 10 0 FCAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCC(=O)OC)C2=O)[C@H](C)C1 ZINC001653367521 1291339342 /nfs/dbraw/zinc/33/93/42/1291339342.db2.gz RVWZYPHKRPRKJK-IXDOHACOSA-N 2 1 369.506 0.877 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CCC(=O)OC)C2=O)[C@H](C)C1 ZINC001653367521 1291339352 /nfs/dbraw/zinc/33/93/52/1291339352.db2.gz RVWZYPHKRPRKJK-IXDOHACOSA-N 2 1 369.506 0.877 10 0 FCAEMP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001655965758 1291493092 /nfs/dbraw/zinc/49/30/92/1291493092.db2.gz YFTZANKOLOFPES-BRWVUGGUSA-N 2 1 365.522 0.569 10 0 FCAEMP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001655965758 1291493100 /nfs/dbraw/zinc/49/31/00/1291493100.db2.gz YFTZANKOLOFPES-BRWVUGGUSA-N 2 1 365.522 0.569 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001655965758 1291493105 /nfs/dbraw/zinc/49/31/05/1291493105.db2.gz YFTZANKOLOFPES-BRWVUGGUSA-N 2 1 365.522 0.569 10 0 FCAEMP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001655965758 1291493110 /nfs/dbraw/zinc/49/31/10/1291493110.db2.gz YFTZANKOLOFPES-BRWVUGGUSA-N 2 1 365.522 0.569 10 0 FCAEMP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1)C(=O)NC1CC1 ZINC001656356710 1291514967 /nfs/dbraw/zinc/51/49/67/1291514967.db2.gz YFENXLXJRWVHTB-HLLBOEOZSA-N 2 1 366.506 0.250 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001656477993 1291529929 /nfs/dbraw/zinc/52/99/29/1291529929.db2.gz KMBGAGRJHSIUOP-BRWVUGGUSA-N 2 1 368.522 0.306 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1nnc2n1CCOC2 ZINC001665793601 1291882250 /nfs/dbraw/zinc/88/22/50/1291882250.db2.gz PXRMIFXICMJCAM-SOUVJXGZSA-N 2 1 364.494 0.523 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]Cc1nnc2n1CCOC2 ZINC001665793601 1291882265 /nfs/dbraw/zinc/88/22/65/1291882265.db2.gz PXRMIFXICMJCAM-SOUVJXGZSA-N 2 1 364.494 0.523 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)CC)C[C@@H]3C2)CC[N@H+]1C ZINC001672416667 1292080619 /nfs/dbraw/zinc/08/06/19/1292080619.db2.gz NUEYAHLSFRBHLU-VVLHAWIVSA-N 2 1 350.507 0.585 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)CC)C[C@@H]3C2)CC[NH+]1C ZINC001672416667 1292080627 /nfs/dbraw/zinc/08/06/27/1292080627.db2.gz NUEYAHLSFRBHLU-VVLHAWIVSA-N 2 1 350.507 0.585 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)CC)C[C@@H]3C2)CC[NH+]1C ZINC001672416667 1292080634 /nfs/dbraw/zinc/08/06/34/1292080634.db2.gz NUEYAHLSFRBHLU-VVLHAWIVSA-N 2 1 350.507 0.585 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001673434051 1292108060 /nfs/dbraw/zinc/10/80/60/1292108060.db2.gz CLTZUWNBVSHCSG-DLBZAZTESA-N 2 1 368.522 0.356 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001673434051 1292108065 /nfs/dbraw/zinc/10/80/65/1292108065.db2.gz CLTZUWNBVSHCSG-DLBZAZTESA-N 2 1 368.522 0.356 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)N2CCOCC2)CC[NH+]1C ZINC001673434051 1292108068 /nfs/dbraw/zinc/10/80/68/1292108068.db2.gz CLTZUWNBVSHCSG-DLBZAZTESA-N 2 1 368.522 0.356 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001673434471 1292108486 /nfs/dbraw/zinc/10/84/86/1292108486.db2.gz OAYZRVRFMVTKNX-JKSUJKDBSA-N 2 1 366.506 0.646 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001673434471 1292108491 /nfs/dbraw/zinc/10/84/91/1292108491.db2.gz OAYZRVRFMVTKNX-JKSUJKDBSA-N 2 1 366.506 0.646 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001673434471 1292108494 /nfs/dbraw/zinc/10/84/94/1292108494.db2.gz OAYZRVRFMVTKNX-JKSUJKDBSA-N 2 1 366.506 0.646 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001677705920 1292242424 /nfs/dbraw/zinc/24/24/24/1292242424.db2.gz SFNCVKDWJHGQQZ-BRWVUGGUSA-N 2 1 368.522 0.354 10 0 FCAEMP 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CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001347609929 872417954 /nfs/dbraw/zinc/41/79/54/872417954.db2.gz WRQAFLWNQPRSNG-HZMVEIRTSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001347609929 872417970 /nfs/dbraw/zinc/41/79/70/872417970.db2.gz WRQAFLWNQPRSNG-HZMVEIRTSA-N 2 1 350.507 0.917 10 0 FCAEMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001347609929 872417986 /nfs/dbraw/zinc/41/79/86/872417986.db2.gz WRQAFLWNQPRSNG-HZMVEIRTSA-N 2 1 350.507 0.917 10 0 FCAEMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001347808657 872499898 /nfs/dbraw/zinc/49/98/98/872499898.db2.gz GTFIXWGUODGERK-OAGGEKHMSA-N 2 1 350.507 0.918 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC001348434585 872697911 /nfs/dbraw/zinc/69/79/11/872697911.db2.gz PRNKAQDQFZKLAS-FJIDUMEYSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC001348434585 872697916 /nfs/dbraw/zinc/69/79/16/872697916.db2.gz PRNKAQDQFZKLAS-FJIDUMEYSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC001348434585 872697922 /nfs/dbraw/zinc/69/79/22/872697922.db2.gz PRNKAQDQFZKLAS-FJIDUMEYSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC001348434587 872698226 /nfs/dbraw/zinc/69/82/26/872698226.db2.gz PRNKAQDQFZKLAS-MLHJIOFPSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC001348434587 872698232 /nfs/dbraw/zinc/69/82/32/872698232.db2.gz PRNKAQDQFZKLAS-MLHJIOFPSA-N 2 1 351.539 0.898 10 0 FCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC001348434587 872698241 /nfs/dbraw/zinc/69/82/41/872698241.db2.gz PRNKAQDQFZKLAS-MLHJIOFPSA-N 2 1 351.539 0.898 10 0 FCAEMP FC(F)(F)Cn1nnc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC001332456362 873515565 /nfs/dbraw/zinc/51/55/65/873515565.db2.gz OUYGDSRQILNHTA-BETUJISGSA-N 2 1 359.400 0.636 10 0 FCAEMP COc1cc(CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001332631302 873589415 /nfs/dbraw/zinc/58/94/15/873589415.db2.gz GLCWHHZBNGPVBA-UMVBOHGHSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)sn1 ZINC001332631302 873589419 /nfs/dbraw/zinc/58/94/19/873589419.db2.gz GLCWHHZBNGPVBA-UMVBOHGHSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)sn1 ZINC001332631302 873589429 /nfs/dbraw/zinc/58/94/29/873589429.db2.gz GLCWHHZBNGPVBA-UMVBOHGHSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001332631302 873589436 /nfs/dbraw/zinc/58/94/36/873589436.db2.gz GLCWHHZBNGPVBA-UMVBOHGHSA-N 2 1 370.519 0.743 10 0 FCAEMP COc1cc(C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001332631302 873589443 /nfs/dbraw/zinc/58/94/43/873589443.db2.gz GLCWHHZBNGPVBA-UMVBOHGHSA-N 2 1 370.519 0.743 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCn2cc[nH+]c2C)CC1 ZINC001333532222 873994474 /nfs/dbraw/zinc/99/44/74/873994474.db2.gz NUNNHWAHRHNNQV-UHFFFAOYSA-N 2 1 350.467 0.481 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000292017698 214071095 /nfs/dbraw/zinc/07/10/95/214071095.db2.gz VBMZESHZGRKOIG-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)nc1 ZINC000292017698 214071097 /nfs/dbraw/zinc/07/10/97/214071097.db2.gz VBMZESHZGRKOIG-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)nc1 ZINC000292017698 214071100 /nfs/dbraw/zinc/07/11/00/214071100.db2.gz VBMZESHZGRKOIG-HOTGVXAUSA-N 2 1 359.474 0.730 10 0 FCAEMP C[N@H+](CCCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000930807699 674062870 /nfs/dbraw/zinc/06/28/70/674062870.db2.gz XZWSQJHGMHRPDN-HOTGVXAUSA-N 2 1 368.547 0.673 10 0 FCAEMP C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000930807699 674062872 /nfs/dbraw/zinc/06/28/72/674062872.db2.gz XZWSQJHGMHRPDN-HOTGVXAUSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CC1 ZINC000930807699 674062873 /nfs/dbraw/zinc/06/28/73/674062873.db2.gz XZWSQJHGMHRPDN-HOTGVXAUSA-N 2 1 368.547 0.673 10 0 FCAEMP C[NH+](CCCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1CC1 ZINC000930807699 674062874 /nfs/dbraw/zinc/06/28/74/674062874.db2.gz XZWSQJHGMHRPDN-HOTGVXAUSA-N 2 1 368.547 0.673 10 0 FCAEMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333844306 215324640 /nfs/dbraw/zinc/32/46/40/215324640.db2.gz LYKQDPNBVMDUSB-ZJPYXAASSA-N 2 1 363.502 0.857 10 0 FCAEMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000333906926 215329565 /nfs/dbraw/zinc/32/95/65/215329565.db2.gz VKVKUIGWUWDLNV-UHFFFAOYSA-N 2 1 352.479 0.357 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1)[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000931020457 674087785 /nfs/dbraw/zinc/08/77/85/674087785.db2.gz SXQPTMBQDMRNHK-SMYFESCOSA-N 2 1 351.491 0.428 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2COC[C@]2(C)C1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000931020457 674087786 /nfs/dbraw/zinc/08/77/86/674087786.db2.gz SXQPTMBQDMRNHK-SMYFESCOSA-N 2 1 351.491 0.428 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1C[C@@H]2COC[C@]2(C)C1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000931020457 674087788 /nfs/dbraw/zinc/08/77/88/674087788.db2.gz SXQPTMBQDMRNHK-SMYFESCOSA-N 2 1 351.491 0.428 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]2CCC[C@H]21 ZINC000367620035 216142374 /nfs/dbraw/zinc/14/23/74/216142374.db2.gz PWRJEHABZYRQTC-FGTMMUONSA-N 2 1 372.517 0.978 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000367620037 216143486 /nfs/dbraw/zinc/14/34/86/216143486.db2.gz PWRJEHABZYRQTC-SQNIBIBYSA-N 2 1 372.517 0.978 10 0 FCAEMP O=C(N1CC[NH+]2CCC[C@H]2C1)C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000246612192 209393917 /nfs/dbraw/zinc/39/39/17/209393917.db2.gz UWPXQTIKMYTVNZ-IRXDYDNUSA-N 2 1 360.502 0.770 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246236832 209383416 /nfs/dbraw/zinc/38/34/16/209383416.db2.gz UBDFCDONXZPLLQ-ZWKOTPCHSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246236832 209383420 /nfs/dbraw/zinc/38/34/20/209383420.db2.gz UBDFCDONXZPLLQ-ZWKOTPCHSA-N 2 1 352.523 0.630 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246236832 209383422 /nfs/dbraw/zinc/38/34/22/209383422.db2.gz UBDFCDONXZPLLQ-ZWKOTPCHSA-N 2 1 352.523 0.630 10 0 FCAEMP C[N@@H+]1C[C@H]2CN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]2C1 ZINC000193602376 209315317 /nfs/dbraw/zinc/31/53/17/209315317.db2.gz DUCIISFAOAHQCK-HDICACEKSA-N 2 1 364.534 0.631 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000369394544 216394037 /nfs/dbraw/zinc/39/40/37/216394037.db2.gz IDXPRMRZFNVWCP-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369394544 216394039 /nfs/dbraw/zinc/39/40/39/216394039.db2.gz IDXPRMRZFNVWCP-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369394544 216394040 /nfs/dbraw/zinc/39/40/40/216394040.db2.gz IDXPRMRZFNVWCP-ZWKOTPCHSA-N 2 1 367.538 0.519 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000931396986 674111806 /nfs/dbraw/zinc/11/18/06/674111806.db2.gz LLNXQZGAGREWRN-WBVHZDCISA-N 2 1 374.551 0.333 10 0 FCAEMP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000931479921 674116951 /nfs/dbraw/zinc/11/69/51/674116951.db2.gz HBUJENILADDGGH-CQSZACIVSA-N 2 1 355.479 0.318 10 0 FCAEMP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000414950254 245339750 /nfs/dbraw/zinc/33/97/50/245339750.db2.gz OFEMACJRPXOBJQ-INIZCTEOSA-N 2 1 374.485 0.915 10 0 FCAEMP C[C@H]1C[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000373372819 217013397 /nfs/dbraw/zinc/01/33/97/217013397.db2.gz KJOIAGRQMCEWJT-IRXDYDNUSA-N 2 1 350.507 0.873 10 0 FCAEMP C[C@@H](O)C1CC[NH+](CC(=O)NC[C@@H](C)[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000931530825 674118890 /nfs/dbraw/zinc/11/88/90/674118890.db2.gz QLDJNBSOGBKEFW-BZUAXINKSA-N 2 1 355.523 0.677 10 0 FCAEMP COC[C@@H]1CN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675490 217043674 /nfs/dbraw/zinc/04/36/74/217043674.db2.gz JJSVBHOZYYQBKQ-ZACQAIPSSA-N 2 1 357.495 0.195 10 0 FCAEMP COC[C@@H]1CN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C[C@@H](C)O1 ZINC000373675490 217043676 /nfs/dbraw/zinc/04/36/76/217043676.db2.gz JJSVBHOZYYQBKQ-ZACQAIPSSA-N 2 1 357.495 0.195 10 0 FCAEMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)CC1 ZINC000374571217 217145566 /nfs/dbraw/zinc/14/55/66/217145566.db2.gz GYFNOLUPCMGDCB-JKSUJKDBSA-N 2 1 350.467 0.008 10 0 FCAEMP Cc1nccc(N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000183769055 209151218 /nfs/dbraw/zinc/15/12/18/209151218.db2.gz RQTHDEFFRBBCFV-HNNXBMFYSA-N 2 1 353.492 0.579 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419136101 246011072 /nfs/dbraw/zinc/01/10/72/246011072.db2.gz OINHVPGTXVIKIZ-KBAYOESNSA-N 2 1 358.486 0.881 10 0 FCAEMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000419139060 246011411 /nfs/dbraw/zinc/01/14/11/246011411.db2.gz RWFRUZQXEMRYSL-BBWFWOEESA-N 2 1 359.474 0.544 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419168920 246030644 /nfs/dbraw/zinc/03/06/44/246030644.db2.gz LNCJPVUSFRENTI-OALUTQOASA-N 2 1 372.513 0.926 10 0 FCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419178365 246037415 /nfs/dbraw/zinc/03/74/15/246037415.db2.gz TYWDRSVISADIGB-UHFFFAOYSA-N 2 1 373.501 0.968 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000419228485 246067721 /nfs/dbraw/zinc/06/77/21/246067721.db2.gz GSQFDHQXDNOOFJ-ZFWWWQNUSA-N 2 1 364.515 0.869 10 0 FCAEMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000419228485 246067727 /nfs/dbraw/zinc/06/77/27/246067727.db2.gz GSQFDHQXDNOOFJ-ZFWWWQNUSA-N 2 1 364.515 0.869 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419242311 246073188 /nfs/dbraw/zinc/07/31/88/246073188.db2.gz SFNYWKIFUWLWTG-NFAWXSAZSA-N 2 1 364.515 0.725 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419242311 246073191 /nfs/dbraw/zinc/07/31/91/246073191.db2.gz SFNYWKIFUWLWTG-NFAWXSAZSA-N 2 1 364.515 0.725 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419341088 246103384 /nfs/dbraw/zinc/10/33/84/246103384.db2.gz XRHLYZALNVKORS-RHSMWYFYSA-N 2 1 359.474 0.276 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419419293 246152247 /nfs/dbraw/zinc/15/22/47/246152247.db2.gz JAHGGUCNPLNAEX-WBVHZDCISA-N 2 1 359.474 0.545 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419419291 246152284 /nfs/dbraw/zinc/15/22/84/246152284.db2.gz JAHGGUCNPLNAEX-NVXWUHKLSA-N 2 1 359.474 0.545 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419473305 246176802 /nfs/dbraw/zinc/17/68/02/246176802.db2.gz AEFWOWVQAVAUGW-YVSFHVDLSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419483052 246178618 /nfs/dbraw/zinc/17/86/18/246178618.db2.gz RFXUTYNMPOLGNU-YVSFHVDLSA-N 2 1 352.523 0.975 10 0 FCAEMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000419494416 246180350 /nfs/dbraw/zinc/18/03/50/246180350.db2.gz PJYNZMODTCBLPC-YESZJQIVSA-N 2 1 356.511 0.584 10 0 FCAEMP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000419494416 246180355 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CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423528596 247042211 /nfs/dbraw/zinc/04/22/11/247042211.db2.gz ORGLYAWGDPLVCA-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1CCOC ZINC000423528596 247042214 /nfs/dbraw/zinc/04/22/14/247042214.db2.gz ORGLYAWGDPLVCA-ZACQAIPSSA-N 2 1 366.506 0.156 10 0 FCAEMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000423638801 247088683 /nfs/dbraw/zinc/08/86/83/247088683.db2.gz IVLOCSDKHMMLJC-INIZCTEOSA-N 2 1 359.474 0.497 10 0 FCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000423709032 247117412 /nfs/dbraw/zinc/11/74/12/247117412.db2.gz QCFRBTZJUZENNZ-NVXWUHKLSA-N 2 1 374.485 0.721 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424538850 247255978 /nfs/dbraw/zinc/25/59/78/247255978.db2.gz DRRNXZJZLCXOCS-XGXHKWSGSA-N 2 1 370.497 0.834 10 0 FCAEMP 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250250408 /nfs/dbraw/zinc/25/04/08/250250408.db2.gz OGXOSVXUGCJKOZ-MRXNPFEDSA-N 2 1 353.511 0.524 10 0 FCAEMP C[C@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000473881549 250254133 /nfs/dbraw/zinc/25/41/33/250254133.db2.gz XSSUCGSJMNHGDL-IAGOWNOFSA-N 2 1 367.538 0.912 10 0 FCAEMP C[C@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000473881549 250254137 /nfs/dbraw/zinc/25/41/37/250254137.db2.gz XSSUCGSJMNHGDL-IAGOWNOFSA-N 2 1 367.538 0.912 10 0 FCAEMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)[nH+]1 ZINC000073768928 208050050 /nfs/dbraw/zinc/05/00/50/208050050.db2.gz CEOCIXPGVOCXOU-MRXNPFEDSA-N 2 1 373.501 0.885 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000074616847 208056687 /nfs/dbraw/zinc/05/66/87/208056687.db2.gz LROPUSQESUSXRW-GOSISDBHSA-N 2 1 369.554 0.766 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000074616847 208056693 /nfs/dbraw/zinc/05/66/93/208056693.db2.gz LROPUSQESUSXRW-GOSISDBHSA-N 2 1 369.554 0.766 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000074616847 208056697 /nfs/dbraw/zinc/05/66/97/208056697.db2.gz LROPUSQESUSXRW-GOSISDBHSA-N 2 1 369.554 0.766 10 0 FCAEMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000108537754 208249348 /nfs/dbraw/zinc/24/93/48/208249348.db2.gz SZAYIOQLASLJJW-SFHVURJKSA-N 2 1 367.538 0.520 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000108537754 208249356 /nfs/dbraw/zinc/24/93/56/208249356.db2.gz SZAYIOQLASLJJW-SFHVURJKSA-N 2 1 367.538 0.520 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117032727 208339101 /nfs/dbraw/zinc/33/91/01/208339101.db2.gz DYTOZZFSLOWCGC-QGZVFWFLSA-N 2 1 355.527 0.376 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)C1 ZINC000117470123 208345984 /nfs/dbraw/zinc/34/59/84/208345984.db2.gz FTSVECNIXMMZRH-GOSISDBHSA-N 2 1 367.538 0.517 10 0 FCAEMP CNC(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179104185 209071986 /nfs/dbraw/zinc/07/19/86/209071986.db2.gz ROIKVPGZWLIZPX-IEBWSBKVSA-N 2 1 373.501 0.941 10 0 FCAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179104185 209071990 /nfs/dbraw/zinc/07/19/90/209071990.db2.gz ROIKVPGZWLIZPX-IEBWSBKVSA-N 2 1 373.501 0.941 10 0 FCAEMP C[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)N(C)C ZINC000179116450 209072077 /nfs/dbraw/zinc/07/20/77/209072077.db2.gz ILSVIGWHBMTIMO-LSVZVQIISA-N 2 1 351.495 0.416 10 0 FCAEMP COC(=O)[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000413410243 533477121 /nfs/dbraw/zinc/47/71/21/533477121.db2.gz TVVVRAFMDHRAAH-PCKAHOCUSA-N 2 1 354.495 0.853 10 0 FCAEMP CN1C[C@H]([NH2+]C2CCC2)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000096113392 222031717 /nfs/dbraw/zinc/03/17/17/222031717.db2.gz PPKAELXIFNYFRM-NVXWUHKLSA-N 2 1 350.507 0.920 10 0 biogenic FCAEMP CN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410499956 230105868 /nfs/dbraw/zinc/10/58/68/230105868.db2.gz VLHLLIGROUKRES-QGZVFWFLSA-N 2 1 364.490 0.005 10 0 FCAEMP CN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410499956 230105872 /nfs/dbraw/zinc/10/58/72/230105872.db2.gz VLHLLIGROUKRES-QGZVFWFLSA-N 2 1 364.490 0.005 10 0 FCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000302899359 488893211 /nfs/dbraw/zinc/89/32/11/488893211.db2.gz QDJANSWAKHCRDP-KRWDZBQOSA-N 2 1 360.506 0.920 10 0 FCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000562838375 491195190 /nfs/dbraw/zinc/19/51/90/491195190.db2.gz XFBUMDSKVZPRLU-INIZCTEOSA-N 2 1 354.495 0.063 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185732338 488402449 /nfs/dbraw/zinc/40/24/49/488402449.db2.gz MCVADQQYZHHXRD-SJORKVTESA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185732338 488402451 /nfs/dbraw/zinc/40/24/51/488402451.db2.gz MCVADQQYZHHXRD-SJORKVTESA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185732338 488402452 /nfs/dbraw/zinc/40/24/52/488402452.db2.gz MCVADQQYZHHXRD-SJORKVTESA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185732382 488402671 /nfs/dbraw/zinc/40/26/71/488402671.db2.gz MCVADQQYZHHXRD-IAGOWNOFSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185732382 488402673 /nfs/dbraw/zinc/40/26/73/488402673.db2.gz MCVADQQYZHHXRD-IAGOWNOFSA-N 2 1 355.527 0.422 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185732382 488402675 /nfs/dbraw/zinc/40/26/75/488402675.db2.gz MCVADQQYZHHXRD-IAGOWNOFSA-N 2 1 355.527 0.422 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245407759 488463428 /nfs/dbraw/zinc/46/34/28/488463428.db2.gz CTTFUTKBPAMJJN-JKSUJKDBSA-N 2 1 354.495 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0.422 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000111813901 488531654 /nfs/dbraw/zinc/53/16/54/488531654.db2.gz RIFMRDOYJMLTTQ-QGZVFWFLSA-N 2 1 355.527 0.422 10 0 FCAEMP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261843039 488538197 /nfs/dbraw/zinc/53/81/97/488538197.db2.gz ALVDHGXGHXDKSO-BRWVUGGUSA-N 2 1 357.520 0.690 10 0 FCAEMP C[NH+]1CCN(c2ncc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cn2)CC1 ZINC000261848004 488538633 /nfs/dbraw/zinc/53/86/33/488538633.db2.gz PXFRKRVRNCOFGY-GOSISDBHSA-N 2 1 353.474 0.770 10 0 FCAEMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858765 488538981 /nfs/dbraw/zinc/53/89/81/488538981.db2.gz WGGZPGRHLCSAOQ-SPUZQDLCSA-N 2 1 358.486 0.773 10 0 FCAEMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261858765 488538983 /nfs/dbraw/zinc/53/89/83/488538983.db2.gz WGGZPGRHLCSAOQ-SPUZQDLCSA-N 2 1 358.486 0.773 10 0 FCAEMP 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ZINC000123220256 488584001 /nfs/dbraw/zinc/58/40/01/488584001.db2.gz GNKSNSNWBAETQS-SJPCQFCGSA-N 2 1 365.522 0.855 10 0 FCAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000263278723 488609005 /nfs/dbraw/zinc/60/90/05/488609005.db2.gz TWVUZBMTVKGHSM-ZBFHGGJFSA-N 2 1 358.442 0.918 10 0 FCAEMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)CC1 ZINC000128480631 488624898 /nfs/dbraw/zinc/62/48/98/488624898.db2.gz MTWCQHHWIQXBHD-MRXNPFEDSA-N 2 1 356.478 0.732 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)CC1 ZINC000128480631 488624903 /nfs/dbraw/zinc/62/49/03/488624903.db2.gz MTWCQHHWIQXBHD-MRXNPFEDSA-N 2 1 356.478 0.732 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266870787 488739427 /nfs/dbraw/zinc/73/94/27/488739427.db2.gz XNWPOZFDEKKKLV-FQEVSTJZSA-N 2 1 374.529 0.983 10 0 FCAEMP C[NH+](C)CCN1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266870787 488739430 /nfs/dbraw/zinc/73/94/30/488739430.db2.gz XNWPOZFDEKKKLV-FQEVSTJZSA-N 2 1 374.529 0.983 10 0 FCAEMP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000154300097 488741284 /nfs/dbraw/zinc/74/12/84/488741284.db2.gz OPRWVOZPDTZLKF-UXHICEINSA-N 2 1 374.529 0.623 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000164455394 488810361 /nfs/dbraw/zinc/81/03/61/488810361.db2.gz HBZSEXMIODKPSM-GASCZTMLSA-N 2 1 362.474 0.912 10 0 FCAEMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000164455394 488810363 /nfs/dbraw/zinc/81/03/63/488810363.db2.gz HBZSEXMIODKPSM-GASCZTMLSA-N 2 1 362.474 0.912 10 0 FCAEMP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)CC1 ZINC000171651424 488825128 /nfs/dbraw/zinc/82/51/28/488825128.db2.gz JVKQRZNRXOCMPQ-QGZVFWFLSA-N 2 1 359.474 0.815 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171933319 488828683 /nfs/dbraw/zinc/82/86/83/488828683.db2.gz IORAXRKPIURUBO-RBUKOAKNSA-N 2 1 365.566 0.641 10 0 FCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171933319 488828684 /nfs/dbraw/zinc/82/86/84/488828684.db2.gz IORAXRKPIURUBO-RBUKOAKNSA-N 2 1 365.566 0.641 10 0 FCAEMP CN(C)C(=O)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179121952 488860756 /nfs/dbraw/zinc/86/07/56/488860756.db2.gz BVJKNTAIRDTENI-SJPCQFCGSA-N 2 1 365.522 0.807 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181809958 488863781 /nfs/dbraw/zinc/86/37/81/488863781.db2.gz WDKUGWLBLMPEQT-BRWVUGGUSA-N 2 1 356.511 0.441 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000181809958 488863782 /nfs/dbraw/zinc/86/37/82/488863782.db2.gz WDKUGWLBLMPEQT-BRWVUGGUSA-N 2 1 356.511 0.441 10 0 FCAEMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000365258211 489054583 /nfs/dbraw/zinc/05/45/83/489054583.db2.gz CVQLBLGLQDNAQV-INIZCTEOSA-N 2 1 367.538 0.912 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@@H]1C ZINC000563302264 491235915 /nfs/dbraw/zinc/23/59/15/491235915.db2.gz GEHGNVOQPHOQIN-GJZGRUSLSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@@H]1C ZINC000563302264 491235916 /nfs/dbraw/zinc/23/59/16/491235916.db2.gz GEHGNVOQPHOQIN-GJZGRUSLSA-N 2 1 354.495 0.155 10 0 FCAEMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000563456259 491248764 /nfs/dbraw/zinc/24/87/64/491248764.db2.gz FHJFGBGJIZSYCI-PBHICJAKSA-N 2 1 365.522 0.759 10 0 FCAEMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000286995532 489450719 /nfs/dbraw/zinc/45/07/19/489450719.db2.gz PXKWLUJBIMCWEQ-UKRRQHHQSA-N 2 1 364.494 0.291 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000286995532 489450723 /nfs/dbraw/zinc/45/07/23/489450723.db2.gz PXKWLUJBIMCWEQ-UKRRQHHQSA-N 2 1 364.494 0.291 10 0 FCAEMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962892 489636500 /nfs/dbraw/zinc/63/65/00/489636500.db2.gz YTLDDVWWJNJEIC-JKSUJKDBSA-N 2 1 361.494 0.286 10 0 FCAEMP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)C[C@@H](C)O1 ZINC000457573098 489650026 /nfs/dbraw/zinc/65/00/26/489650026.db2.gz JAWHYJKKNBDXQM-BRWVUGGUSA-N 2 1 356.511 0.632 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417417236 489651537 /nfs/dbraw/zinc/65/15/37/489651537.db2.gz AGTHMOAJQRVMEX-XHSDSOJGSA-N 2 1 351.495 0.465 10 0 FCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417534305 489657429 /nfs/dbraw/zinc/65/74/29/489657429.db2.gz OABBINKQGJWWTO-OWCLPIDISA-N 2 1 353.511 0.746 10 0 FCAEMP C[C@@H](c1ccccc1)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(N)=O ZINC000428861243 489666818 /nfs/dbraw/zinc/66/68/18/489666818.db2.gz JKDUAHMDZXTIDJ-IFXJQAMLSA-N 2 1 358.486 0.977 10 0 FCAEMP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000458360688 489678653 /nfs/dbraw/zinc/67/86/53/489678653.db2.gz 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ZINC000418883935 489774236 /nfs/dbraw/zinc/77/42/36/489774236.db2.gz VXYRKSZLEAVHHP-IAGOWNOFSA-N 2 1 374.485 0.943 10 0 FCAEMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000418883935 489774238 /nfs/dbraw/zinc/77/42/38/489774238.db2.gz VXYRKSZLEAVHHP-IAGOWNOFSA-N 2 1 374.485 0.943 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000418911058 489786185 /nfs/dbraw/zinc/78/61/85/489786185.db2.gz PQQMVBZEBBMAII-YESZJQIVSA-N 2 1 360.458 0.124 10 0 FCAEMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418910032 489786535 /nfs/dbraw/zinc/78/65/35/489786535.db2.gz JQOVNCXMDGSBDG-KRWDZBQOSA-N 2 1 362.474 0.235 10 0 FCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@](C)(O)CC[NH+](C)C)CC1 ZINC000431392070 489803231 /nfs/dbraw/zinc/80/32/31/489803231.db2.gz LYWRFWIMKGBYJP-GOSISDBHSA-N 2 1 351.495 0.451 10 0 FCAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H](C)O1 ZINC000419088026 489851870 /nfs/dbraw/zinc/85/18/70/489851870.db2.gz QLRRHUYDTJLMOF-GBJTYRQASA-N 2 1 354.495 0.105 10 0 FCAEMP CC1=CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000460235507 489856558 /nfs/dbraw/zinc/85/65/58/489856558.db2.gz XQPQAOZDWQTPJB-KRWDZBQOSA-N 2 1 363.506 0.586 10 0 FCAEMP CC1=CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC000460235507 489856561 /nfs/dbraw/zinc/85/65/61/489856561.db2.gz XQPQAOZDWQTPJB-KRWDZBQOSA-N 2 1 363.506 0.586 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC000460235507 489856566 /nfs/dbraw/zinc/85/65/66/489856566.db2.gz XQPQAOZDWQTPJB-KRWDZBQOSA-N 2 1 363.506 0.586 10 0 FCAEMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419109164 489858109 /nfs/dbraw/zinc/85/81/09/489858109.db2.gz AMWIJRDZFQPLKM-SJORKVTESA-N 2 1 368.522 0.498 10 0 FCAEMP C[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCC2)(N2CCCCC2)CC1 ZINC000420090624 489908126 /nfs/dbraw/zinc/90/81/26/489908126.db2.gz LSCPNZXIDBCEKW-UHFFFAOYSA-N 2 1 365.522 0.051 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434175648 489915177 /nfs/dbraw/zinc/91/51/77/489915177.db2.gz ZFOBRNVOCOYRTB-MRXNPFEDSA-N 2 1 356.511 0.849 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000434175648 489915181 /nfs/dbraw/zinc/91/51/81/489915181.db2.gz ZFOBRNVOCOYRTB-MRXNPFEDSA-N 2 1 356.511 0.849 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434175648 489915184 /nfs/dbraw/zinc/91/51/84/489915184.db2.gz ZFOBRNVOCOYRTB-MRXNPFEDSA-N 2 1 356.511 0.849 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434175648 489915187 /nfs/dbraw/zinc/91/51/87/489915187.db2.gz ZFOBRNVOCOYRTB-MRXNPFEDSA-N 2 1 356.511 0.849 10 0 FCAEMP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420413110 489973334 /nfs/dbraw/zinc/97/33/34/489973334.db2.gz ZRGBBHYJJZQIQZ-FUHWJXTLSA-N 2 1 374.485 0.631 10 0 FCAEMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420413110 489973336 /nfs/dbraw/zinc/97/33/36/489973336.db2.gz ZRGBBHYJJZQIQZ-FUHWJXTLSA-N 2 1 374.485 0.631 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000477617648 489977704 /nfs/dbraw/zinc/97/77/04/489977704.db2.gz SFYWUTPGHISKCN-QGZVFWFLSA-N 2 1 350.507 0.920 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCOC)CC2)[C@H](C)C1 ZINC000477645735 489981033 /nfs/dbraw/zinc/98/10/33/489981033.db2.gz NULKFFBEGCEWEM-NVXWUHKLSA-N 2 1 368.522 0.402 10 0 FCAEMP CN1CCN(c2cc(CNC(=O)N[C@@H]3CCc4nc[nH]c4C3)ccn2)CC1 ZINC000378024977 489997421 /nfs/dbraw/zinc/99/74/21/489997421.db2.gz OZXCDAPDRNROJK-OAHLLOKOSA-N 2 1 369.473 0.913 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005695 /nfs/dbraw/zinc/00/56/95/490005695.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 1 363.449 0.409 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(F)(F)[C@H](CO)C2)C1 ZINC000463224674 490005697 /nfs/dbraw/zinc/00/56/97/490005697.db2.gz FSYJXRRRKXTJKK-GJZGRUSLSA-N 2 1 363.449 0.409 10 0 FCAEMP C[NH+](C)CCN1C(=O)C[C@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000465029244 490076574 /nfs/dbraw/zinc/07/65/74/490076574.db2.gz KAOMMGSOPUXPNB-KRWDZBQOSA-N 2 1 366.506 0.252 10 0 FCAEMP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000571282196 491297751 /nfs/dbraw/zinc/29/77/51/491297751.db2.gz BKTZMYKGZQVMRX-IAGOWNOFSA-N 2 1 363.458 0.674 10 0 FCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000571304032 491298992 /nfs/dbraw/zinc/29/89/92/491298992.db2.gz SVDIPYJXPAMJQM-MRXNPFEDSA-N 2 1 365.522 0.986 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000496263112 490109470 /nfs/dbraw/zinc/10/94/70/490109470.db2.gz HYQXCBASAAFUJA-CVEARBPZSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496263112 490109472 /nfs/dbraw/zinc/10/94/72/490109472.db2.gz HYQXCBASAAFUJA-CVEARBPZSA-N 2 1 367.538 0.070 10 0 FCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000496263112 490109474 /nfs/dbraw/zinc/10/94/74/490109474.db2.gz HYQXCBASAAFUJA-CVEARBPZSA-N 2 1 367.538 0.070 10 0 FCAEMP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000385672981 490129169 /nfs/dbraw/zinc/12/91/69/490129169.db2.gz FDMZGWWQECDJDM-QZTJIDSGSA-N 2 1 367.515 0.806 10 0 FCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382750669 490129561 /nfs/dbraw/zinc/12/95/61/490129561.db2.gz FRMZZRFWDLBGRT-WMZOPIPTSA-N 2 1 367.515 0.901 10 0 FCAEMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000388479744 490133851 /nfs/dbraw/zinc/13/38/51/490133851.db2.gz ASNHTMCPDCAUPJ-ZWKOTPCHSA-N 2 1 367.515 0.901 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000408029283 490216742 /nfs/dbraw/zinc/21/67/42/490216742.db2.gz SSBVCGASNBRPNV-IRXDYDNUSA-N 2 1 353.488 0.842 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000408029283 490216749 /nfs/dbraw/zinc/21/67/49/490216749.db2.gz SSBVCGASNBRPNV-IRXDYDNUSA-N 2 1 353.488 0.842 10 0 FCAEMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000546564752 490220322 /nfs/dbraw/zinc/22/03/22/490220322.db2.gz BHXRYONNNNUBLQ-INIZCTEOSA-N 2 1 352.479 0.917 10 0 FCAEMP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000546564752 490220326 /nfs/dbraw/zinc/22/03/26/490220326.db2.gz BHXRYONNNNUBLQ-INIZCTEOSA-N 2 1 352.479 0.917 10 0 FCAEMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000546564752 490220332 /nfs/dbraw/zinc/22/03/32/490220332.db2.gz BHXRYONNNNUBLQ-INIZCTEOSA-N 2 1 352.479 0.917 10 0 FCAEMP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000546564752 490220335 /nfs/dbraw/zinc/22/03/35/490220335.db2.gz BHXRYONNNNUBLQ-INIZCTEOSA-N 2 1 352.479 0.917 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2cnn(C)c2)C1 ZINC000546704858 490234541 /nfs/dbraw/zinc/23/45/41/490234541.db2.gz GSRHIUPIFYUPGO-INIZCTEOSA-N 2 1 351.495 0.718 10 0 FCAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521412123 490258659 /nfs/dbraw/zinc/25/86/59/490258659.db2.gz BLAOQPDVRJHZPX-NVXWUHKLSA-N 2 1 365.522 0.570 10 0 FCAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000533673853 490274682 /nfs/dbraw/zinc/27/46/82/490274682.db2.gz IZJUBFOOBOPDMY-SFHVURJKSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000547750483 490351680 /nfs/dbraw/zinc/35/16/80/490351680.db2.gz WEEQHKVRNZBYOJ-HNNXBMFYSA-N 2 1 352.523 0.506 10 0 FCAEMP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000484645535 490453027 /nfs/dbraw/zinc/45/30/27/490453027.db2.gz WBEYLXQJMKBUPE-GVDBMIGSSA-N 2 1 357.495 0.243 10 0 FCAEMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423056123 490531444 /nfs/dbraw/zinc/53/14/44/490531444.db2.gz FBACLMQXRISZGT-ROUUACIJSA-N 2 1 358.486 0.930 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423064947 490533249 /nfs/dbraw/zinc/53/32/49/490533249.db2.gz ZYZUEACRRSHVGA-NJAFHUGGSA-N 2 1 358.486 0.915 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423064945 490533733 /nfs/dbraw/zinc/53/37/33/490533733.db2.gz ZYZUEACRRSHVGA-BPQIPLTHSA-N 2 1 358.486 0.915 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423064946 490533815 /nfs/dbraw/zinc/53/38/15/490533815.db2.gz ZYZUEACRRSHVGA-KBAYOESNSA-N 2 1 358.486 0.915 10 0 FCAEMP O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000524766413 490556782 /nfs/dbraw/zinc/55/67/82/490556782.db2.gz LFRIEKFIMFZRRS-IBGZPJMESA-N 2 1 364.534 0.916 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]2CCC[C@H]21 ZINC000556886888 491342589 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KEMQMIJBKKXFFQ-JKSUJKDBSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)nc2)C1 ZINC000643974693 492617815 /nfs/dbraw/zinc/61/78/15/492617815.db2.gz KEMQMIJBKKXFFQ-JKSUJKDBSA-N 2 1 359.474 0.730 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)nc2)C1 ZINC000643974693 492617820 /nfs/dbraw/zinc/61/78/20/492617820.db2.gz KEMQMIJBKKXFFQ-JKSUJKDBSA-N 2 1 359.474 0.730 10 0 FCAEMP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590451 492657530 /nfs/dbraw/zinc/65/75/30/492657530.db2.gz BGBOLQJIFBTGLM-INIZCTEOSA-N 2 1 354.495 0.062 10 0 FCAEMP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC000650642507 492657618 /nfs/dbraw/zinc/65/76/18/492657618.db2.gz FDGFUOYRXRLGEF-JKSUJKDBSA-N 2 1 353.511 0.522 10 0 FCAEMP Cc1ccc(NCCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH+]c1 ZINC000650666936 492660185 /nfs/dbraw/zinc/66/01/85/492660185.db2.gz TXXQPVHSBIAYGS-UHFFFAOYSA-N 2 1 362.478 0.029 10 0 FCAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650808813 492669199 /nfs/dbraw/zinc/66/91/99/492669199.db2.gz MXEHBDJCSJFWLM-AWEZNQCLSA-N 2 1 350.467 0.243 10 0 FCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000625406171 492775201 /nfs/dbraw/zinc/77/52/01/492775201.db2.gz QILNUPIUHWDYNW-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625406171 492775204 /nfs/dbraw/zinc/77/52/04/492775204.db2.gz QILNUPIUHWDYNW-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000625406171 492775208 /nfs/dbraw/zinc/77/52/08/492775208.db2.gz QILNUPIUHWDYNW-WBVHZDCISA-N 2 1 350.507 0.920 10 0 FCAEMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000625466439 492789515 /nfs/dbraw/zinc/78/95/15/492789515.db2.gz SXJJUZMNDFHJPR-QGZVFWFLSA-N 3 1 367.538 0.071 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cnn1C ZINC000657835950 492801665 /nfs/dbraw/zinc/80/16/65/492801665.db2.gz RXFDGINHCSJZCG-OAHLLOKOSA-N 2 1 364.494 0.542 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889311 492870432 /nfs/dbraw/zinc/87/04/32/492870432.db2.gz IGFKONVQCJPFTO-KZNAEPCWSA-N 2 1 352.523 0.533 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152205 492888199 /nfs/dbraw/zinc/88/81/99/492888199.db2.gz GYCCYERRSBZPAE-BFYDXBDKSA-N 2 1 353.511 0.160 10 0 FCAEMP CCO[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C[NH3+] ZINC000652152205 492888202 /nfs/dbraw/zinc/88/82/02/492888202.db2.gz GYCCYERRSBZPAE-BFYDXBDKSA-N 2 1 353.511 0.160 10 0 FCAEMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000652362556 492916009 /nfs/dbraw/zinc/91/60/09/492916009.db2.gz JONOCGQCWCDSJR-IMJJTQAJSA-N 2 1 371.507 0.059 10 0 FCAEMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360638 492916232 /nfs/dbraw/zinc/91/62/32/492916232.db2.gz NJFRKTSFHZGVQS-XHSDSOJGSA-N 2 1 354.495 0.332 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCO1 ZINC000658576446 492964005 /nfs/dbraw/zinc/96/40/05/492964005.db2.gz HBFRZSPHKSEBPP-QGZVFWFLSA-N 2 1 366.506 0.252 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCc1ncn(C)n1 ZINC000645768816 492973407 /nfs/dbraw/zinc/97/34/07/492973407.db2.gz ZOGOKYLDRPEVOM-INIZCTEOSA-N 2 1 365.526 0.805 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000658613495 492980747 /nfs/dbraw/zinc/98/07/47/492980747.db2.gz LVUCXEZKZXXTGQ-IKGGRYGDSA-N 2 1 366.506 0.251 10 0 FCAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652675056 492985920 /nfs/dbraw/zinc/98/59/20/492985920.db2.gz MNLRJAJVXNWHMY-KRWDZBQOSA-N 2 1 368.522 0.594 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2CC)C[C@H]1C[NH3+] ZINC000652674837 492986085 /nfs/dbraw/zinc/98/60/85/492986085.db2.gz HEJXODQXVIWQAM-OWCLPIDISA-N 2 1 354.495 0.189 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652682840 492989211 /nfs/dbraw/zinc/98/92/11/492989211.db2.gz WSKKQVGWDLURAM-YYIAUSFCSA-N 2 1 368.522 0.293 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)NCCC1(C[NH3+])CC1)Cc1ccc(F)cc1 ZINC000652693546 492992036 /nfs/dbraw/zinc/99/20/36/492992036.db2.gz WMESCKVBOMCZSG-UHFFFAOYSA-N 2 1 350.438 0.619 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000652719807 493002172 /nfs/dbraw/zinc/00/21/72/493002172.db2.gz NCUYWBPSZIQJOR-ZWKOTPCHSA-N 2 1 358.486 0.965 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652720578 493002601 /nfs/dbraw/zinc/00/26/01/493002601.db2.gz IDHFRKLJQPYJBT-INIZCTEOSA-N 2 1 374.485 0.203 10 0 FCAEMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658687120 493006960 /nfs/dbraw/zinc/00/69/60/493006960.db2.gz PKFFABWNIFXTKA-QGZVFWFLSA-N 2 1 368.522 0.234 10 0 FCAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626806415 493022903 /nfs/dbraw/zinc/02/29/03/493022903.db2.gz KQVLSAINJXAGCG-AWEZNQCLSA-N 2 1 360.458 0.907 10 0 FCAEMP C[NH+]1CCN(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000652813947 493023527 /nfs/dbraw/zinc/02/35/27/493023527.db2.gz ODSRTZYWTHPWJH-UXHICEINSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH+]1CCN(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000652813947 493023531 /nfs/dbraw/zinc/02/35/31/493023531.db2.gz ODSRTZYWTHPWJH-UXHICEINSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH+]1CCN(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000652813948 493023698 /nfs/dbraw/zinc/02/36/98/493023698.db2.gz ODSRTZYWTHPWJH-VQTJNVASSA-N 2 1 372.513 0.736 10 0 FCAEMP C[NH+]1CCN(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000652813948 493023703 /nfs/dbraw/zinc/02/37/03/493023703.db2.gz ODSRTZYWTHPWJH-VQTJNVASSA-N 2 1 372.513 0.736 10 0 FCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C[N@H+]1C1CC1 ZINC000626809162 493024081 /nfs/dbraw/zinc/02/40/81/493024081.db2.gz SBLXFNAPDQDTNE-IUODEOHRSA-N 2 1 358.442 0.849 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000658802467 493060639 /nfs/dbraw/zinc/06/06/39/493060639.db2.gz KIJQWRHKICMKDT-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCOC ZINC000658802467 493060641 /nfs/dbraw/zinc/06/06/41/493060641.db2.gz KIJQWRHKICMKDT-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCOC ZINC000658802467 493060642 /nfs/dbraw/zinc/06/06/42/493060642.db2.gz KIJQWRHKICMKDT-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000658802467 493060644 /nfs/dbraw/zinc/06/06/44/493060644.db2.gz KIJQWRHKICMKDT-IRXDYDNUSA-N 2 1 368.522 0.498 10 0 FCAEMP C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000653124168 493074645 /nfs/dbraw/zinc/07/46/45/493074645.db2.gz SDYBGLCJDYNCOS-QGZVFWFLSA-N 2 1 361.490 0.221 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000627011718 493080430 /nfs/dbraw/zinc/08/04/30/493080430.db2.gz IKWIJEPZVNIWAC-KRWDZBQOSA-N 2 1 350.463 0.288 10 0 FCAEMP [NH3+]CCCOCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000627011659 493080540 /nfs/dbraw/zinc/08/05/40/493080540.db2.gz HIPQIGGZVZWODS-QGZVFWFLSA-N 2 1 350.463 0.418 10 0 FCAEMP C[N@@H+](CCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000627056611 493084608 /nfs/dbraw/zinc/08/46/08/493084608.db2.gz CEYBRAAVGBTRMJ-UHFFFAOYSA-N 2 1 366.510 0.213 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627176075 493101142 /nfs/dbraw/zinc/10/11/42/493101142.db2.gz ISHSLAOJHWOXQP-GOSISDBHSA-N 2 1 350.463 0.159 10 0 FCAEMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658905116 493108101 /nfs/dbraw/zinc/10/81/01/493108101.db2.gz XSOGPFBQSQVYIG-KRWDZBQOSA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658905116 493108105 /nfs/dbraw/zinc/10/81/05/493108105.db2.gz XSOGPFBQSQVYIG-KRWDZBQOSA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[NH+](C)CCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658905116 493108108 /nfs/dbraw/zinc/10/81/08/493108108.db2.gz XSOGPFBQSQVYIG-KRWDZBQOSA-N 2 1 368.522 0.138 10 0 FCAEMP [NH3+]CCCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000627215700 493108936 /nfs/dbraw/zinc/10/89/36/493108936.db2.gz MYVRRBMXERJPRN-MSOLQXFVSA-N 2 1 364.490 0.534 10 0 FCAEMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658926705 493112180 /nfs/dbraw/zinc/11/21/80/493112180.db2.gz GKMRZZFSAAIQDQ-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]([N@H+]4CC[C@H](O)C4)C3)n2)CC1 ZINC000627262236 493122953 /nfs/dbraw/zinc/12/29/53/493122953.db2.gz JZQGBHRXIGNYBH-HOTGVXAUSA-N 2 1 359.474 0.115 10 0 FCAEMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000627290765 493135844 /nfs/dbraw/zinc/13/58/44/493135844.db2.gz AVEBWNCIFYBODW-RYGJVYDSSA-N 2 1 374.485 0.991 10 0 FCAEMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627292491 493136948 /nfs/dbraw/zinc/13/69/48/493136948.db2.gz VZKAGOUEFZZNBP-SJORKVTESA-N 2 1 356.470 0.778 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000627296307 493139481 /nfs/dbraw/zinc/13/94/81/493139481.db2.gz DCYSGKXPANCCSC-OKZBNKHCSA-N 2 1 374.485 0.126 10 0 FCAEMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000627297700 493140310 /nfs/dbraw/zinc/14/03/10/493140310.db2.gz QWWBHDMVSOEXSZ-IRXDYDNUSA-N 2 1 362.474 0.242 10 0 FCAEMP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659078828 493143532 /nfs/dbraw/zinc/14/35/32/493143532.db2.gz JUNIGZJSPQFCFA-MSOLQXFVSA-N 2 1 372.469 0.887 10 0 FCAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311572 493145919 /nfs/dbraw/zinc/14/59/19/493145919.db2.gz CALOIFNAUDXOPH-OHQAAIJDSA-N 2 1 350.507 0.681 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1ccsc1 ZINC000627357985 493175204 /nfs/dbraw/zinc/17/52/04/493175204.db2.gz WSAYVDGQYOMLPN-ZDUSSCGKSA-N 2 1 354.476 0.091 10 0 FCAEMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)CC1 ZINC000659286625 493183058 /nfs/dbraw/zinc/18/30/58/493183058.db2.gz MYCSRUSCYSZDOV-KRWDZBQOSA-N 2 1 368.522 0.532 10 0 FCAEMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627394026 493199506 /nfs/dbraw/zinc/19/95/06/493199506.db2.gz UKVIWDOMSPFHBX-XJKSGUPXSA-N 2 1 350.438 0.630 10 0 FCAEMP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1F ZINC000672595353 493213327 /nfs/dbraw/zinc/21/33/27/493213327.db2.gz AUEUCKOCTDFPFT-HNNXBMFYSA-N 2 1 350.438 0.714 10 0 FCAEMP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC000659611964 493221251 /nfs/dbraw/zinc/22/12/51/493221251.db2.gz UQNBBNGUTYVHPS-ARFHVFGLSA-N 2 1 352.479 0.389 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659626914 493222585 /nfs/dbraw/zinc/22/25/85/493222585.db2.gz NSTSLTOFKVPIFA-OTWHNJEPSA-N 2 1 357.502 0.663 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659626914 493222588 /nfs/dbraw/zinc/22/25/88/493222588.db2.gz NSTSLTOFKVPIFA-OTWHNJEPSA-N 2 1 357.502 0.663 10 0 FCAEMP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666944833 493240254 /nfs/dbraw/zinc/24/02/54/493240254.db2.gz QGGRCYGGROXLQM-BFYDXBDKSA-N 2 1 354.495 0.242 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000659676889 493246380 /nfs/dbraw/zinc/24/63/80/493246380.db2.gz KTCULMKMFVYRFT-RRCSTGOVSA-N 2 1 354.470 0.653 10 0 FCAEMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686526 493252536 /nfs/dbraw/zinc/25/25/36/493252536.db2.gz DWIQRCKRKPBTKB-GNZRSQJKSA-N 2 1 356.470 0.635 10 0 FCAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC000667054688 493255041 /nfs/dbraw/zinc/25/50/41/493255041.db2.gz RITKKRGAQJOOOI-UHFFFAOYSA-N 2 1 352.398 0.975 10 0 FCAEMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CCC(F)(F)F ZINC000659690693 493255297 /nfs/dbraw/zinc/25/52/97/493255297.db2.gz RVBCWGUOEZMHPL-GHMZBOCLSA-N 2 1 356.364 0.275 10 0 FCAEMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CCC(F)(F)F ZINC000659690693 493255300 /nfs/dbraw/zinc/25/53/00/493255300.db2.gz RVBCWGUOEZMHPL-GHMZBOCLSA-N 2 1 356.364 0.275 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000659695549 493257492 /nfs/dbraw/zinc/25/74/92/493257492.db2.gz AMAQXGAUMBQKGT-USXIJHARSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659695549 493257494 /nfs/dbraw/zinc/25/74/94/493257494.db2.gz AMAQXGAUMBQKGT-USXIJHARSA-N 2 1 366.506 0.060 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659697104 493258523 /nfs/dbraw/zinc/25/85/23/493258523.db2.gz OVLKPADTBANIJY-BQSYYEAHSA-N 2 1 370.497 0.963 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659699650 493260097 /nfs/dbraw/zinc/26/00/97/493260097.db2.gz RHWVNPQHNHEYBV-BRWVUGGUSA-N 2 1 362.449 0.522 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000659701401 493261507 /nfs/dbraw/zinc/26/15/07/493261507.db2.gz DLHICCIXRMLXOU-MAUKXSAKSA-N 2 1 362.518 0.991 10 0 FCAEMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659702005 493262707 /nfs/dbraw/zinc/26/27/07/493262707.db2.gz KPKBWXDQFFCYCL-KZNAEPCWSA-N 2 1 362.518 0.968 10 0 FCAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659703532 493263573 /nfs/dbraw/zinc/26/35/73/493263573.db2.gz CBUDDPAIQIFYSH-WBVHZDCISA-N 2 1 362.518 0.825 10 0 FCAEMP CC1[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000667182066 493264664 /nfs/dbraw/zinc/26/46/64/493264664.db2.gz UAZDKINKLGCIFI-KNCCTNLNSA-N 2 1 360.502 0.574 10 0 FCAEMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659707065 493265476 /nfs/dbraw/zinc/26/54/76/493265476.db2.gz UVYLCTKSNCWVRT-KRWDZBQOSA-N 2 1 366.506 0.063 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000659710385 493267308 /nfs/dbraw/zinc/26/73/08/493267308.db2.gz RASYGJMYMFEDRZ-XAUUPUKJSA-N 2 1 360.458 0.873 10 0 FCAEMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659716915 493269728 /nfs/dbraw/zinc/26/97/28/493269728.db2.gz YRRQNVJGPDGFGT-QKPAOTATSA-N 2 1 364.490 0.132 10 0 FCAEMP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659718292 493270435 /nfs/dbraw/zinc/27/04/35/493270435.db2.gz OLQNOCXPGLZNST-NVXWUHKLSA-N 2 1 358.486 0.868 10 0 FCAEMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659719184 493271276 /nfs/dbraw/zinc/27/12/76/493271276.db2.gz SLMDXYMJWRJOTH-ARFHVFGLSA-N 2 1 366.506 0.236 10 0 FCAEMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659722094 493271809 /nfs/dbraw/zinc/27/18/09/493271809.db2.gz MJEIJZJKBWCLRT-ARFHVFGLSA-N 2 1 364.490 0.004 10 0 FCAEMP C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC[NH2+]1 ZINC000659722253 493272423 /nfs/dbraw/zinc/27/24/23/493272423.db2.gz MZFYBJWPJQUVTD-ZJIFWQFVSA-N 2 1 364.490 0.003 10 0 FCAEMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659740349 493280829 /nfs/dbraw/zinc/28/08/29/493280829.db2.gz LPFDZUCTNQFNNR-WBTXTPOCSA-N 2 1 370.497 0.630 10 0 FCAEMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000659741048 493281056 /nfs/dbraw/zinc/28/10/56/493281056.db2.gz JHZITHBNXRGURI-OAHLLOKOSA-N 2 1 356.511 0.293 10 0 FCAEMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(=O)N1CC[NH2+]CC1 ZINC000659740892 493281110 /nfs/dbraw/zinc/28/11/10/493281110.db2.gz QKZQWXXJOXMQGI-GOSISDBHSA-N 2 1 370.497 0.837 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000659742822 493281954 /nfs/dbraw/zinc/28/19/54/493281954.db2.gz WSNHZWWDTXDFQD-HZPDHXFCSA-N 2 1 356.511 0.435 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC[N@H+]1CCOC ZINC000659742822 493281957 /nfs/dbraw/zinc/28/19/57/493281957.db2.gz WSNHZWWDTXDFQD-HZPDHXFCSA-N 2 1 356.511 0.435 10 0 FCAEMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000682285529 493287115 /nfs/dbraw/zinc/28/71/15/493287115.db2.gz ACPITQJXKJFJJJ-UONOGXRCSA-N 2 1 350.467 0.324 10 0 FCAEMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000682285529 493287117 /nfs/dbraw/zinc/28/71/17/493287117.db2.gz ACPITQJXKJFJJJ-UONOGXRCSA-N 2 1 350.467 0.324 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000682293960 493288597 /nfs/dbraw/zinc/28/85/97/493288597.db2.gz BYVZQWQKYUYORM-GOEBONIOSA-N 2 1 362.478 0.326 10 0 FCAEMP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000660071709 493321139 /nfs/dbraw/zinc/32/11/39/493321139.db2.gz MHNWGFDDOCWIKF-GOSISDBHSA-N 2 1 354.539 0.564 10 0 FCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000660071709 493321143 /nfs/dbraw/zinc/32/11/43/493321143.db2.gz MHNWGFDDOCWIKF-GOSISDBHSA-N 2 1 354.539 0.564 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000673424319 493326675 /nfs/dbraw/zinc/32/66/75/493326675.db2.gz UZWIRXCDFYYSSC-ROUUACIJSA-N 2 1 374.485 0.080 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000673424319 493326676 /nfs/dbraw/zinc/32/66/76/493326676.db2.gz UZWIRXCDFYYSSC-ROUUACIJSA-N 2 1 374.485 0.080 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000673424319 493326678 /nfs/dbraw/zinc/32/66/78/493326678.db2.gz UZWIRXCDFYYSSC-ROUUACIJSA-N 2 1 374.485 0.080 10 0 FCAEMP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668511944 493368126 /nfs/dbraw/zinc/36/81/26/493368126.db2.gz NOIUMYWRCXFXPF-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000668511944 493368128 /nfs/dbraw/zinc/36/81/28/493368128.db2.gz NOIUMYWRCXFXPF-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000668511944 493368130 /nfs/dbraw/zinc/36/81/30/493368130.db2.gz NOIUMYWRCXFXPF-KRWDZBQOSA-N 2 1 367.538 0.073 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660652939 493370037 /nfs/dbraw/zinc/37/00/37/493370037.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 2 1 366.550 0.877 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660652939 493370041 /nfs/dbraw/zinc/37/00/41/493370041.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 2 1 366.550 0.877 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660652939 493370043 /nfs/dbraw/zinc/37/00/43/493370043.db2.gz MVWVGVFJOWWUTG-AZUAARDMSA-N 2 1 366.550 0.877 10 0 FCAEMP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000683911550 493379062 /nfs/dbraw/zinc/37/90/62/493379062.db2.gz GOGSKGAILKELPS-CTNGQTDRSA-N 2 1 374.529 0.890 10 0 FCAEMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000668672061 493394751 /nfs/dbraw/zinc/39/47/51/493394751.db2.gz FYHPPHXBZQEHTD-ARFHVFGLSA-N 2 1 366.506 0.202 10 0 FCAEMP C(=C/C[N@H+]1CC[C@@H](Cn2ccnn2)C1)\C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143368 493411973 /nfs/dbraw/zinc/41/19/73/493411973.db2.gz UBGRGVBBHJIHJJ-KVHJKKSTSA-N 2 1 356.478 0.770 10 0 FCAEMP C(=C/C[N@@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143368 493411976 /nfs/dbraw/zinc/41/19/76/493411976.db2.gz UBGRGVBBHJIHJJ-KVHJKKSTSA-N 2 1 356.478 0.770 10 0 FCAEMP C(=C/C[N@H+]1CC[C@H](Cn2ccnn2)C1)\C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143368 493411979 /nfs/dbraw/zinc/41/19/79/493411979.db2.gz UBGRGVBBHJIHJJ-KVHJKKSTSA-N 2 1 356.478 0.770 10 0 FCAEMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[N@@H+](C)C1CC1 ZINC000668796692 493412771 /nfs/dbraw/zinc/41/27/71/493412771.db2.gz ZRWCRSPPLFSWLW-ZBFHGGJFSA-N 2 1 354.495 0.155 10 0 FCAEMP CCN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000668992737 493448520 /nfs/dbraw/zinc/44/85/20/493448520.db2.gz VLKLRVHUAYPBMQ-INIZCTEOSA-N 2 1 367.538 0.071 10 0 FCAEMP CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](CC)C1 ZINC000668992737 493448522 /nfs/dbraw/zinc/44/85/22/493448522.db2.gz VLKLRVHUAYPBMQ-INIZCTEOSA-N 2 1 367.538 0.071 10 0 FCAEMP CCN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](CC)C1 ZINC000668992737 493448526 /nfs/dbraw/zinc/44/85/26/493448526.db2.gz VLKLRVHUAYPBMQ-INIZCTEOSA-N 2 1 367.538 0.071 10 0 FCAEMP CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685131258 493450401 /nfs/dbraw/zinc/45/04/01/493450401.db2.gz QFICILCBEAAXFC-UHFFFAOYSA-N 2 1 373.461 0.206 10 0 FCAEMP O=C(C[N@H+]1CCC(CO)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661943827 493477457 /nfs/dbraw/zinc/47/74/57/493477457.db2.gz NEFRIPKHOQMBMC-UHFFFAOYSA-N 2 1 361.486 0.575 10 0 FCAEMP O=C(C[N@@H+]1CCC(CO)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661943827 493477460 /nfs/dbraw/zinc/47/74/60/493477460.db2.gz NEFRIPKHOQMBMC-UHFFFAOYSA-N 2 1 361.486 0.575 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342459 493481640 /nfs/dbraw/zinc/48/16/40/493481640.db2.gz HZJKXQFHAZCWRJ-BBWFWOEESA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342459 493481642 /nfs/dbraw/zinc/48/16/42/493481642.db2.gz HZJKXQFHAZCWRJ-BBWFWOEESA-N 2 1 366.506 0.299 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000669250346 493482826 /nfs/dbraw/zinc/48/28/26/493482826.db2.gz JEYSIIMHKVKHOG-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000669250346 493482830 /nfs/dbraw/zinc/48/28/30/493482830.db2.gz JEYSIIMHKVKHOG-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000669250346 493482834 /nfs/dbraw/zinc/48/28/34/493482834.db2.gz JEYSIIMHKVKHOG-HZPDHXFCSA-N 2 1 354.495 0.156 10 0 FCAEMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279880 493502344 /nfs/dbraw/zinc/50/23/44/493502344.db2.gz MYOXHHWCVBOMEY-JKSUJKDBSA-N 2 1 357.520 0.834 10 0 FCAEMP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279880 493502347 /nfs/dbraw/zinc/50/23/47/493502347.db2.gz MYOXHHWCVBOMEY-JKSUJKDBSA-N 2 1 357.520 0.834 10 0 FCAEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000662319578 493506130 /nfs/dbraw/zinc/50/61/30/493506130.db2.gz ODNBOWPAUCOIBY-MRXNPFEDSA-N 2 1 371.503 0.755 10 0 FCAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000662319578 493506131 /nfs/dbraw/zinc/50/61/31/493506131.db2.gz ODNBOWPAUCOIBY-MRXNPFEDSA-N 2 1 371.503 0.755 10 0 FCAEMP O=C(NCCN1CC[NH2+]CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662399882 493512413 /nfs/dbraw/zinc/51/24/13/493512413.db2.gz FHZOKSKPBVDXSQ-UHFFFAOYSA-N 2 1 359.293 0.749 10 0 FCAEMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000676088954 493522827 /nfs/dbraw/zinc/52/28/27/493522827.db2.gz FRFCVOYGFJLKTE-JKSUJKDBSA-N 2 1 354.414 0.949 10 0 FCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662709573 493533900 /nfs/dbraw/zinc/53/39/00/493533900.db2.gz CBWPIYZFRLODCP-LBPRGKRZSA-N 2 1 351.451 0.541 10 0 FCAEMP COC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH2+]C1 ZINC000662741711 493535884 /nfs/dbraw/zinc/53/58/84/493535884.db2.gz GNDWBXOKIZBJHM-ICSRJNTNSA-N 2 1 360.502 0.545 10 0 FCAEMP COC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH2+]C1 ZINC000662741711 493535886 /nfs/dbraw/zinc/53/58/86/493535886.db2.gz GNDWBXOKIZBJHM-ICSRJNTNSA-N 2 1 360.502 0.545 10 0 FCAEMP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH2+]C1 ZINC000662741713 493536227 /nfs/dbraw/zinc/53/62/27/493536227.db2.gz GNDWBXOKIZBJHM-UYAOXDASSA-N 2 1 360.502 0.545 10 0 FCAEMP COC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH2+]C1 ZINC000662741713 493536228 /nfs/dbraw/zinc/53/62/28/493536228.db2.gz GNDWBXOKIZBJHM-UYAOXDASSA-N 2 1 360.502 0.545 10 0 FCAEMP CN(C(=O)COC1CCC([NH3+])CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900189 493549995 /nfs/dbraw/zinc/54/99/95/493549995.db2.gz KFNHKXHQUHDSHO-IIIMJFFVSA-N 2 1 352.523 0.900 10 0 FCAEMP CN(C(=O)COC1CCC([NH3+])CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900189 493549998 /nfs/dbraw/zinc/54/99/98/493549998.db2.gz KFNHKXHQUHDSHO-IIIMJFFVSA-N 2 1 352.523 0.900 10 0 FCAEMP CN(C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662930435 493555300 /nfs/dbraw/zinc/55/53/00/493555300.db2.gz QMTIMWFQHQDBMH-AEFFLSMTSA-N 2 1 362.518 0.920 10 0 FCAEMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000662939570 493556711 /nfs/dbraw/zinc/55/67/11/493556711.db2.gz AQTUOXIZUQXAIB-TZKKQGAMSA-N 2 1 368.481 0.527 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662940698 493557174 /nfs/dbraw/zinc/55/71/74/493557174.db2.gz OOEZAUNMECFYBF-GOSISDBHSA-N 2 1 360.502 0.674 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662940698 493557175 /nfs/dbraw/zinc/55/71/75/493557175.db2.gz OOEZAUNMECFYBF-GOSISDBHSA-N 2 1 360.502 0.674 10 0 FCAEMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(CO)COCCN1Cc1ccccc1)C1CC1 ZINC000663366967 493585754 /nfs/dbraw/zinc/58/57/54/493585754.db2.gz YIWHKLTYLFROSS-VQTJNVASSA-N 2 1 363.502 0.295 10 0 FCAEMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(CO)COCCN1Cc1ccccc1)C1CC1 ZINC000663366967 493585757 /nfs/dbraw/zinc/58/57/57/493585757.db2.gz YIWHKLTYLFROSS-VQTJNVASSA-N 2 1 363.502 0.295 10 0 FCAEMP CNC(=O)c1cccc(OCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000677549076 493607904 /nfs/dbraw/zinc/60/79/04/493607904.db2.gz ANJGQVQWVHEEFG-MRXNPFEDSA-N 2 1 374.485 0.710 10 0 FCAEMP CNC(=O)c1cccc(OCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000677549076 493607906 /nfs/dbraw/zinc/60/79/06/493607906.db2.gz ANJGQVQWVHEEFG-MRXNPFEDSA-N 2 1 374.485 0.710 10 0 FCAEMP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663691227 493612563 /nfs/dbraw/zinc/61/25/63/493612563.db2.gz BGZHYVRQZAQPTK-IAGOWNOFSA-N 2 1 368.522 0.897 10 0 FCAEMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663691227 493612564 /nfs/dbraw/zinc/61/25/64/493612564.db2.gz BGZHYVRQZAQPTK-IAGOWNOFSA-N 2 1 368.522 0.897 10 0 FCAEMP Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2 ZINC000663942433 493627498 /nfs/dbraw/zinc/62/74/98/493627498.db2.gz ODEPXPQDWCZLLZ-DZGCQCFKSA-N 2 1 351.499 0.473 10 0 FCAEMP Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000663942433 493627500 /nfs/dbraw/zinc/62/75/00/493627500.db2.gz ODEPXPQDWCZLLZ-DZGCQCFKSA-N 2 1 351.499 0.473 10 0 FCAEMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCOC[C@H]1C1CC1 ZINC000677980426 493628906 /nfs/dbraw/zinc/62/89/06/493628906.db2.gz BHECJQPKOITQGR-SFHVURJKSA-N 2 1 351.491 0.668 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnnn1-c1ccccc1 ZINC000664029657 493631234 /nfs/dbraw/zinc/63/12/34/493631234.db2.gz LDEKRNGKYDMTRF-HNNXBMFYSA-N 2 1 374.493 0.734 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nnnn1-c1ccccc1 ZINC000664029657 493631236 /nfs/dbraw/zinc/63/12/36/493631236.db2.gz LDEKRNGKYDMTRF-HNNXBMFYSA-N 2 1 374.493 0.734 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCOCC1 ZINC000664191356 493643353 /nfs/dbraw/zinc/64/33/53/493643353.db2.gz SDQYNVGADUJWLW-NVXWUHKLSA-N 2 1 354.495 0.195 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCOCC1 ZINC000664191356 493643355 /nfs/dbraw/zinc/64/33/55/493643355.db2.gz SDQYNVGADUJWLW-NVXWUHKLSA-N 2 1 354.495 0.195 10 0 FCAEMP C[NH+](C)CCn1cc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cn1 ZINC000678764931 493659646 /nfs/dbraw/zinc/65/96/46/493659646.db2.gz YWHBHWLACOYOFE-UHFFFAOYSA-N 2 1 352.483 0.755 10 0 FCAEMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000671389425 493663370 /nfs/dbraw/zinc/66/33/70/493663370.db2.gz CSDYJCGHUZOMSK-HUUCEWRRSA-N 2 1 350.463 0.989 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000664570560 493668337 /nfs/dbraw/zinc/66/83/37/493668337.db2.gz UFDZWPNNSKNIDL-BQFCYCMXSA-N 2 1 356.511 0.896 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000664570560 493668338 /nfs/dbraw/zinc/66/83/38/493668338.db2.gz UFDZWPNNSKNIDL-BQFCYCMXSA-N 2 1 356.511 0.896 10 0 FCAEMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CCCO1 ZINC000664759361 493681554 /nfs/dbraw/zinc/68/15/54/493681554.db2.gz UHANIRIPLNSAIN-WMZOPIPTSA-N 2 1 368.522 0.728 10 0 FCAEMP C[C@H]1C[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCO1 ZINC000664759361 493681555 /nfs/dbraw/zinc/68/15/55/493681555.db2.gz UHANIRIPLNSAIN-WMZOPIPTSA-N 2 1 368.522 0.728 10 0 FCAEMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N(C)CC1C[NH+](C)C1)C2 ZINC000664883953 493688754 /nfs/dbraw/zinc/68/87/54/493688754.db2.gz RTGDZWMQEXEOPC-MQVJKMGUSA-N 2 1 351.495 0.273 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000671904208 493712305 /nfs/dbraw/zinc/71/23/05/493712305.db2.gz ILBFNSMPTROXEJ-OALUTQOASA-N 2 1 372.513 0.878 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000671904208 493712306 /nfs/dbraw/zinc/71/23/06/493712306.db2.gz ILBFNSMPTROXEJ-OALUTQOASA-N 2 1 372.513 0.878 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000671904208 493712307 /nfs/dbraw/zinc/71/23/07/493712307.db2.gz ILBFNSMPTROXEJ-OALUTQOASA-N 2 1 372.513 0.878 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000665759266 493733056 /nfs/dbraw/zinc/73/30/56/493733056.db2.gz BFFQGGUMXQTXHZ-XHSDSOJGSA-N 2 1 355.527 0.992 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000665759266 493733058 /nfs/dbraw/zinc/73/30/58/493733058.db2.gz BFFQGGUMXQTXHZ-XHSDSOJGSA-N 2 1 355.527 0.992 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000665759264 493733111 /nfs/dbraw/zinc/73/31/11/493733111.db2.gz BFFQGGUMXQTXHZ-HRCADAONSA-N 2 1 355.527 0.992 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000665759264 493733112 /nfs/dbraw/zinc/73/31/12/493733112.db2.gz 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/nfs/dbraw/zinc/67/44/60/671674460.db2.gz DTFJFBSVNXKUIG-CVEARBPZSA-N 2 1 354.495 0.566 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590819 671692998 /nfs/dbraw/zinc/69/29/98/671692998.db2.gz BBVHULATIDAICA-QGZVFWFLSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590819 671693000 /nfs/dbraw/zinc/69/30/00/671693000.db2.gz BBVHULATIDAICA-QGZVFWFLSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590819 671693002 /nfs/dbraw/zinc/69/30/02/671693002.db2.gz BBVHULATIDAICA-QGZVFWFLSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590819 671693003 /nfs/dbraw/zinc/69/30/03/671693003.db2.gz BBVHULATIDAICA-QGZVFWFLSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590818 671693037 /nfs/dbraw/zinc/69/30/37/671693037.db2.gz BBVHULATIDAICA-KRWDZBQOSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590818 671693039 /nfs/dbraw/zinc/69/30/39/671693039.db2.gz BBVHULATIDAICA-KRWDZBQOSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590818 671693040 /nfs/dbraw/zinc/69/30/40/671693040.db2.gz BBVHULATIDAICA-KRWDZBQOSA-N 2 1 370.519 0.926 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCNS(=O)(=O)CC)C2)ccn1 ZINC000856590818 671693042 /nfs/dbraw/zinc/69/30/42/671693042.db2.gz BBVHULATIDAICA-KRWDZBQOSA-N 2 1 370.519 0.926 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000903492876 675933346 /nfs/dbraw/zinc/93/33/46/675933346.db2.gz KKILNUCFJGIDGJ-VBQJREDUSA-N 2 1 352.456 0.802 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000903492876 675933348 /nfs/dbraw/zinc/93/33/48/675933348.db2.gz KKILNUCFJGIDGJ-VBQJREDUSA-N 2 1 352.456 0.802 10 0 FCAEMP CO[C@@H](CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(C)C ZINC000903561056 675944430 /nfs/dbraw/zinc/94/44/30/675944430.db2.gz DNIJPKOFJRKRDI-BBWFWOEESA-N 2 1 359.536 0.888 10 0 FCAEMP CO[C@@H](CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(C)C ZINC000903561056 675944432 /nfs/dbraw/zinc/94/44/32/675944432.db2.gz DNIJPKOFJRKRDI-BBWFWOEESA-N 2 1 359.536 0.888 10 0 FCAEMP O=S(=O)(C[C@H]1CCCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562439 675944980 /nfs/dbraw/zinc/94/49/80/675944980.db2.gz NIFOPOQKFKSBMA-IXDOHACOSA-N 2 1 357.520 0.786 10 0 FCAEMP O=S(=O)(C[C@H]1CCCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562439 675944981 /nfs/dbraw/zinc/94/49/81/675944981.db2.gz NIFOPOQKFKSBMA-IXDOHACOSA-N 2 1 357.520 0.786 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C[C@H]1C ZINC000903747122 675966877 /nfs/dbraw/zinc/96/68/77/675966877.db2.gz JOVCAZFLQFDFIG-YVECIDJPSA-N 2 1 364.412 0.666 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000903746717 675966994 /nfs/dbraw/zinc/96/69/94/675966994.db2.gz FNHNIVNZWJBIRF-UMSGYPCISA-N 2 1 364.412 0.523 10 0 FCAEMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903766778 675970705 /nfs/dbraw/zinc/97/07/05/675970705.db2.gz HHHVDEIXRFCEKD-TUAOUCFPSA-N 2 1 350.385 0.277 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC[NH2+]C)C(C)C)CC[N@@H+]1CCOC ZINC000903812398 675975624 /nfs/dbraw/zinc/97/56/24/675975624.db2.gz IJJZGDZEXVDJJB-MRXNPFEDSA-N 2 1 356.511 0.402 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC[NH2+]C)C(C)C)CC[N@H+]1CCOC ZINC000903812398 675975626 /nfs/dbraw/zinc/97/56/26/675975626.db2.gz IJJZGDZEXVDJJB-MRXNPFEDSA-N 2 1 356.511 0.402 10 0 FCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903759245 675969177 /nfs/dbraw/zinc/96/91/77/675969177.db2.gz NGSNVMPGTZAREL-NWDGAFQWSA-N 2 1 350.385 0.277 10 0 FCAEMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903763420 675970009 /nfs/dbraw/zinc/97/00/09/675970009.db2.gz RQLTXNCYNNFNOP-IJLUTSLNSA-N 2 1 350.385 0.276 10 0 FCAEMP COCCN(CC1CC[NH+](C)CC1)C(=S)NCCC[NH+]1CCOCC1 ZINC000865243377 672234177 /nfs/dbraw/zinc/23/41/77/672234177.db2.gz QXXNFGIESJPTKB-UHFFFAOYSA-N 2 1 372.579 0.873 10 0 FCAEMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866708932 672290381 /nfs/dbraw/zinc/29/03/81/672290381.db2.gz SUVVZJOPSKOEJG-GOSISDBHSA-N 2 1 354.495 0.984 10 0 FCAEMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866708932 672290384 /nfs/dbraw/zinc/29/03/84/672290384.db2.gz SUVVZJOPSKOEJG-GOSISDBHSA-N 2 1 354.495 0.984 10 0 FCAEMP CC1CCC(NC(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866709582 672290724 /nfs/dbraw/zinc/29/07/24/672290724.db2.gz SGOXNWZEIKGJQA-NEADZQPHSA-N 2 1 350.463 0.548 10 0 FCAEMP CC1CCC(NC(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866709582 672290727 /nfs/dbraw/zinc/29/07/27/672290727.db2.gz SGOXNWZEIKGJQA-NEADZQPHSA-N 2 1 350.463 0.548 10 0 FCAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000867524930 672331070 /nfs/dbraw/zinc/33/10/70/672331070.db2.gz RGNAYVKKJCCENM-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867524930 672331079 /nfs/dbraw/zinc/33/10/79/672331079.db2.gz RGNAYVKKJCCENM-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867524930 672331082 /nfs/dbraw/zinc/33/10/82/672331082.db2.gz RGNAYVKKJCCENM-YESZJQIVSA-N 2 1 350.507 0.872 10 0 FCAEMP CC(C)[C@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCN1C ZINC000868231454 672389738 /nfs/dbraw/zinc/38/97/38/672389738.db2.gz GMYPRVBBTAGAEL-MRXNPFEDSA-N 2 1 374.551 0.477 10 0 FCAEMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000868372182 672396460 /nfs/dbraw/zinc/39/64/60/672396460.db2.gz PKHXIAVGMMJEFC-LJQANCHMSA-N 2 1 350.507 0.907 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000869113773 672423813 /nfs/dbraw/zinc/42/38/13/672423813.db2.gz XIXKNVGSPQHQGE-AWEZNQCLSA-N 2 1 360.474 0.945 10 0 FCAEMP CO[C@H]1CCn2cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc2C1 ZINC000869237187 672426493 /nfs/dbraw/zinc/42/64/93/672426493.db2.gz QHHZHWJTDCQMTD-GJZGRUSLSA-N 2 1 351.495 0.846 10 0 FCAEMP CO[C@H]1CCn2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc2C1 ZINC000869237187 672426495 /nfs/dbraw/zinc/42/64/95/672426495.db2.gz QHHZHWJTDCQMTD-GJZGRUSLSA-N 2 1 351.495 0.846 10 0 FCAEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872191383 672599834 /nfs/dbraw/zinc/59/98/34/672599834.db2.gz YJYUJUHJPRGWLA-AVGNSLFASA-N 2 1 364.412 0.381 10 0 FCAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872191383 672599836 /nfs/dbraw/zinc/59/98/36/672599836.db2.gz YJYUJUHJPRGWLA-AVGNSLFASA-N 2 1 364.412 0.381 10 0 FCAEMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872192487 672600718 /nfs/dbraw/zinc/60/07/18/672600718.db2.gz HOLFBZRGWDFDCQ-HNNXBMFYSA-N 2 1 356.511 0.268 10 0 FCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872192487 672600719 /nfs/dbraw/zinc/60/07/19/672600719.db2.gz HOLFBZRGWDFDCQ-HNNXBMFYSA-N 2 1 356.511 0.268 10 0 FCAEMP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925165573 673780544 /nfs/dbraw/zinc/78/05/44/673780544.db2.gz TXAPGHIYBLYWBM-BZUAXINKSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925165573 673780546 /nfs/dbraw/zinc/78/05/46/673780546.db2.gz TXAPGHIYBLYWBM-BZUAXINKSA-N 2 1 356.536 0.712 10 0 FCAEMP O=C(N[C@@H]1CCC[NH+](CCCO)C1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925165573 673780548 /nfs/dbraw/zinc/78/05/48/673780548.db2.gz TXAPGHIYBLYWBM-BZUAXINKSA-N 2 1 356.536 0.712 10 0 FCAEMP CCO[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+](C)C ZINC000926837849 673844408 /nfs/dbraw/zinc/84/44/08/673844408.db2.gz WKBVIVAJLXETHX-SJORKVTESA-N 2 1 355.527 0.375 10 0 FCAEMP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927633322 673871423 /nfs/dbraw/zinc/87/14/23/673871423.db2.gz NTSIOWDUYVVGAN-KRWDZBQOSA-N 2 1 355.527 0.422 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000927858454 673884644 /nfs/dbraw/zinc/88/46/44/673884644.db2.gz RGKOBZLBSOOMGO-HOTGVXAUSA-N 2 1 360.483 0.924 10 0 FCAEMP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000927858454 673884648 /nfs/dbraw/zinc/88/46/48/673884648.db2.gz RGKOBZLBSOOMGO-HOTGVXAUSA-N 2 1 360.483 0.924 10 0 FCAEMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929508614 673960118 /nfs/dbraw/zinc/96/01/18/673960118.db2.gz DELFAKOHZRKWEB-IMJJTQAJSA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000929508614 673960120 /nfs/dbraw/zinc/96/01/20/673960120.db2.gz DELFAKOHZRKWEB-IMJJTQAJSA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929508614 673960122 /nfs/dbraw/zinc/96/01/22/673960122.db2.gz DELFAKOHZRKWEB-IMJJTQAJSA-N 2 1 366.531 0.283 10 0 FCAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929508614 673960124 /nfs/dbraw/zinc/96/01/24/673960124.db2.gz DELFAKOHZRKWEB-IMJJTQAJSA-N 2 1 366.531 0.283 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CCO)C1)[NH+]1CCC[C@@H](CCO)C1 ZINC000929529764 673961678 /nfs/dbraw/zinc/96/16/78/673961678.db2.gz UVXMCUIQDWSJFJ-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[N@H+]1CCC[C@H](CCO)C1)[NH+]1CCC[C@@H](CCO)C1 ZINC000929529764 673961679 /nfs/dbraw/zinc/96/16/79/673961679.db2.gz UVXMCUIQDWSJFJ-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CCC[C@H](CCO)C1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000929529764 673961681 /nfs/dbraw/zinc/96/16/81/673961681.db2.gz UVXMCUIQDWSJFJ-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](CNC(=O)C[NH+]1CCC[C@H](CCO)C1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000929529764 673961683 /nfs/dbraw/zinc/96/16/83/673961683.db2.gz UVXMCUIQDWSJFJ-KURKYZTESA-N 2 1 355.523 0.680 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929693694 673972199 /nfs/dbraw/zinc/97/21/99/673972199.db2.gz CUWIOQACBSFJOE-JKSUJKDBSA-N 2 1 350.507 0.920 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000929947905 673987147 /nfs/dbraw/zinc/98/71/47/673987147.db2.gz JMNZLKKDPTYXGW-HNNXBMFYSA-N 2 1 356.511 0.260 10 0 FCAEMP C[C@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[NH+](C)C[C@@H]1CCC[C@H]1O ZINC000930097369 673997638 /nfs/dbraw/zinc/99/76/38/673997638.db2.gz PVKLJLDXMIJDMS-RSJGLCBASA-N 2 1 355.523 0.677 10 0 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QZQJPWNBTFARHQ-DNVCBOLYSA-N 2 1 368.522 0.184 10 0 FCAEMP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495115 1218426668 /nfs/dbraw/zinc/42/66/68/1218426668.db2.gz VVACONRKSOKESF-BZUAXINKSA-N 2 1 362.474 0.869 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCn1cnc3ccccc3c1=O)C2 ZINC000903492421 1218426733 /nfs/dbraw/zinc/42/67/33/1218426733.db2.gz CNELHDJCTURLGS-KSMMKXTCSA-N 2 1 356.426 0.609 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000903492422 1218427007 /nfs/dbraw/zinc/42/70/07/1218427007.db2.gz CNJIKSAYNWEREW-KHYOSLBOSA-N 3 1 366.506 0.188 10 0 FCAEMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H]1[NH3+] ZINC000903755731 1218517186 /nfs/dbraw/zinc/51/71/86/1218517186.db2.gz CCKNZMGSIPILEC-FGTMMUONSA-N 2 1 370.497 0.773 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H]1CC[NH3+] ZINC000903760292 1218519746 /nfs/dbraw/zinc/51/97/46/1218519746.db2.gz SAXJPQIPOFEDEF-KONPQCLYSA-N 2 1 362.518 0.905 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cnn1C ZINC000903892092 1218560874 /nfs/dbraw/zinc/56/08/74/1218560874.db2.gz PYTQPQZYFRZXPE-WMZOPIPTSA-N 2 1 363.506 0.559 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cnn1C ZINC000903892092 1218560879 /nfs/dbraw/zinc/56/08/79/1218560879.db2.gz PYTQPQZYFRZXPE-WMZOPIPTSA-N 2 1 363.506 0.559 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cnn1C ZINC000903899679 1218561866 /nfs/dbraw/zinc/56/18/66/1218561866.db2.gz WGLFZWUXSFTOIX-WMZOPIPTSA-N 2 1 362.522 0.084 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO[C@H]4CCOC4)C[C@H]32)CC[N@H+]1C ZINC001491315672 1220109219 /nfs/dbraw/zinc/10/92/19/1220109219.db2.gz JZPYRAFVAHAIIW-LOXVXLSQSA-N 2 1 365.518 0.959 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO[C@H]4CCOC4)C[C@H]32)CC[NH+]1C ZINC001491315672 1220109222 /nfs/dbraw/zinc/10/92/22/1220109222.db2.gz JZPYRAFVAHAIIW-LOXVXLSQSA-N 2 1 365.518 0.959 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO[C@H]4CCOC4)C[C@H]32)CC[NH+]1C ZINC001491315672 1220109225 /nfs/dbraw/zinc/10/92/25/1220109225.db2.gz JZPYRAFVAHAIIW-LOXVXLSQSA-N 2 1 365.518 0.959 10 0 FCAEMP C[C@]1(F)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001119544237 1221930926 /nfs/dbraw/zinc/93/09/26/1221930926.db2.gz IIMMGKDNCWZDKS-FCEWJHQRSA-N 2 1 366.481 0.764 10 0 FCAEMP C[C@]1(F)CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001119544237 1221930929 /nfs/dbraw/zinc/93/09/29/1221930929.db2.gz IIMMGKDNCWZDKS-FCEWJHQRSA-N 2 1 366.481 0.764 10 0 FCAEMP C/C(=C/C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001124003638 1222375208 /nfs/dbraw/zinc/37/52/08/1222375208.db2.gz RAFOBQGDHFCKNP-LKEDTQINSA-N 2 1 374.529 0.846 10 0 FCAEMP C/C(=C/C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001124003638 1222375215 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SQYLHRCSMXPZLH-GJZGRUSLSA-N 2 1 364.490 0.764 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](OCC)C1 ZINC001515238652 1265475094 /nfs/dbraw/zinc/47/50/94/1265475094.db2.gz LSYIXRMNGOEIFQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OCC)C1 ZINC001515238652 1265475099 /nfs/dbraw/zinc/47/50/99/1265475099.db2.gz LSYIXRMNGOEIFQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](OCC)C1 ZINC001515238652 1265475104 /nfs/dbraw/zinc/47/51/04/1265475104.db2.gz LSYIXRMNGOEIFQ-BRWVUGGUSA-N 2 1 368.522 0.402 10 0 FCAEMP C[C@H]1[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)[C@H]1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001328477842 1265558291 /nfs/dbraw/zinc/55/82/91/1265558291.db2.gz VGFJPAGNCQUIOU-ADHGMGHFSA-N 2 1 364.534 0.785 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)[C@H]1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001328477842 1265558297 /nfs/dbraw/zinc/55/82/97/1265558297.db2.gz VGFJPAGNCQUIOU-ADHGMGHFSA-N 2 1 364.534 0.785 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)[C@H]1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001328477842 1265558304 /nfs/dbraw/zinc/55/83/04/1265558304.db2.gz VGFJPAGNCQUIOU-ADHGMGHFSA-N 2 1 364.534 0.785 10 0 FCAEMP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001328971250 1265666483 /nfs/dbraw/zinc/66/64/83/1265666483.db2.gz FLAYAEYBVQQGSW-CVEARBPZSA-N 2 1 366.437 0.169 10 0 FCAEMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1c1ccc(F)cc1 ZINC001328971250 1265666495 /nfs/dbraw/zinc/66/64/95/1265666495.db2.gz FLAYAEYBVQQGSW-CVEARBPZSA-N 2 1 366.437 0.169 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059583 1265683579 /nfs/dbraw/zinc/68/35/79/1265683579.db2.gz GTSDCLRQUXGMCZ-VJUNAUMWSA-N 2 1 362.449 0.944 10 0 FCAEMP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001329059583 1265683589 /nfs/dbraw/zinc/68/35/89/1265683589.db2.gz 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0.402 10 0 FCAEMP C[NH+](C)CC1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCCC1 ZINC001335945305 1259912451 /nfs/dbraw/zinc/91/24/51/1259912451.db2.gz FROGHVQUZXSAIL-MAUKXSAKSA-N 2 1 350.507 0.635 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H]1c1ccc(F)cc1 ZINC001261632872 1260172794 /nfs/dbraw/zinc/17/27/94/1260172794.db2.gz PHYIBGOPAJNKQS-JTUHCLBISA-N 2 1 360.433 0.555 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H]1c1ccc(F)cc1 ZINC001261632872 1260172798 /nfs/dbraw/zinc/17/27/98/1260172798.db2.gz PHYIBGOPAJNKQS-JTUHCLBISA-N 2 1 360.433 0.555 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C[NH+]1CCN(C)CC1 ZINC001261657622 1260173810 /nfs/dbraw/zinc/17/38/10/1260173810.db2.gz HLIOXUHBRDBRBK-AEFFLSMTSA-N 2 1 367.538 0.111 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)CN1CC[NH+](C)CC1 ZINC001261657622 1260173816 /nfs/dbraw/zinc/17/38/16/1260173816.db2.gz HLIOXUHBRDBRBK-AEFFLSMTSA-N 2 1 367.538 0.111 10 0 FCAEMP C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)CN1CC[NH+](C)CC1 ZINC001261657622 1260173821 /nfs/dbraw/zinc/17/38/21/1260173821.db2.gz HLIOXUHBRDBRBK-AEFFLSMTSA-N 2 1 367.538 0.111 10 0 FCAEMP CN1CCN(c2ccc(CNCc3cn(C[C@H]4CCOC4)nn3)cn2)CC1 ZINC001261850720 1260197815 /nfs/dbraw/zinc/19/78/15/1260197815.db2.gz WMHDWSYJJKCYPP-QGZVFWFLSA-N 2 1 371.489 0.751 10 0 FCAEMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001261872843 1260205766 /nfs/dbraw/zinc/20/57/66/1260205766.db2.gz CIWZEJSAZFETFV-IYBDPMFKSA-N 2 1 366.506 0.014 10 0 FCAEMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001264490936 1260374068 /nfs/dbraw/zinc/37/40/68/1260374068.db2.gz HGUGNCOYGVFOAX-JLJPHGGASA-N 2 1 361.490 0.981 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001265608829 1260415952 /nfs/dbraw/zinc/41/59/52/1260415952.db2.gz DKTDNCBFPHYAKT-QLFBSQMISA-N 2 1 367.494 0.001 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](CC(=O)NCC3CCC3)CC2)CC[NH+]1C ZINC001284917801 1261795676 /nfs/dbraw/zinc/79/56/76/1261795676.db2.gz RABWKSFUUVDIBQ-CRAIPNDOSA-N 2 1 362.518 0.991 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2=CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC[N@H+]1C ZINC001288714539 1262031456 /nfs/dbraw/zinc/03/14/56/1262031456.db2.gz XXEXMZJQCKXLAX-KBAYOESNSA-N 2 1 362.518 0.943 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2=CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC[NH+]1C ZINC001288714539 1262031462 /nfs/dbraw/zinc/03/14/62/1262031462.db2.gz XXEXMZJQCKXLAX-KBAYOESNSA-N 2 1 362.518 0.943 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC2=CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC001288714539 1262031467 /nfs/dbraw/zinc/03/14/67/1262031467.db2.gz XXEXMZJQCKXLAX-KBAYOESNSA-N 2 1 362.518 0.943 10 0 FCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001289325380 1262173722 /nfs/dbraw/zinc/17/37/22/1262173722.db2.gz XPYLKXGIDUEXND-NVXWUHKLSA-N 2 1 368.522 0.401 10 0 FCAEMP 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C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC001295354683 1262763374 /nfs/dbraw/zinc/76/33/74/1262763374.db2.gz FRPCZKKZJDLBKM-CFHZMDMSSA-N 2 1 362.518 0.774 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC001295354683 1262763378 /nfs/dbraw/zinc/76/33/78/1262763378.db2.gz FRPCZKKZJDLBKM-CFHZMDMSSA-N 2 1 362.518 0.774 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC001295354683 1262763384 /nfs/dbraw/zinc/76/33/84/1262763384.db2.gz FRPCZKKZJDLBKM-CFHZMDMSSA-N 2 1 362.518 0.774 10 0 FCAEMP CCO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001479542896 1263246500 /nfs/dbraw/zinc/24/65/00/1263246500.db2.gz SOLOBHAQGYZUOD-GVDBMIGSSA-N 2 1 366.506 0.014 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001479547678 1263250869 /nfs/dbraw/zinc/25/08/69/1263250869.db2.gz YUGIXVQFCPFJAZ-BFYDXBDKSA-N 2 1 366.506 0.012 10 0 FCAEMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCOCCNC(C)=O)CC[C@@H]2C1)[NH+](C)C ZINC001479669463 1263327071 /nfs/dbraw/zinc/32/70/71/1263327071.db2.gz IJCLUPJOIMCSKC-FGTMMUONSA-N 2 1 368.522 0.260 10 0 FCAEMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001316645432 1263393802 /nfs/dbraw/zinc/39/38/02/1263393802.db2.gz UIWQJXGOVICYIA-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001316645432 1263393815 /nfs/dbraw/zinc/39/38/15/1263393815.db2.gz UIWQJXGOVICYIA-RCCFBDPRSA-N 2 1 358.486 0.801 10 0 FCAEMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001479724352 1263397544 /nfs/dbraw/zinc/39/75/44/1263397544.db2.gz LONNVNHEMRENKD-ZACQAIPSSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001479724352 1263397551 /nfs/dbraw/zinc/39/75/51/1263397551.db2.gz LONNVNHEMRENKD-ZACQAIPSSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001479724352 1263397560 /nfs/dbraw/zinc/39/75/60/1263397560.db2.gz LONNVNHEMRENKD-ZACQAIPSSA-N 2 1 368.522 0.545 10 0 FCAEMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001479724352 1263397571 /nfs/dbraw/zinc/39/75/71/1263397571.db2.gz LONNVNHEMRENKD-ZACQAIPSSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[C@H](C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)OC ZINC001479931559 1263417177 /nfs/dbraw/zinc/41/71/77/1263417177.db2.gz ZKARTTRMIMPLIC-FGTMMUONSA-N 2 1 354.539 0.876 10 0 FCAEMP CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001480020260 1263422073 /nfs/dbraw/zinc/42/20/73/1263422073.db2.gz HBUSOHIAEYAPDK-SOUVJXGZSA-N 2 1 367.494 0.047 10 0 FCAEMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001316690280 1263422691 /nfs/dbraw/zinc/42/26/91/1263422691.db2.gz YJIOAEXCCADSRI-HZPDHXFCSA-N 2 1 365.478 0.123 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001316694257 1263424802 /nfs/dbraw/zinc/42/48/02/1263424802.db2.gz POYKFVJIIZTAOV-RCCFBDPRSA-N 2 1 363.506 0.367 10 0 FCAEMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480391862 1263430398 /nfs/dbraw/zinc/43/03/98/1263430398.db2.gz TVOSIKNFMFEPPR-WJQMWINMSA-N 2 1 364.534 0.924 10 0 FCAEMP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480391862 1263430402 /nfs/dbraw/zinc/43/04/02/1263430402.db2.gz TVOSIKNFMFEPPR-WJQMWINMSA-N 2 1 364.534 0.924 10 0 FCAEMP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480391862 1263430410 /nfs/dbraw/zinc/43/04/10/1263430410.db2.gz TVOSIKNFMFEPPR-WJQMWINMSA-N 2 1 364.534 0.924 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1ncnn1C ZINC001480539816 1263433686 /nfs/dbraw/zinc/43/36/86/1263433686.db2.gz DULZQQSQBVZYFK-OIISXLGYSA-N 2 1 356.474 0.755 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1ncnn1C ZINC001480539816 1263433691 /nfs/dbraw/zinc/43/36/91/1263433691.db2.gz DULZQQSQBVZYFK-OIISXLGYSA-N 2 1 356.474 0.755 10 0 FCAEMP COc1coc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001480765768 1263435307 /nfs/dbraw/zinc/43/53/07/1263435307.db2.gz UJZKPYIUZRPIKH-UMVBOHGHSA-N 2 1 351.447 0.973 10 0 FCAEMP CCN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001484181864 1263457139 /nfs/dbraw/zinc/45/71/39/1263457139.db2.gz KSULLBDCKGGFFN-HUUCEWRRSA-N 2 1 354.495 0.060 10 0 FCAEMP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)nc1 ZINC001484181423 1263457687 /nfs/dbraw/zinc/45/76/87/1263457687.db2.gz AGICLIZIFCUCMA-HZPDHXFCSA-N 2 1 361.490 0.880 10 0 FCAEMP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)nc1 ZINC001484181423 1263457691 /nfs/dbraw/zinc/45/76/91/1263457691.db2.gz AGICLIZIFCUCMA-HZPDHXFCSA-N 2 1 361.490 0.880 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758662 1263463154 /nfs/dbraw/zinc/46/31/54/1263463154.db2.gz KHWANTPEJUHKCG-PMPSAXMXSA-N 2 1 364.490 0.304 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758662 1263463155 /nfs/dbraw/zinc/46/31/55/1263463155.db2.gz KHWANTPEJUHKCG-PMPSAXMXSA-N 2 1 364.490 0.304 10 0 FCAEMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001316758662 1263463159 /nfs/dbraw/zinc/46/31/59/1263463159.db2.gz KHWANTPEJUHKCG-PMPSAXMXSA-N 2 1 364.490 0.304 10 0 FCAEMP CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001484406571 1263470464 /nfs/dbraw/zinc/47/04/64/1263470464.db2.gz DSRNKJSRQJIYQE-VVLHAWIVSA-N 2 1 350.507 0.633 10 0 FCAEMP CCCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001484406571 1263470471 /nfs/dbraw/zinc/47/04/71/1263470471.db2.gz DSRNKJSRQJIYQE-VVLHAWIVSA-N 2 1 350.507 0.633 10 0 FCAEMP CCCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001484406571 1263470477 /nfs/dbraw/zinc/47/04/77/1263470477.db2.gz DSRNKJSRQJIYQE-VVLHAWIVSA-N 2 1 350.507 0.633 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001316787561 1263478983 /nfs/dbraw/zinc/47/89/83/1263478983.db2.gz SBOSEFHKXPKJOU-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001316787561 1263478984 /nfs/dbraw/zinc/47/89/84/1263478984.db2.gz SBOSEFHKXPKJOU-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001316787561 1263478985 /nfs/dbraw/zinc/47/89/85/1263478985.db2.gz SBOSEFHKXPKJOU-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001316787561 1263478986 /nfs/dbraw/zinc/47/89/86/1263478986.db2.gz SBOSEFHKXPKJOU-IKGGRYGDSA-N 2 1 366.506 0.299 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(CC)CC)C2)CC[N@H+]1C ZINC001484677594 1263481254 /nfs/dbraw/zinc/48/12/54/1263481254.db2.gz OAHSDVMOJWVYET-YESZJQIVSA-N 2 1 368.522 0.402 10 0 FCAEMP Cc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)o1 ZINC001484864811 1263492030 /nfs/dbraw/zinc/49/20/30/1263492030.db2.gz YWTVDXMKASJALQ-TZMCWYRMSA-N 2 1 351.451 0.473 10 0 FCAEMP Cc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)o1 ZINC001484864811 1263492037 /nfs/dbraw/zinc/49/20/37/1263492037.db2.gz YWTVDXMKASJALQ-TZMCWYRMSA-N 2 1 351.451 0.473 10 0 FCAEMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3nccn3C)CC2)CC[N@H+]1C ZINC001316958119 1263494373 /nfs/dbraw/zinc/49/43/73/1263494373.db2.gz MZBWLJZCZJZWET-IAGOWNOFSA-N 2 1 362.522 0.384 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001317057976 1263500912 /nfs/dbraw/zinc/50/09/12/1263500912.db2.gz PODHVLJNFBVUSR-XOKHGSTOSA-N 2 1 362.518 0.822 10 0 FCAEMP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317394211 1263510261 /nfs/dbraw/zinc/51/02/61/1263510261.db2.gz YRDIMQLFWXGMOI-KCPJHIHWSA-N 2 1 364.494 0.790 10 0 FCAEMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001485927078 1263519629 /nfs/dbraw/zinc/51/96/29/1263519629.db2.gz YIABEDVPGRFADB-UAGQMJEPSA-N 2 1 371.489 0.492 10 0 FCAEMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1nnnn1C ZINC001485927078 1263519638 /nfs/dbraw/zinc/51/96/38/1263519638.db2.gz YIABEDVPGRFADB-UAGQMJEPSA-N 2 1 371.489 0.492 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCNC(=O)C2CC2)CC3)CC[N@H+]1C ZINC001486143411 1263526637 /nfs/dbraw/zinc/52/66/37/1263526637.db2.gz BRSKHRJBVGPODU-PYQAKABTSA-N 2 1 362.518 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCNC(=O)C2CC2)CC3)CC[NH+]1C ZINC001486143411 1263526640 /nfs/dbraw/zinc/52/66/40/1263526640.db2.gz BRSKHRJBVGPODU-PYQAKABTSA-N 2 1 362.518 0.966 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCNC(=O)C2CC2)CC3)CC[NH+]1C ZINC001486143411 1263526648 /nfs/dbraw/zinc/52/66/48/1263526648.db2.gz BRSKHRJBVGPODU-PYQAKABTSA-N 2 1 362.518 0.966 10 0 FCAEMP CCN(C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001486338244 1263532399 /nfs/dbraw/zinc/53/23/99/1263532399.db2.gz VWFYTIPPUVCEGN-DJIMGWMZSA-N 2 1 368.522 0.089 10 0 FCAEMP CCN(C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001486338244 1263532409 /nfs/dbraw/zinc/53/24/09/1263532409.db2.gz VWFYTIPPUVCEGN-DJIMGWMZSA-N 2 1 368.522 0.089 10 0 FCAEMP CCN(C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001486338244 1263532414 /nfs/dbraw/zinc/53/24/14/1263532414.db2.gz VWFYTIPPUVCEGN-DJIMGWMZSA-N 2 1 368.522 0.089 10 0 FCAEMP CCN(C(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001486338244 1263532418 /nfs/dbraw/zinc/53/24/18/1263532418.db2.gz VWFYTIPPUVCEGN-DJIMGWMZSA-N 2 1 368.522 0.089 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ccnn2C)CC[N@@H+]1C ZINC001486337170 1263532753 /nfs/dbraw/zinc/53/27/53/1263532753.db2.gz HSPGKSYFUXRKEA-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2ccnn2C)CC[N@H+]1C ZINC001486337170 1263532757 /nfs/dbraw/zinc/53/27/57/1263532757.db2.gz HSPGKSYFUXRKEA-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001486337170 1263532763 /nfs/dbraw/zinc/53/27/63/1263532763.db2.gz HSPGKSYFUXRKEA-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001486337170 1263532769 /nfs/dbraw/zinc/53/27/69/1263532769.db2.gz HSPGKSYFUXRKEA-YESZJQIVSA-N 2 1 351.495 0.402 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH+](C)Cc2cn(C)nc2C)CC[N@H+]1C ZINC001486337959 1263532978 /nfs/dbraw/zinc/53/29/78/1263532978.db2.gz PPLYWJJEJXIZRV-OKZBNKHCSA-N 2 1 365.522 0.710 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2cn(C)nc2C)CC[NH+]1C ZINC001486337959 1263532984 /nfs/dbraw/zinc/53/29/84/1263532984.db2.gz PPLYWJJEJXIZRV-OKZBNKHCSA-N 2 1 365.522 0.710 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2cn(C)nc2C)CC[NH+]1C ZINC001486337959 1263532989 /nfs/dbraw/zinc/53/29/89/1263532989.db2.gz PPLYWJJEJXIZRV-OKZBNKHCSA-N 2 1 365.522 0.710 10 0 FCAEMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]CC(=O)N(C)C ZINC001318576510 1263588325 /nfs/dbraw/zinc/58/83/25/1263588325.db2.gz MOGFMKQXHFUAGI-KSZLIROESA-N 2 1 360.502 0.904 10 0 FCAEMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH2+]Cc1cnnn1C ZINC001491585837 1263612123 /nfs/dbraw/zinc/61/21/23/1263612123.db2.gz TWSSUDYWFMNGMD-OLMNPRSZSA-N 2 1 356.474 0.755 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001319188485 1263662255 /nfs/dbraw/zinc/66/22/55/1263662255.db2.gz GOYOPNMELHCKOW-VHDGCEQUSA-N 2 1 367.494 0.047 10 0 FCAEMP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001493107767 1263698645 /nfs/dbraw/zinc/69/86/45/1263698645.db2.gz ZLFNLACNUHXHJZ-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001493107767 1263698657 /nfs/dbraw/zinc/69/86/57/1263698657.db2.gz ZLFNLACNUHXHJZ-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001493107767 1263698667 /nfs/dbraw/zinc/69/86/67/1263698667.db2.gz ZLFNLACNUHXHJZ-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001493107767 1263698674 /nfs/dbraw/zinc/69/86/74/1263698674.db2.gz ZLFNLACNUHXHJZ-QLFBSQMISA-N 2 1 367.494 0.143 10 0 FCAEMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCN1C(=O)CCC1=O ZINC001493859556 1263744004 /nfs/dbraw/zinc/74/40/04/1263744004.db2.gz STYIPMVNKCWMIV-HZPDHXFCSA-N 2 1 366.506 0.692 10 0 FCAEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCN1C(=O)CCC1=O ZINC001493859556 1263744006 /nfs/dbraw/zinc/74/40/06/1263744006.db2.gz STYIPMVNKCWMIV-HZPDHXFCSA-N 2 1 366.506 0.692 10 0 FCAEMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCN1C(=O)CCC1=O ZINC001493859556 1263744011 /nfs/dbraw/zinc/74/40/11/1263744011.db2.gz STYIPMVNKCWMIV-HZPDHXFCSA-N 2 1 366.506 0.692 10 0 FCAEMP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001320049043 1263758877 /nfs/dbraw/zinc/75/88/77/1263758877.db2.gz BHZIDWSNAUAXAL-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001320049043 1263758888 /nfs/dbraw/zinc/75/88/88/1263758888.db2.gz BHZIDWSNAUAXAL-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001320049043 1263758898 /nfs/dbraw/zinc/75/88/98/1263758898.db2.gz BHZIDWSNAUAXAL-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001320049043 1263758906 /nfs/dbraw/zinc/75/89/06/1263758906.db2.gz BHZIDWSNAUAXAL-NXHRZFHOSA-N 2 1 360.502 0.857 10 0 FCAEMP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC001497683306 1263947520 /nfs/dbraw/zinc/94/75/20/1263947520.db2.gz NLOFYOWTGMETKF-KAGICYHLSA-N 2 1 368.485 0.923 10 0 FCAEMP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC001497683306 1263947526 /nfs/dbraw/zinc/94/75/26/1263947526.db2.gz NLOFYOWTGMETKF-KAGICYHLSA-N 2 1 368.485 0.923 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001497817090 1263953538 /nfs/dbraw/zinc/95/35/38/1263953538.db2.gz CGELYRRZIAJJLT-QLFBSQMISA-N 2 1 369.510 0.293 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001497817282 1263953569 /nfs/dbraw/zinc/95/35/69/1263953569.db2.gz COKXCXXJFLCCJX-HZSPNIEDSA-N 2 1 351.451 0.746 10 0 FCAEMP 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ZINC001570925093 1269922495 /nfs/dbraw/zinc/92/24/95/1269922495.db2.gz YSCOFDFLFMSEPN-HHARLNAUSA-N 2 1 350.507 0.393 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)Nc2ccon2)CC[N@H+]1C ZINC001571388832 1269931727 /nfs/dbraw/zinc/93/17/27/1269931727.db2.gz ZBBAYKRCGSADRM-MELADBBJSA-N 2 1 351.451 0.780 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc3n(n2)CCC3)CC[N@H+]1C ZINC001571580360 1269937764 /nfs/dbraw/zinc/93/77/64/1269937764.db2.gz OMXYKZWDNPFPLS-FGTMMUONSA-N 2 1 363.506 0.469 10 0 FCAEMP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H]1CCc2ncnn21 ZINC001571640030 1269947121 /nfs/dbraw/zinc/94/71/21/1269947121.db2.gz GNOWTIOPXYCVQF-OWCLPIDISA-N 2 1 364.494 0.170 10 0 FCAEMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]1CCc2ncnn21 ZINC001571640030 1269947129 /nfs/dbraw/zinc/94/71/29/1269947129.db2.gz GNOWTIOPXYCVQF-OWCLPIDISA-N 2 1 364.494 0.170 10 0 FCAEMP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]1CCc2ncnn21 ZINC001571640030 1269947136 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C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001354438220 867601531 /nfs/dbraw/zinc/60/15/31/867601531.db2.gz NCSXREFEHATVPN-SQWLQELKSA-N 2 1 354.495 0.058 10 0 FCAEMP COCCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001318402661 867658808 /nfs/dbraw/zinc/65/88/08/867658808.db2.gz MLHJVFNBSTTXRX-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP COCCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001318402661 867658814 /nfs/dbraw/zinc/65/88/14/867658814.db2.gz MLHJVFNBSTTXRX-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP COCCCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001318402661 867658820 /nfs/dbraw/zinc/65/88/20/867658820.db2.gz MLHJVFNBSTTXRX-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP COCCCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001318402661 867658822 /nfs/dbraw/zinc/65/88/22/867658822.db2.gz MLHJVFNBSTTXRX-OWCLPIDISA-N 2 1 354.495 0.012 10 0 FCAEMP 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JKHRBPBYJITAMI-QGZVFWFLSA-N 2 1 353.488 0.513 10 0 FCAEMP CN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000562816613 491191943 /nfs/dbraw/zinc/19/19/43/491191943.db2.gz ZSTPQBZIUTVWEI-UONOGXRCSA-N 2 1 363.428 0.701 10 0 FCAEMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000074167378 488388411 /nfs/dbraw/zinc/38/84/11/488388411.db2.gz RDGACAYNEAQQFR-ROUUACIJSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167378 488388414 /nfs/dbraw/zinc/38/84/14/488388414.db2.gz RDGACAYNEAQQFR-ROUUACIJSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000074167378 488388415 /nfs/dbraw/zinc/38/84/15/488388415.db2.gz RDGACAYNEAQQFR-ROUUACIJSA-N 2 1 369.554 0.670 10 0 FCAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000074167388 488388433 /nfs/dbraw/zinc/38/84/33/488388433.db2.gz RDGACAYNEAQQFR-QZTJIDSGSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000074167388 488388437 /nfs/dbraw/zinc/38/84/37/488388437.db2.gz RDGACAYNEAQQFR-QZTJIDSGSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000074167388 488388439 /nfs/dbraw/zinc/38/84/39/488388439.db2.gz RDGACAYNEAQQFR-QZTJIDSGSA-N 2 1 369.554 0.670 10 0 FCAEMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000193476511 488427188 /nfs/dbraw/zinc/42/71/88/488427188.db2.gz GLUUODPYONFSQX-GOSISDBHSA-N 2 1 369.554 0.550 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245593759 488465525 /nfs/dbraw/zinc/46/55/25/488465525.db2.gz BKCLMHOTESZANG-ZWKOTPCHSA-N 2 1 369.554 0.765 10 0 FCAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245593751 488465555 /nfs/dbraw/zinc/46/55/55/488465555.db2.gz BKCLMHOTESZANG-ROUUACIJSA-N 2 1 369.554 0.765 10 0 FCAEMP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCOCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000247084498 488481826 /nfs/dbraw/zinc/48/18/26/488481826.db2.gz PKTPLOIBMVUXMH-FPCVCCKLSA-N 2 1 354.495 0.175 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000247084498 488481827 /nfs/dbraw/zinc/48/18/27/488481827.db2.gz PKTPLOIBMVUXMH-FPCVCCKLSA-N 2 1 354.495 0.175 10 0 FCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCOCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000247084498 488481830 /nfs/dbraw/zinc/48/18/30/488481830.db2.gz PKTPLOIBMVUXMH-FPCVCCKLSA-N 2 1 354.495 0.175 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000248505358 488497632 /nfs/dbraw/zinc/49/76/32/488497632.db2.gz WDKUGWLBLMPEQT-GVDBMIGSSA-N 2 1 356.511 0.441 10 0 FCAEMP CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000248505358 488497633 /nfs/dbraw/zinc/49/76/33/488497633.db2.gz WDKUGWLBLMPEQT-GVDBMIGSSA-N 2 1 356.511 0.441 10 0 FCAEMP CC(C)CN1CCO[C@@H](CNC(=O)CN[C@H](CCO)c2ccco2)C1 ZINC000248976555 488504558 /nfs/dbraw/zinc/50/45/58/488504558.db2.gz 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/nfs/dbraw/zinc/98/94/99/492989499.db2.gz LUOHEFVAOGQJCI-BZUAXINKSA-N 2 1 350.507 0.918 10 0 FCAEMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658644075 492989501 /nfs/dbraw/zinc/98/95/01/492989501.db2.gz LUOHEFVAOGQJCI-BZUAXINKSA-N 2 1 350.507 0.918 10 0 FCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684651 492989721 /nfs/dbraw/zinc/98/97/21/492989721.db2.gz UCQXGRKXIQTGHB-WBVHZDCISA-N 2 1 358.486 0.868 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)c(N2CCCC2)[nH+]1 ZINC000652687991 492991336 /nfs/dbraw/zinc/99/13/36/492991336.db2.gz SGTPIZKUXFUPNI-UHFFFAOYSA-N 2 1 359.474 0.852 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC[N@H+]1C ZINC000632435684 492997112 /nfs/dbraw/zinc/99/71/12/492997112.db2.gz KVONGHRLBXHOBL-SIRPWMCASA-N 2 1 368.522 0.040 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)CC[NH+]1C ZINC000632435684 492997117 /nfs/dbraw/zinc/99/71/17/492997117.db2.gz KVONGHRLBXHOBL-SIRPWMCASA-N 2 1 368.522 0.040 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)CC[NH+]1C ZINC000632435684 492997123 /nfs/dbraw/zinc/99/71/23/492997123.db2.gz KVONGHRLBXHOBL-SIRPWMCASA-N 2 1 368.522 0.040 10 0 FCAEMP [NH3+]CC1(CCNC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000652710815 492997545 /nfs/dbraw/zinc/99/75/45/492997545.db2.gz BNDFFBLKTULOJY-HDICACEKSA-N 2 1 370.497 0.822 10 0 FCAEMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)CC2)C1 ZINC000646002844 492999065 /nfs/dbraw/zinc/99/90/65/492999065.db2.gz HFKGFMLUCCRTGR-OGNFBWPZSA-N 2 1 364.534 0.757 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000652720505 493002417 /nfs/dbraw/zinc/00/24/17/493002417.db2.gz GHWUUZZKLAGXQI-ROUUACIJSA-N 2 1 358.486 0.965 10 0 FCAEMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000632478973 493006352 /nfs/dbraw/zinc/00/63/52/493006352.db2.gz VKJSCXCKDXBXOS-MRXNPFEDSA-N 2 1 369.535 0.776 10 0 FCAEMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000626795280 493020618 /nfs/dbraw/zinc/02/06/18/493020618.db2.gz RDWZGYIBDMRWAO-HOTGVXAUSA-N 2 1 358.442 0.850 10 0 FCAEMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626800831 493021607 /nfs/dbraw/zinc/02/16/07/493021607.db2.gz PTLWKNMMRIKULY-CQSZACIVSA-N 2 1 360.458 0.955 10 0 FCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817965 493026200 /nfs/dbraw/zinc/02/62/00/493026200.db2.gz WLTJGEDAUMJPDL-CZUORRHYSA-N 2 1 360.458 0.906 10 0 FCAEMP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000632591577 493037938 /nfs/dbraw/zinc/03/79/38/493037938.db2.gz BEBWSZBACBRNDQ-SFHVURJKSA-N 2 1 372.579 0.950 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000658751980 493041438 /nfs/dbraw/zinc/04/14/38/493041438.db2.gz SVHYGBDEXGVYLE-DLBZAZTESA-N 2 1 368.522 0.497 10 0 FCAEMP C[NH+](C)Cc1cc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)ccc1Cl ZINC000626884719 493049738 /nfs/dbraw/zinc/04/97/38/493049738.db2.gz PBUWYGDLPDVGIQ-UHFFFAOYSA-N 2 1 368.865 0.964 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658801768 493059708 /nfs/dbraw/zinc/05/97/08/493059708.db2.gz JRXZPQKKOXKMDE-SJORKVTESA-N 2 1 350.507 0.729 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000658802464 493060285 /nfs/dbraw/zinc/06/02/85/493060285.db2.gz KIJQWRHKICMKDT-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCOC ZINC000658802464 493060290 /nfs/dbraw/zinc/06/02/90/493060290.db2.gz KIJQWRHKICMKDT-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCOC ZINC000658802464 493060295 /nfs/dbraw/zinc/06/02/95/493060295.db2.gz KIJQWRHKICMKDT-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000658802464 493060298 /nfs/dbraw/zinc/06/02/98/493060298.db2.gz KIJQWRHKICMKDT-IAGOWNOFSA-N 2 1 368.522 0.498 10 0 FCAEMP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803190 493061883 /nfs/dbraw/zinc/06/18/83/493061883.db2.gz NVKLHIFKELBXAC-HZPDHXFCSA-N 2 1 354.495 0.108 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658806928 493062963 /nfs/dbraw/zinc/06/29/63/493062963.db2.gz LDAHZXGOIJIIFJ-INIZCTEOSA-N 2 1 359.474 0.591 10 0 FCAEMP CCN(C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658806928 493062965 /nfs/dbraw/zinc/06/29/65/493062965.db2.gz LDAHZXGOIJIIFJ-INIZCTEOSA-N 2 1 359.474 0.591 10 0 FCAEMP CC(C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CC[NH+](C)CC1 ZINC000626930142 493065884 /nfs/dbraw/zinc/06/58/84/493065884.db2.gz XMDSGCRCQXURIO-YTQUADARSA-N 2 1 351.539 0.899 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000626936025 493067748 /nfs/dbraw/zinc/06/77/48/493067748.db2.gz CMCZAYXKTRLOJX-KRWDZBQOSA-N 2 1 363.506 0.732 10 0 FCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626966456 493071200 /nfs/dbraw/zinc/07/12/00/493071200.db2.gz VJXBPMIKCHJAEB-OAHLLOKOSA-N 2 1 354.499 0.069 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658825693 493072436 /nfs/dbraw/zinc/07/24/36/493072436.db2.gz MGGCKWLMCKNEOZ-QGZVFWFLSA-N 2 1 366.506 0.252 10 0 FCAEMP CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658825693 493072439 /nfs/dbraw/zinc/07/24/39/493072439.db2.gz MGGCKWLMCKNEOZ-QGZVFWFLSA-N 2 1 366.506 0.252 10 0 FCAEMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000626979441 493074046 /nfs/dbraw/zinc/07/40/46/493074046.db2.gz BOYROBBLDKSYGJ-HZPDHXFCSA-N 2 1 356.511 0.931 10 0 FCAEMP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000627011577 493080194 /nfs/dbraw/zinc/08/01/94/493080194.db2.gz DSNADCFUJNISBM-QGZVFWFLSA-N 2 1 362.474 0.560 10 0 FCAEMP C[NH2+]CCOCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000627171565 493099684 /nfs/dbraw/zinc/09/96/84/493099684.db2.gz YZNRJYRLXCFGLE-KRWDZBQOSA-N 2 1 350.463 0.288 10 0 FCAEMP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000627214354 493109010 /nfs/dbraw/zinc/10/90/10/493109010.db2.gz JYESLYNUWZLNOP-ZWKOTPCHSA-N 2 1 364.490 0.534 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000658926597 493112054 /nfs/dbraw/zinc/11/20/54/493112054.db2.gz DKWSIUGYBCLKAP-QFBILLFUSA-N 2 1 366.506 0.110 10 0 FCAEMP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)n2)CC1 ZINC000627262237 493122994 /nfs/dbraw/zinc/12/29/94/493122994.db2.gz JZQGBHRXIGNYBH-HZPDHXFCSA-N 2 1 359.474 0.115 10 0 FCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633099033 493124153 /nfs/dbraw/zinc/12/41/53/493124153.db2.gz PGJJWBAZGFMTMR-MRXNPFEDSA-N 2 1 368.522 0.533 10 0 FCAEMP C[NH+]1C[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5C[N@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000646915799 493125307 /nfs/dbraw/zinc/12/53/07/493125307.db2.gz VHUYCLMIOFMHOL-GEEKYZPCSA-N 2 1 372.469 0.832 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)o2)C1 ZINC000646915799 493125312 /nfs/dbraw/zinc/12/53/12/493125312.db2.gz VHUYCLMIOFMHOL-GEEKYZPCSA-N 2 1 372.469 0.832 10 0 FCAEMP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)o2)C1 ZINC000646915799 493125315 /nfs/dbraw/zinc/12/53/15/493125315.db2.gz VHUYCLMIOFMHOL-GEEKYZPCSA-N 2 1 372.469 0.832 10 0 FCAEMP [NH3+]C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C(F)(F)F ZINC000659025262 493127226 /nfs/dbraw/zinc/12/72/26/493127226.db2.gz PMKFYYQOQHUAHA-UONOGXRCSA-N 2 1 360.380 0.942 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+](C)CCOC)C2)CC[N@H+]1C ZINC000633105868 493128799 /nfs/dbraw/zinc/12/87/99/493128799.db2.gz JQNAJJCSHYMXOD-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)CC[NH+]1C ZINC000633105868 493128801 /nfs/dbraw/zinc/12/88/01/493128801.db2.gz JQNAJJCSHYMXOD-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)CC[NH+]1C ZINC000633105868 493128807 /nfs/dbraw/zinc/12/88/07/493128807.db2.gz JQNAJJCSHYMXOD-HRCADAONSA-N 2 1 354.495 0.012 10 0 FCAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659071090 493138547 /nfs/dbraw/zinc/13/85/47/493138547.db2.gz FMSQPYCKCYLXQR-KBXCAEBGSA-N 2 1 372.469 0.887 10 0 FCAEMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659072275 493140008 /nfs/dbraw/zinc/14/00/08/493140008.db2.gz DPEWELAPRXVGBQ-QGZVFWFLSA-N 2 1 360.458 0.840 10 0 FCAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627311915 493145766 /nfs/dbraw/zinc/14/57/66/493145766.db2.gz KOEZZLDZWLDZOK-WBVHZDCISA-N 2 1 362.474 0.420 10 0 FCAEMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311573 493146018 /nfs/dbraw/zinc/14/60/18/493146018.db2.gz CALOIFNAUDXOPH-QGWWYQLQSA-N 2 1 350.507 0.681 10 0 FCAEMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000627326280 493154573 /nfs/dbraw/zinc/15/45/73/493154573.db2.gz LDMABBDAPOGNEF-QGZVFWFLSA-N 2 1 374.485 0.391 10 0 FCAEMP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000627357681 493174621 /nfs/dbraw/zinc/17/46/21/493174621.db2.gz MVBDTIBDYIGFSM-UONOGXRCSA-N 2 1 350.488 0.868 10 0 FCAEMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627357334 493175007 /nfs/dbraw/zinc/17/50/07/493175007.db2.gz CXNHXNQIDNUJQX-GOSISDBHSA-N 2 1 370.497 0.952 10 0 FCAEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659456284 493183741 /nfs/dbraw/zinc/18/37/41/493183741.db2.gz PNNRZGANBFTCIQ-ARFHVFGLSA-N 2 1 364.469 0.673 10 0 FCAEMP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(N2CCCC2)[nH+]1 ZINC000627376314 493186663 /nfs/dbraw/zinc/18/66/63/493186663.db2.gz YBSJQJFXPLFFPO-CJNGLKHVSA-N 2 1 359.474 0.863 10 0 FCAEMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000627375863 493187220 /nfs/dbraw/zinc/18/72/20/493187220.db2.gz INBUUUHQFURTMW-JKSUJKDBSA-N 2 1 359.474 0.863 10 0 FCAEMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000659588577 493217447 /nfs/dbraw/zinc/21/74/47/493217447.db2.gz FXHWFKHHXUVADQ-NBMJBFSESA-N 2 1 374.485 0.601 10 0 FCAEMP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000666924430 493237956 /nfs/dbraw/zinc/23/79/56/493237956.db2.gz FPJICKBQUMRFFW-HOTGVXAUSA-N 2 1 355.527 0.862 10 0 FCAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000659683259 493249822 /nfs/dbraw/zinc/24/98/22/493249822.db2.gz WVYYJFKGXGWICK-QCTRZYONSA-N 2 1 366.506 0.108 10 0 FCAEMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC[C@H]1F ZINC000659688906 493254382 /nfs/dbraw/zinc/25/43/82/493254382.db2.gz ODZBLQDHLJLDRA-ARFHVFGLSA-N 2 1 354.470 0.797 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000659689831 493255141 /nfs/dbraw/zinc/25/51/41/493255141.db2.gz AVZWGDRXABXQJH-WHENESEISA-N 2 1 362.499 0.479 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000659689831 493255143 /nfs/dbraw/zinc/25/51/43/493255143.db2.gz AVZWGDRXABXQJH-WHENESEISA-N 2 1 362.499 0.479 10 0 FCAEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659695451 493257897 /nfs/dbraw/zinc/25/78/97/493257897.db2.gz XRQHVNOLTAPKCF-UWWQBHOKSA-N 2 1 362.518 0.824 10 0 FCAEMP C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659697119 493258656 /nfs/dbraw/zinc/25/86/56/493258656.db2.gz OVLKPADTBANIJY-XTIMDLJNSA-N 2 1 370.497 0.963 10 0 FCAEMP CC[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[N@H+]1CCc2ccccc2C1 ZINC000659696973 493258839 /nfs/dbraw/zinc/25/88/39/493258839.db2.gz FBEIDXAVUPAQIB-BPVAQJAMSA-N 2 1 370.497 0.889 10 0 FCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682049519 493265659 /nfs/dbraw/zinc/26/56/59/493265659.db2.gz NKHLEOVDOHUWAH-CQSZACIVSA-N 2 1 352.483 0.754 10 0 FCAEMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659714117 493268440 /nfs/dbraw/zinc/26/84/40/493268440.db2.gz VCKGXFDKPKGHIM-HZPDHXFCSA-N 2 1 366.506 0.250 10 0 FCAEMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659723099 493272440 /nfs/dbraw/zinc/27/24/40/493272440.db2.gz OVVMVRXDFVGJMI-BZUAXINKSA-N 2 1 366.506 0.380 10 0 FCAEMP C[C@@H]1CN(CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000660070804 493321318 /nfs/dbraw/zinc/32/13/18/493321318.db2.gz DOXIVFOTBHPMIP-QZTJIDSGSA-N 2 1 366.550 0.972 10 0 FCAEMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000660090047 493323138 /nfs/dbraw/zinc/32/31/38/493323138.db2.gz GVSZTWFCMUWGQS-QGZVFWFLSA-N 2 1 367.515 0.968 10 0 FCAEMP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668511945 493368067 /nfs/dbraw/zinc/36/80/67/493368067.db2.gz NOIUMYWRCXFXPF-QGZVFWFLSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000668511945 493368069 /nfs/dbraw/zinc/36/80/69/493368069.db2.gz NOIUMYWRCXFXPF-QGZVFWFLSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668511945 493368071 /nfs/dbraw/zinc/36/80/71/493368071.db2.gz NOIUMYWRCXFXPF-QGZVFWFLSA-N 2 1 367.538 0.073 10 0 FCAEMP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000668511958 493368143 /nfs/dbraw/zinc/36/81/43/493368143.db2.gz LDYSMZNTUWEPET-MRXNPFEDSA-N 2 1 354.495 0.158 10 0 FCAEMP COCC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOCC1 ZINC000660632058 493368376 /nfs/dbraw/zinc/36/83/76/493368376.db2.gz SQIPWJDGRKYUTJ-INIZCTEOSA-N 2 1 357.495 0.245 10 0 FCAEMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673863594 493368620 /nfs/dbraw/zinc/36/86/20/493368620.db2.gz IASOUYPJABAOOI-AWEZNQCLSA-N 2 1 371.445 0.976 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660700457 493373281 /nfs/dbraw/zinc/37/32/81/493373281.db2.gz KQNIGKJEKPVMOP-IRXDYDNUSA-N 2 1 354.495 0.650 10 0 FCAEMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000668544855 493373462 /nfs/dbraw/zinc/37/34/62/493373462.db2.gz LKADDSZOFQUSBW-IXDOHACOSA-N 2 1 366.506 0.299 10 0 FCAEMP C[NH+](C)CCC[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000668784282 493409867 /nfs/dbraw/zinc/40/98/67/493409867.db2.gz AMVJRYUAMAVWLT-SFHVURJKSA-N 2 1 362.522 0.771 10 0 FCAEMP CC(C[NH+]1CC[C@@H](Cn2ccnn2)C1)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661145607 493411640 /nfs/dbraw/zinc/41/16/40/493411640.db2.gz MQUXMAHCLWTLGS-QZTJIDSGSA-N 2 1 358.494 0.850 10 0 FCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000668795279 493412268 /nfs/dbraw/zinc/41/22/68/493412268.db2.gz YDXMIVZUMQBFTE-IAGOWNOFSA-N 2 1 366.506 0.035 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668795279 493412271 /nfs/dbraw/zinc/41/22/71/493412271.db2.gz YDXMIVZUMQBFTE-IAGOWNOFSA-N 2 1 366.506 0.035 10 0 FCAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668795279 493412272 /nfs/dbraw/zinc/41/22/72/493412272.db2.gz YDXMIVZUMQBFTE-IAGOWNOFSA-N 2 1 366.506 0.035 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163906 493414117 /nfs/dbraw/zinc/41/41/17/493414117.db2.gz GOVBJGRBDUGHFP-IEBWSBKVSA-N 2 1 353.507 0.960 10 0 FCAEMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@@](C)(C3CC3)C2)C1 ZINC000661163906 493414120 /nfs/dbraw/zinc/41/41/20/493414120.db2.gz GOVBJGRBDUGHFP-IEBWSBKVSA-N 2 1 353.507 0.960 10 0 FCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000685310629 493474452 /nfs/dbraw/zinc/47/44/52/493474452.db2.gz XYGVWEVIWCDFGC-SRABZTEZSA-N 2 1 350.507 0.774 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000685310629 493474453 /nfs/dbraw/zinc/47/44/53/493474453.db2.gz XYGVWEVIWCDFGC-SRABZTEZSA-N 2 1 350.507 0.774 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[C@H](C)C1 ZINC000685310629 493474454 /nfs/dbraw/zinc/47/44/54/493474454.db2.gz XYGVWEVIWCDFGC-SRABZTEZSA-N 2 1 350.507 0.774 10 0 FCAEMP O=C(CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCc2ccccc21 ZINC000662261566 493500702 /nfs/dbraw/zinc/50/07/02/493500702.db2.gz ZXUKVQSTXOLPOS-GOSISDBHSA-N 2 1 370.497 0.714 10 0 FCAEMP CN(CCCNC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662298395 493505014 /nfs/dbraw/zinc/50/50/14/493505014.db2.gz VXQVXMDUXWXHQR-INIZCTEOSA-N 2 1 374.551 0.096 10 0 FCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662437161 493515198 /nfs/dbraw/zinc/51/51/98/493515198.db2.gz NAJKNZZDTXYKLN-DZGCQCFKSA-N 2 1 362.478 0.159 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096736 493524325 /nfs/dbraw/zinc/52/43/25/493524325.db2.gz PBDWGLFQASYJOD-MRXNPFEDSA-N 2 1 372.429 0.433 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096735 493524646 /nfs/dbraw/zinc/52/46/46/493524646.db2.gz PBDWGLFQASYJOD-INIZCTEOSA-N 2 1 372.429 0.433 10 0 FCAEMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662705748 493533181 /nfs/dbraw/zinc/53/31/81/493533181.db2.gz SSLCERTWXFLEPO-USXIJHARSA-N 2 1 374.489 0.403 10 0 FCAEMP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C[NH+]1CCOCC1 ZINC000662701805 493533470 /nfs/dbraw/zinc/53/34/70/493533470.db2.gz SKTOEIXCBDXAFP-CABCVRRESA-N 2 1 350.467 0.291 10 0 FCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662711692 493533798 /nfs/dbraw/zinc/53/37/98/493533798.db2.gz MPJYDLNDKMAJIR-CABCVRRESA-N 2 1 350.467 0.433 10 0 FCAEMP CCC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000662826334 493544983 /nfs/dbraw/zinc/54/49/83/493544983.db2.gz ZELPTTCTZDUHKO-INIZCTEOSA-N 2 1 364.494 0.776 10 0 FCAEMP CCC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000662826334 493544985 /nfs/dbraw/zinc/54/49/85/493544985.db2.gz ZELPTTCTZDUHKO-INIZCTEOSA-N 2 1 364.494 0.776 10 0 FCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662940700 493557294 /nfs/dbraw/zinc/55/72/94/493557294.db2.gz OOEZAUNMECFYBF-SFHVURJKSA-N 2 1 360.502 0.674 10 0 FCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662940700 493557296 /nfs/dbraw/zinc/55/72/96/493557296.db2.gz OOEZAUNMECFYBF-SFHVURJKSA-N 2 1 360.502 0.674 10 0 FCAEMP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)c1 ZINC000670622795 493581173 /nfs/dbraw/zinc/58/11/73/493581173.db2.gz MTZOLMNWVAUTKP-NVXWUHKLSA-N 2 1 362.474 0.625 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000670991018 493621514 /nfs/dbraw/zinc/62/15/14/493621514.db2.gz GWRYCMLNWBPKDS-GOSISDBHSA-N 2 1 358.486 0.761 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000670991018 493621516 /nfs/dbraw/zinc/62/15/16/493621516.db2.gz GWRYCMLNWBPKDS-GOSISDBHSA-N 2 1 358.486 0.761 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000670991018 493621519 /nfs/dbraw/zinc/62/15/19/493621519.db2.gz GWRYCMLNWBPKDS-GOSISDBHSA-N 2 1 358.486 0.761 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000664120023 493637821 /nfs/dbraw/zinc/63/78/21/493637821.db2.gz WMRXPRFIHVNNHW-INIZCTEOSA-N 3 1 357.543 0.668 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000664120023 493637823 /nfs/dbraw/zinc/63/78/23/493637823.db2.gz WMRXPRFIHVNNHW-INIZCTEOSA-N 3 1 357.543 0.668 10 0 FCAEMP CCN(C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664176772 493641582 /nfs/dbraw/zinc/64/15/82/493641582.db2.gz WZRKRCLKQXTWNA-CVEARBPZSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](CC)C1 ZINC000664176772 493641585 /nfs/dbraw/zinc/64/15/85/493641585.db2.gz WZRKRCLKQXTWNA-CVEARBPZSA-N 2 1 353.511 0.700 10 0 FCAEMP CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](CC)C1 ZINC000664176772 493641587 /nfs/dbraw/zinc/64/15/87/493641587.db2.gz WZRKRCLKQXTWNA-CVEARBPZSA-N 2 1 353.511 0.700 10 0 FCAEMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000664173436 493641759 /nfs/dbraw/zinc/64/17/59/493641759.db2.gz FMUYGOBQIASGRT-OAHLLOKOSA-N 2 1 355.527 0.993 10 0 FCAEMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000664173436 493641762 /nfs/dbraw/zinc/64/17/62/493641762.db2.gz FMUYGOBQIASGRT-OAHLLOKOSA-N 2 1 355.527 0.993 10 0 FCAEMP CCC[NH+](C)CC(C)(C)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000664173436 493641765 /nfs/dbraw/zinc/64/17/65/493641765.db2.gz FMUYGOBQIASGRT-OAHLLOKOSA-N 2 1 355.527 0.993 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000664182088 493642613 /nfs/dbraw/zinc/64/26/13/493642613.db2.gz MOFIPWFFPZBGRW-BRWVUGGUSA-N 2 1 366.506 0.650 10 0 FCAEMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664182088 493642618 /nfs/dbraw/zinc/64/26/18/493642618.db2.gz MOFIPWFFPZBGRW-BRWVUGGUSA-N 2 1 366.506 0.650 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000671149775 493643905 /nfs/dbraw/zinc/64/39/05/493643905.db2.gz WHHIXZJSHGWCNI-HNNXBMFYSA-N 2 1 368.547 0.675 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671376879 493662225 /nfs/dbraw/zinc/66/22/25/493662225.db2.gz GQWFYKJYLNFLNQ-ZBFHGGJFSA-N 2 1 354.495 0.060 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671376879 493662227 /nfs/dbraw/zinc/66/22/27/493662227.db2.gz GQWFYKJYLNFLNQ-ZBFHGGJFSA-N 2 1 354.495 0.060 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000665764030 493735847 /nfs/dbraw/zinc/73/58/47/493735847.db2.gz RWZXMDVSPKRRIP-YESZJQIVSA-N 2 1 355.527 0.421 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000665764030 493735849 /nfs/dbraw/zinc/73/58/49/493735849.db2.gz RWZXMDVSPKRRIP-YESZJQIVSA-N 2 1 355.527 0.421 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000665763684 493735897 /nfs/dbraw/zinc/73/58/97/493735897.db2.gz IWZMWNBZJMNJNZ-KRWDZBQOSA-N 3 1 369.554 0.765 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000665763684 493735899 /nfs/dbraw/zinc/73/58/99/493735899.db2.gz IWZMWNBZJMNJNZ-KRWDZBQOSA-N 3 1 369.554 0.765 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000665763671 493736049 /nfs/dbraw/zinc/73/60/49/493736049.db2.gz IPESPKHULLOQIL-HOTGVXAUSA-N 2 1 370.542 0.704 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000665763671 493736051 /nfs/dbraw/zinc/73/60/51/493736051.db2.gz IPESPKHULLOQIL-HOTGVXAUSA-N 2 1 370.542 0.704 10 0 FCAEMP C[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672103255 493736140 /nfs/dbraw/zinc/73/61/40/493736140.db2.gz CLJNKVGLOGBVIC-LBDPXKHJSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672103255 493736141 /nfs/dbraw/zinc/73/61/41/493736141.db2.gz CLJNKVGLOGBVIC-LBDPXKHJSA-N 2 1 354.495 0.058 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000665764131 493736451 /nfs/dbraw/zinc/73/64/51/493736451.db2.gz VVIBYFOQWPDLOQ-BSDSXHPESA-N 2 1 370.538 0.830 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000665764131 493736452 /nfs/dbraw/zinc/73/64/52/493736452.db2.gz VVIBYFOQWPDLOQ-BSDSXHPESA-N 2 1 370.538 0.830 10 0 FCAEMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000672118174 493736970 /nfs/dbraw/zinc/73/69/70/493736970.db2.gz QNQITMVNCIDMQI-ROUUACIJSA-N 2 1 358.486 0.835 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000672118174 493736972 /nfs/dbraw/zinc/73/69/72/493736972.db2.gz QNQITMVNCIDMQI-ROUUACIJSA-N 2 1 358.486 0.835 10 0 FCAEMP C[NH+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000672118174 493736974 /nfs/dbraw/zinc/73/69/74/493736974.db2.gz QNQITMVNCIDMQI-ROUUACIJSA-N 2 1 358.486 0.835 10 0 FCAEMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000672118173 493737189 /nfs/dbraw/zinc/73/71/89/493737189.db2.gz QNQITMVNCIDMQI-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000672118173 493737191 /nfs/dbraw/zinc/73/71/91/493737191.db2.gz QNQITMVNCIDMQI-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP C[NH+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000672118173 493737192 /nfs/dbraw/zinc/73/71/92/493737192.db2.gz QNQITMVNCIDMQI-QZTJIDSGSA-N 2 1 358.486 0.835 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000672165352 493739333 /nfs/dbraw/zinc/73/93/33/493739333.db2.gz IZFBSOMTSLOOSB-JKSUJKDBSA-N 2 1 354.495 0.202 10 0 FCAEMP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1CCO ZINC000187651950 533913630 /nfs/dbraw/zinc/91/36/30/533913630.db2.gz GYFZIKSJVRYTIG-SFHVURJKSA-N 2 1 374.529 0.897 10 0 FCAEMP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1CCO ZINC000187651950 533913643 /nfs/dbraw/zinc/91/36/43/533913643.db2.gz GYFZIKSJVRYTIG-SFHVURJKSA-N 2 1 374.529 0.897 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414883473 536500109 /nfs/dbraw/zinc/50/01/09/536500109.db2.gz UZYOFDGXZOPBKL-UHFFFAOYSA-N 2 1 366.437 0.494 10 0 FCAEMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000275364546 527325292 /nfs/dbraw/zinc/32/52/92/527325292.db2.gz BLNOHGFQMOJEGD-ZWKOTPCHSA-N 2 1 371.489 0.972 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@@H]2CCC(=O)N2)C(C)C)C1 ZINC000412083273 528017260 /nfs/dbraw/zinc/01/72/60/528017260.db2.gz PSMQXIOYWISNLM-DLBZAZTESA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)C1 ZINC000412083273 528017264 /nfs/dbraw/zinc/01/72/64/528017264.db2.gz PSMQXIOYWISNLM-DLBZAZTESA-N 2 1 368.522 0.448 10 0 FCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)C1 ZINC000412083273 528017271 /nfs/dbraw/zinc/01/72/71/528017271.db2.gz PSMQXIOYWISNLM-DLBZAZTESA-N 2 1 368.522 0.448 10 0 FCAEMP CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000189420240 529059878 /nfs/dbraw/zinc/05/98/78/529059878.db2.gz KFRQAAMEBAGNLY-OAHLLOKOSA-N 2 1 357.524 0.824 10 0 FCAEMP CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000189420240 529059882 /nfs/dbraw/zinc/05/98/82/529059882.db2.gz KFRQAAMEBAGNLY-OAHLLOKOSA-N 2 1 357.524 0.824 10 0 FCAEMP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000458719871 546929218 /nfs/dbraw/zinc/92/92/18/546929218.db2.gz DUKRHHWIYHNQPT-MRXNPFEDSA-N 2 1 355.527 0.158 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1(C)C ZINC000458719871 546929223 /nfs/dbraw/zinc/92/92/23/546929223.db2.gz DUKRHHWIYHNQPT-MRXNPFEDSA-N 2 1 355.527 0.158 10 0 FCAEMP C[NH+]1CCN(CCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1(C)C ZINC000458719871 546929228 /nfs/dbraw/zinc/92/92/28/546929228.db2.gz DUKRHHWIYHNQPT-MRXNPFEDSA-N 2 1 355.527 0.158 10 0 FCAEMP C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551498565 547150062 /nfs/dbraw/zinc/15/00/62/547150062.db2.gz BXTLNDFKJMXQSO-BHUNQDJPSA-N 2 1 350.507 0.966 10 0 FCAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cn2)CC1 ZINC000551615701 547156258 /nfs/dbraw/zinc/15/62/58/547156258.db2.gz SMTCAAZHJIBNIO-HZPDHXFCSA-N 2 1 351.495 0.476 10 0 FCAEMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000552775004 547232055 /nfs/dbraw/zinc/23/20/55/547232055.db2.gz VTVMCMSEEISENL-GIOUXUJVSA-N 2 1 350.507 0.822 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000552934868 547240492 /nfs/dbraw/zinc/24/04/92/547240492.db2.gz QVOBWMPRGJICDL-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552934868 547240495 /nfs/dbraw/zinc/24/04/95/547240495.db2.gz QVOBWMPRGJICDL-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000552934868 547240497 /nfs/dbraw/zinc/24/04/97/547240497.db2.gz QVOBWMPRGJICDL-ARFHVFGLSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000552937729 547240589 /nfs/dbraw/zinc/24/05/89/547240589.db2.gz MJMDUJBEGGQNNX-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000552937729 547240590 /nfs/dbraw/zinc/24/05/90/547240590.db2.gz MJMDUJBEGGQNNX-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@H]1C ZINC000552937729 547240593 /nfs/dbraw/zinc/24/05/93/547240593.db2.gz MJMDUJBEGGQNNX-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@H]1C ZINC000552937729 547240596 /nfs/dbraw/zinc/24/05/96/547240596.db2.gz MJMDUJBEGGQNNX-PMPSAXMXSA-N 2 1 354.495 0.155 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C)C1 ZINC000553497223 547283725 /nfs/dbraw/zinc/28/37/25/547283725.db2.gz AJRYDAXMSCOYBT-ULQDDVLXSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000553497223 547283730 /nfs/dbraw/zinc/28/37/30/547283730.db2.gz AJRYDAXMSCOYBT-ULQDDVLXSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](C)C2)C1 ZINC000553497223 547283733 /nfs/dbraw/zinc/28/37/33/547283733.db2.gz AJRYDAXMSCOYBT-ULQDDVLXSA-N 2 1 350.507 0.729 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1C ZINC000553832356 547310548 /nfs/dbraw/zinc/31/05/48/547310548.db2.gz ZKFFCZAYYDINSF-STQMWFEESA-N 2 1 350.467 0.043 10 0 FCAEMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+]1C ZINC000553832356 547310552 /nfs/dbraw/zinc/31/05/52/547310552.db2.gz ZKFFCZAYYDINSF-STQMWFEESA-N 2 1 350.467 0.043 10 0 FCAEMP O[C@@]1(C[NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C[NH2+]CCOC1 ZINC000077386035 674409629 /nfs/dbraw/zinc/40/96/29/674409629.db2.gz DGDVUMKRFJFBEC-GOSISDBHSA-N 2 1 355.429 0.870 10 0 FCAEMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368807 664410647 /nfs/dbraw/zinc/41/06/47/664410647.db2.gz YYEISSIADNUVGO-SJORKVTESA-N 2 1 350.507 0.921 10 0 FCAEMP 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1 351.495 0.492 10 0 FCAEMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849554864 671352460 /nfs/dbraw/zinc/35/24/60/671352460.db2.gz ONLAVYAGQUJBSY-SJORKVTESA-N 2 1 351.495 0.540 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849554864 671352462 /nfs/dbraw/zinc/35/24/62/671352462.db2.gz ONLAVYAGQUJBSY-SJORKVTESA-N 2 1 351.495 0.540 10 0 FCAEMP COCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849554864 671352466 /nfs/dbraw/zinc/35/24/66/671352466.db2.gz ONLAVYAGQUJBSY-SJORKVTESA-N 2 1 351.495 0.540 10 0 FCAEMP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849593630 671353606 /nfs/dbraw/zinc/35/36/06/671353606.db2.gz QPCCMWKTWSWPDC-IXDOHACOSA-N 2 1 351.495 0.273 10 0 FCAEMP NS(=O)(=O)c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707986 671518894 /nfs/dbraw/zinc/51/88/94/671518894.db2.gz NLXWXHFIHSOBSP-INIZCTEOSA-N 2 1 353.488 0.408 10 0 FCAEMP NS(=O)(=O)c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707986 671518896 /nfs/dbraw/zinc/51/88/96/671518896.db2.gz NLXWXHFIHSOBSP-INIZCTEOSA-N 2 1 353.488 0.408 10 0 FCAEMP C[NH+]1CCN([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000852871920 671528560 /nfs/dbraw/zinc/52/85/60/671528560.db2.gz FGXLKOQLEAXRHN-GXTWGEPZSA-N 2 1 351.476 0.256 10 0 FCAEMP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345473 671637857 /nfs/dbraw/zinc/63/78/57/671637857.db2.gz BDRBVXDOHRUIKP-LBPRGKRZSA-N 2 1 353.467 0.517 10 0 FCAEMP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855345473 671637860 /nfs/dbraw/zinc/63/78/60/671637860.db2.gz BDRBVXDOHRUIKP-LBPRGKRZSA-N 2 1 353.467 0.517 10 0 FCAEMP CON(CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000856016734 671674507 /nfs/dbraw/zinc/67/45/07/671674507.db2.gz DTFJFBSVNXKUIG-JKSUJKDBSA-N 2 1 354.495 0.566 10 0 FCAEMP CON(CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(=O)C[N@H+]1CC[C@@H](C)C1 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/nfs/dbraw/zinc/96/77/00/675967700.db2.gz ZCDROZOJULSRAB-YNEHKIRRSA-N 2 1 364.412 0.667 10 0 FCAEMP C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000903816549 675976002 /nfs/dbraw/zinc/97/60/02/675976002.db2.gz VTDNGURZHDSZJU-NVXWUHKLSA-N 2 1 350.507 0.918 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(Br)nn1C)C2 ZINC000903976797 675985422 /nfs/dbraw/zinc/98/54/22/675985422.db2.gz BEJMDQZPPHWRRU-RBZYPMLTSA-N 2 1 357.252 0.895 10 0 FCAEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(Br)nn1C)C2 ZINC000903976797 675985424 /nfs/dbraw/zinc/98/54/24/675985424.db2.gz BEJMDQZPPHWRRU-RBZYPMLTSA-N 2 1 357.252 0.895 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cnn1C ZINC000903884035 675980647 /nfs/dbraw/zinc/98/06/47/675980647.db2.gz PTESSOFZTZUQCD-GDBMZVCRSA-N 2 1 357.524 0.250 10 0 FCAEMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cnn1C ZINC000903884035 675980650 /nfs/dbraw/zinc/98/06/50/675980650.db2.gz PTESSOFZTZUQCD-GDBMZVCRSA-N 2 1 357.524 0.250 10 0 FCAEMP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549622 672135931 /nfs/dbraw/zinc/13/59/31/672135931.db2.gz HJRSQSOOQSWUDF-YUELXQCFSA-N 2 1 352.479 0.937 10 0 FCAEMP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550099 672136389 /nfs/dbraw/zinc/13/63/89/672136389.db2.gz NTCCLGWRTUDFMW-MAZHCROVSA-N 2 1 350.463 0.691 10 0 FCAEMP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cnn1C ZINC000903927344 675983362 /nfs/dbraw/zinc/98/33/62/675983362.db2.gz XNXRINDLHWGIPI-SFHVURJKSA-N 3 1 350.555 0.709 10 0 FCAEMP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707904 672290152 /nfs/dbraw/zinc/29/01/52/672290152.db2.gz JZDXGTSSYQZJSL-BVUBDWEXSA-N 2 1 350.463 0.691 10 0 FCAEMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707904 672290156 /nfs/dbraw/zinc/29/01/56/672290156.db2.gz JZDXGTSSYQZJSL-BVUBDWEXSA-N 2 1 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10 0 FCAEMP CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000789520039 1201008316 /nfs/dbraw/zinc/00/83/16/1201008316.db2.gz OJSVZZMWHKRHCL-AWEZNQCLSA-N 2 1 365.478 0.341 10 0 FCAEMP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000793815920 1201269564 /nfs/dbraw/zinc/26/95/64/1201269564.db2.gz VNVDLPJQEJTDRH-SJORKVTESA-N 2 1 366.506 0.204 10 0 FCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000747229587 1201497941 /nfs/dbraw/zinc/49/79/41/1201497941.db2.gz KRDMOYKWCPGNMN-SJORKVTESA-N 2 1 361.490 0.612 10 0 FCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000747229587 1201497943 /nfs/dbraw/zinc/49/79/43/1201497943.db2.gz KRDMOYKWCPGNMN-SJORKVTESA-N 2 1 361.490 0.612 10 0 FCAEMP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)[C@H]2C1 ZINC000815704825 1203049480 /nfs/dbraw/zinc/04/94/80/1203049480.db2.gz QSFVMVOEAQMIOO-QAPCUYQASA-N 2 1 371.485 0.539 10 0 FCAEMP COc1cc(OCC[NH+](C)C)ccc1NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000819491384 1203159075 /nfs/dbraw/zinc/15/90/75/1203159075.db2.gz FPAXQXUDLKILNY-INIZCTEOSA-N 2 1 366.506 0.656 10 0 FCAEMP CNC(=O)[C@@H]1CC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844707732 1204428966 /nfs/dbraw/zinc/42/89/66/1204428966.db2.gz JOEXYSDEJMSBCO-QYZOEREBSA-N 2 1 370.497 0.992 10 0 FCAEMP CNC(=O)[C@@H]1CC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844707732 1204428968 /nfs/dbraw/zinc/42/89/68/1204428968.db2.gz JOEXYSDEJMSBCO-QYZOEREBSA-N 2 1 370.497 0.992 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844707732 1204428970 /nfs/dbraw/zinc/42/89/70/1204428970.db2.gz JOEXYSDEJMSBCO-QYZOEREBSA-N 2 1 370.497 0.992 10 0 FCAEMP CNC(=O)[C@@H]1CC[NH+](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844707732 1204428972 /nfs/dbraw/zinc/42/89/72/1204428972.db2.gz JOEXYSDEJMSBCO-QYZOEREBSA-N 2 1 370.497 0.992 10 0 FCAEMP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846329868 1204611059 /nfs/dbraw/zinc/61/10/59/1204611059.db2.gz NVOMPEQHZKAZPC-SJORKVTESA-N 2 1 360.458 0.002 10 0 FCAEMP C[N@@H+](CCNC(=O)C1CC[NH+](CCn2cnnn2)CC1)Cc1ccccc1 ZINC001191306098 1207775708 /nfs/dbraw/zinc/77/57/08/1207775708.db2.gz MZPPITYFBSMJQL-UHFFFAOYSA-N 2 1 371.489 0.633 10 0 FCAEMP CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001488966466 1208589045 /nfs/dbraw/zinc/58/90/45/1208589045.db2.gz UKJJOVIEBDJSLL-ARFHVFGLSA-N 2 1 350.507 0.824 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC)[NH+](CC)CC ZINC001489132033 1208635142 /nfs/dbraw/zinc/63/51/42/1208635142.db2.gz DVQZPJMSCNSXOB-BFHYXJOUSA-N 2 1 355.483 0.271 10 0 FCAEMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC)[NH+](CC)CC ZINC001489132033 1208635146 /nfs/dbraw/zinc/63/51/46/1208635146.db2.gz DVQZPJMSCNSXOB-BFHYXJOUSA-N 2 1 355.483 0.271 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1CC)[NH+](C)C ZINC001489132898 1208635963 /nfs/dbraw/zinc/63/59/63/1208635963.db2.gz MEPFSFVMKBAFMB-ZNMIVQPWSA-N 2 1 367.494 0.284 10 0 FCAEMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1CC)[NH+](C)C ZINC001489132898 1208635965 /nfs/dbraw/zinc/63/59/65/1208635965.db2.gz MEPFSFVMKBAFMB-ZNMIVQPWSA-N 2 1 367.494 0.284 10 0 FCAEMP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001489264331 1208703876 /nfs/dbraw/zinc/70/38/76/1208703876.db2.gz WZXVHAIYUWTLAP-PVAVHDDUSA-N 2 1 365.522 0.615 10 0 FCAEMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C1CC1 ZINC001489287149 1208718341 /nfs/dbraw/zinc/71/83/41/1208718341.db2.gz QTVKSRYWUDQVPS-FMKPAKJESA-N 2 1 350.507 0.822 10 0 FCAEMP C[C@@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C1CC1 ZINC001489287149 1208718344 /nfs/dbraw/zinc/71/83/44/1208718344.db2.gz QTVKSRYWUDQVPS-FMKPAKJESA-N 2 1 350.507 0.822 10 0 FCAEMP 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C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001489607134 1208960533 /nfs/dbraw/zinc/96/05/33/1208960533.db2.gz SOQMBZNDUYBPBD-CVEARBPZSA-N 2 1 368.522 0.138 10 0 FCAEMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001489599250 1209025663 /nfs/dbraw/zinc/02/56/63/1209025663.db2.gz JOYOBADHEOGXCL-IKGGRYGDSA-N 2 1 368.522 0.135 10 0 FCAEMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001489599250 1209025664 /nfs/dbraw/zinc/02/56/64/1209025664.db2.gz JOYOBADHEOGXCL-IKGGRYGDSA-N 2 1 368.522 0.135 10 0 FCAEMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001489599250 1209025670 /nfs/dbraw/zinc/02/56/70/1209025670.db2.gz JOYOBADHEOGXCL-IKGGRYGDSA-N 2 1 368.522 0.135 10 0 FCAEMP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001489651185 1209037947 /nfs/dbraw/zinc/03/79/47/1209037947.db2.gz RTSNYYCZLZYQBW-QBPKDAKJSA-N 2 1 350.507 0.728 10 0 FCAEMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2O)CC[N@H+]1C ZINC001489616519 1209047306 /nfs/dbraw/zinc/04/73/06/1209047306.db2.gz LQQZHNTUVXKPOX-NXOAAHMSSA-N 2 1 368.522 0.137 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]2C1 ZINC001490044544 1209225391 /nfs/dbraw/zinc/22/53/91/1209225391.db2.gz OAUFANVMURYKII-SJORKVTESA-N 2 1 352.523 0.977 10 0 FCAEMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000850847142 1209492217 /nfs/dbraw/zinc/49/22/17/1209492217.db2.gz BKMIMKDPLRYOTI-UHFFFAOYSA-N 2 1 371.485 0.717 10 0 FCAEMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cn1 ZINC000851685055 1209512244 /nfs/dbraw/zinc/51/22/44/1209512244.db2.gz OWPBGMAHHJUJRL-UHFFFAOYSA-N 2 1 354.414 0.142 10 0 FCAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000853966049 1209610601 /nfs/dbraw/zinc/61/06/01/1209610601.db2.gz YWAMTZGTMPWOGL-JKSUJKDBSA-N 2 1 372.510 0.480 10 0 FCAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000853966049 1209610603 /nfs/dbraw/zinc/61/06/03/1209610603.db2.gz YWAMTZGTMPWOGL-JKSUJKDBSA-N 2 1 372.510 0.480 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)N3CCOCC3)C2)ccn1 ZINC000856594209 1209715897 /nfs/dbraw/zinc/71/58/97/1209715897.db2.gz DJTDLDRRNXQBDU-GOSISDBHSA-N 2 1 362.474 0.845 10 0 FCAEMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)ccn1 ZINC000856594209 1209715902 /nfs/dbraw/zinc/71/59/02/1209715902.db2.gz DJTDLDRRNXQBDU-GOSISDBHSA-N 2 1 362.474 0.845 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)ccn1 ZINC000856594209 1209715910 /nfs/dbraw/zinc/71/59/10/1209715910.db2.gz DJTDLDRRNXQBDU-GOSISDBHSA-N 2 1 362.474 0.845 10 0 FCAEMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)ccn1 ZINC000856594209 1209715926 /nfs/dbraw/zinc/71/59/26/1209715926.db2.gz DJTDLDRRNXQBDU-GOSISDBHSA-N 2 1 362.474 0.845 10 0 FCAEMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)NC(N)=O)C2)ccn1 ZINC000856591617 1209716691 /nfs/dbraw/zinc/71/66/91/1209716691.db2.gz OXKRCRJQWSHAOX-INIZCTEOSA-N 2 1 363.462 0.962 10 0 FCAEMP O=C1OC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860165417 1209841521 /nfs/dbraw/zinc/84/15/21/1209841521.db2.gz RAOHYDJORQKETB-USTZCAOPSA-N 2 1 356.422 0.896 10 0 FCAEMP O=C1OC[C@@H]2C[NH+](Cc3cccc(C[N@@H+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860165417 1209841523 /nfs/dbraw/zinc/84/15/23/1209841523.db2.gz RAOHYDJORQKETB-USTZCAOPSA-N 2 1 356.422 0.896 10 0 FCAEMP O=C1OC[C@@H]2C[NH+](Cc3cccc(C[N@H+]4C[C@@H]5COC(=O)[C@@H]5C4)c3)C[C@H]12 ZINC000860165417 1209841526 /nfs/dbraw/zinc/84/15/26/1209841526.db2.gz RAOHYDJORQKETB-USTZCAOPSA-N 2 1 356.422 0.896 10 0 FCAEMP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549577 1209944670 /nfs/dbraw/zinc/94/46/70/1209944670.db2.gz GLHMPWXJDLYAFV-QGTPRVQTSA-N 2 1 372.469 0.948 10 0 FCAEMP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N1CCc2ccccc21 ZINC000863552361 1209944904 /nfs/dbraw/zinc/94/49/04/1209944904.db2.gz YIMZZUVHKNYZNB-MSOLQXFVSA-N 2 1 370.453 0.833 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000863642826 1209946999 /nfs/dbraw/zinc/94/69/99/1209946999.db2.gz YICABXWIFHWCOM-DLBZAZTESA-N 2 1 372.473 0.834 10 0 FCAEMP CN1CC[NH+](CCCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000864588431 1209961148 /nfs/dbraw/zinc/96/11/48/1209961148.db2.gz BUJCBKHRILTSNK-HNNXBMFYSA-N 2 1 371.526 0.195 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000865058058 1209970385 /nfs/dbraw/zinc/97/03/85/1209970385.db2.gz GAYZISBWALGGFH-KKUMJFAQSA-N 2 1 370.494 0.421 10 0 FCAEMP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706879 1210001919 /nfs/dbraw/zinc/00/19/19/1210001919.db2.gz CORMMOYQVJWWLW-OWLYRPNTSA-N 2 1 372.469 0.601 10 0 FCAEMP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706879 1210001922 /nfs/dbraw/zinc/00/19/22/1210001922.db2.gz CORMMOYQVJWWLW-OWLYRPNTSA-N 2 1 372.469 0.601 10 0 FCAEMP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000866708034 1210001963 /nfs/dbraw/zinc/00/19/63/1210001963.db2.gz CJTMETQKUMJJQF-HRCADAONSA-N 2 1 369.429 0.072 10 0 FCAEMP Cn1c2ncn(CC[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000866706176 1210002265 /nfs/dbraw/zinc/00/22/65/1210002265.db2.gz MYVHOPCHNMKZLT-SFHVURJKSA-N 2 1 362.478 0.131 10 0 FCAEMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707622 1210002463 /nfs/dbraw/zinc/00/24/63/1210002463.db2.gz IVPBYFKXWYFHIF-LLLHUVSDSA-N 2 1 358.442 0.905 10 0 FCAEMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707622 1210002466 /nfs/dbraw/zinc/00/24/66/1210002466.db2.gz IVPBYFKXWYFHIF-LLLHUVSDSA-N 2 1 358.442 0.905 10 0 FCAEMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708731 1210002660 /nfs/dbraw/zinc/00/26/60/1210002660.db2.gz ODYLWISZDXQHOT-SVGFKBNWSA-N 2 1 364.490 0.938 10 0 FCAEMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708731 1210002664 /nfs/dbraw/zinc/00/26/64/1210002664.db2.gz ODYLWISZDXQHOT-SVGFKBNWSA-N 2 1 364.490 0.938 10 0 FCAEMP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866710410 1210003513 /nfs/dbraw/zinc/00/35/13/1210003513.db2.gz QJHBUFQKTRXULA-ZFVVBOAOSA-N 2 1 362.474 0.643 10 0 FCAEMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000866710410 1210003516 /nfs/dbraw/zinc/00/35/16/1210003516.db2.gz QJHBUFQKTRXULA-ZFVVBOAOSA-N 2 1 362.474 0.643 10 0 FCAEMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712109 1210004210 /nfs/dbraw/zinc/00/42/10/1210004210.db2.gz RBVXZTYIRCZJJW-ONIAQPFYSA-N 3 1 360.458 0.604 10 0 FCAEMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866712109 1210004215 /nfs/dbraw/zinc/00/42/15/1210004215.db2.gz RBVXZTYIRCZJJW-ONIAQPFYSA-N 3 1 360.458 0.604 10 0 FCAEMP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867542723 1210011799 /nfs/dbraw/zinc/01/17/99/1210011799.db2.gz NJYWMIXHBYWCNM-UHFFFAOYSA-N 2 1 368.522 0.357 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000867586958 1210015856 /nfs/dbraw/zinc/01/58/56/1210015856.db2.gz PRFNASKDOUUZFA-MOPGFXCFSA-N 2 1 370.497 0.883 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000867741469 1210026681 /nfs/dbraw/zinc/02/66/81/1210026681.db2.gz FIYAANSLPREXCG-HNNXBMFYSA-N 2 1 368.522 0.233 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@H+]1CC(C)(C)O ZINC000867741469 1210026687 /nfs/dbraw/zinc/02/66/87/1210026687.db2.gz FIYAANSLPREXCG-HNNXBMFYSA-N 2 1 368.522 0.233 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC[NH+]1CC(C)(C)O ZINC000867741469 1210026690 /nfs/dbraw/zinc/02/66/90/1210026690.db2.gz FIYAANSLPREXCG-HNNXBMFYSA-N 2 1 368.522 0.233 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC[NH+]1CC(C)(C)O ZINC000867741469 1210026694 /nfs/dbraw/zinc/02/66/94/1210026694.db2.gz FIYAANSLPREXCG-HNNXBMFYSA-N 2 1 368.522 0.233 10 0 FCAEMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC1(C)C ZINC000867742227 1210028162 /nfs/dbraw/zinc/02/81/62/1210028162.db2.gz DYEMUTCMXSVWPD-UHFFFAOYSA-N 2 1 366.506 0.252 10 0 FCAEMP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC1(C)C ZINC000867742227 1210028167 /nfs/dbraw/zinc/02/81/67/1210028167.db2.gz DYEMUTCMXSVWPD-UHFFFAOYSA-N 2 1 366.506 0.252 10 0 FCAEMP CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224306 1210044101 /nfs/dbraw/zinc/04/41/01/1210044101.db2.gz FUWRNARKVFZDRU-DLBZAZTESA-N 2 1 359.474 0.193 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+]1CC(C)(C)O ZINC000868235033 1210045199 /nfs/dbraw/zinc/04/51/99/1210045199.db2.gz JJHRBQGMSYETHR-RRQGHBQHSA-N 2 1 374.485 0.743 10 0 FCAEMP C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1CC(C)(C)O ZINC000868235033 1210045205 /nfs/dbraw/zinc/04/52/05/1210045205.db2.gz JJHRBQGMSYETHR-RRQGHBQHSA-N 2 1 374.485 0.743 10 0 FCAEMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000868229608 1210045212 /nfs/dbraw/zinc/04/52/12/1210045212.db2.gz PZFHUQFNIFOVEE-WCXIOVBPSA-N 2 1 358.442 0.419 10 0 FCAEMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@H]21 ZINC000868309217 1210050873 /nfs/dbraw/zinc/05/08/73/1210050873.db2.gz HAQWODOALXSGQA-GDBMZVCRSA-N 2 1 358.442 0.660 10 0 FCAEMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000868637679 1210070802 /nfs/dbraw/zinc/07/08/02/1210070802.db2.gz ZYSNLZQBAMAGPE-CABCVRRESA-N 2 1 372.510 0.404 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254698 1210181969 /nfs/dbraw/zinc/18/19/69/1210181969.db2.gz BYRXHTNYOLJJPJ-DKKFBQAASA-N 2 1 367.534 0.941 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254698 1210181976 /nfs/dbraw/zinc/18/19/76/1210181976.db2.gz BYRXHTNYOLJJPJ-DKKFBQAASA-N 2 1 367.534 0.941 10 0 FCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254698 1210181982 /nfs/dbraw/zinc/18/19/82/1210181982.db2.gz BYRXHTNYOLJJPJ-DKKFBQAASA-N 2 1 367.534 0.941 10 0 FCAEMP CC1=CC[N@@H+](CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000545859803 1211424145 /nfs/dbraw/zinc/42/41/45/1211424145.db2.gz BIGKXJVTOFMJDI-UHFFFAOYSA-N 2 1 363.506 0.588 10 0 FCAEMP O=C1NCC2(CCOCC2)[C@H]1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000925134488 1211491242 /nfs/dbraw/zinc/49/12/42/1211491242.db2.gz SEWGDDVXHZXUHG-PXNSSMCTSA-N 2 1 359.470 0.508 10 0 FCAEMP O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000925134488 1211491244 /nfs/dbraw/zinc/49/12/44/1211491244.db2.gz SEWGDDVXHZXUHG-PXNSSMCTSA-N 2 1 359.470 0.508 10 0 FCAEMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926294915 1211527404 /nfs/dbraw/zinc/52/74/04/1211527404.db2.gz LIZVEONPJVUCMG-PXNSSMCTSA-N 2 1 374.485 0.032 10 0 FCAEMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926337996 1211534287 /nfs/dbraw/zinc/53/42/87/1211534287.db2.gz UWPPSWSEZJEPMU-IBGZPJMESA-N 2 1 366.506 0.036 10 0 FCAEMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@H]1C ZINC000926345675 1211536293 /nfs/dbraw/zinc/53/62/93/1211536293.db2.gz FSAHNZIMHCAEHG-OWCLPIDISA-N 2 1 366.506 0.284 10 0 FCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[C@H]1C ZINC000926345675 1211536300 /nfs/dbraw/zinc/53/63/00/1211536300.db2.gz FSAHNZIMHCAEHG-OWCLPIDISA-N 2 1 366.506 0.284 10 0 FCAEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926345766 1211536349 /nfs/dbraw/zinc/53/63/49/1211536349.db2.gz VECCCDLLEMLQKS-HOTGVXAUSA-N 2 1 366.506 0.141 10 0 FCAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926345766 1211536352 /nfs/dbraw/zinc/53/63/52/1211536352.db2.gz VECCCDLLEMLQKS-HOTGVXAUSA-N 2 1 366.506 0.141 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[C@H]1C[NH3+] ZINC000926369049 1211540468 /nfs/dbraw/zinc/54/04/68/1211540468.db2.gz ZUXCOSYTICRZBU-KYHPRHEASA-N 2 1 362.518 0.905 10 0 FCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000926397840 1211545731 /nfs/dbraw/zinc/54/57/31/1211545731.db2.gz GVHPELMUOFMHSU-JKSUJKDBSA-N 2 1 366.506 0.286 10 0 FCAEMP C[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000926964737 1211560598 /nfs/dbraw/zinc/56/05/98/1211560598.db2.gz NEKWCZFEVKHPAY-FGTMMUONSA-N 2 1 358.486 0.881 10 0 FCAEMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000927809110 1211582668 /nfs/dbraw/zinc/58/26/68/1211582668.db2.gz CINIZDIEQGJRGA-FHLIZLRMSA-N 2 1 371.485 0.634 10 0 FCAEMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000927855412 1211586035 /nfs/dbraw/zinc/58/60/35/1211586035.db2.gz RPWJVCSPNUVUIT-KRWDZBQOSA-N 2 1 373.501 0.963 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)nc2)CC[N@H+]1C ZINC000928436680 1211602057 /nfs/dbraw/zinc/60/20/57/1211602057.db2.gz VHQQELBQSYGBAP-XOUADPBQSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)nc2)CC[NH+]1C ZINC000928436680 1211602059 /nfs/dbraw/zinc/60/20/59/1211602059.db2.gz VHQQELBQSYGBAP-XOUADPBQSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)nc2)CC[NH+]1C ZINC000928436680 1211602060 /nfs/dbraw/zinc/60/20/60/1211602060.db2.gz VHQQELBQSYGBAP-XOUADPBQSA-N 2 1 359.474 0.726 10 0 FCAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929405216 1211637251 /nfs/dbraw/zinc/63/72/51/1211637251.db2.gz RHWGAGWVMDBOCN-IXDOHACOSA-N 2 1 366.506 0.035 10 0 FCAEMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000929497938 1211641723 /nfs/dbraw/zinc/64/17/23/1211641723.db2.gz BDBPILXKTFKEOO-FXAWDEMLSA-N 2 1 358.486 0.775 10 0 FCAEMP C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCCCC1 ZINC000929604176 1211649319 /nfs/dbraw/zinc/64/93/19/1211649319.db2.gz CAPSJXIXPZABFN-NVXWUHKLSA-N 2 1 366.506 0.347 10 0 FCAEMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929667030 1211653834 /nfs/dbraw/zinc/65/38/34/1211653834.db2.gz PTTJAMQJGVJBFE-FXAWDEMLSA-N 2 1 358.486 0.645 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929667030 1211653840 /nfs/dbraw/zinc/65/38/40/1211653840.db2.gz PTTJAMQJGVJBFE-FXAWDEMLSA-N 2 1 358.486 0.645 10 0 FCAEMP C[NH+](CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000929667030 1211653845 /nfs/dbraw/zinc/65/38/45/1211653845.db2.gz PTTJAMQJGVJBFE-FXAWDEMLSA-N 2 1 358.486 0.645 10 0 FCAEMP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1 ZINC000929746173 1211658218 /nfs/dbraw/zinc/65/82/18/1211658218.db2.gz AKIXELTUQPUJIR-WBVHZDCISA-N 2 1 359.474 0.544 10 0 FCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000929948972 1211674653 /nfs/dbraw/zinc/67/46/53/1211674653.db2.gz XOLXYFYHSUKETC-OAHLLOKOSA-N 2 1 363.462 0.145 10 0 FCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000929948972 1211674656 /nfs/dbraw/zinc/67/46/56/1211674656.db2.gz XOLXYFYHSUKETC-OAHLLOKOSA-N 2 1 363.462 0.145 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000931009077 1211734380 /nfs/dbraw/zinc/73/43/80/1211734380.db2.gz CZIQOBQGHUPHBI-CQSZACIVSA-N 2 1 363.462 0.540 10 0 FCAEMP CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000931009077 1211734381 /nfs/dbraw/zinc/73/43/81/1211734381.db2.gz CZIQOBQGHUPHBI-CQSZACIVSA-N 2 1 363.462 0.540 10 0 FCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931507915 1211759291 /nfs/dbraw/zinc/75/92/91/1211759291.db2.gz BDUNGLQWUKCHJA-HNNXBMFYSA-N 2 1 361.490 0.495 10 0 FCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)[C@@H](C)C1 ZINC000931610459 1211763498 /nfs/dbraw/zinc/76/34/98/1211763498.db2.gz DPXLVFSGSHFJPQ-WMLDXEAASA-N 2 1 361.490 0.953 10 0 FCAEMP COC(=O)C1CCN(C(=O)CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000779650328 1212804300 /nfs/dbraw/zinc/80/43/00/1212804300.db2.gz MOAUGVQAFFQPKG-AWEZNQCLSA-N 2 1 370.450 0.006 10 0 FCAEMP COC(=O)C1CCN(C(=O)CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000779650328 1212804301 /nfs/dbraw/zinc/80/43/01/1212804301.db2.gz MOAUGVQAFFQPKG-AWEZNQCLSA-N 2 1 370.450 0.006 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCCOc2ccccc2)C1 ZINC000779651166 1212804703 /nfs/dbraw/zinc/80/47/03/1212804703.db2.gz CACVKJLBUXKDBC-INIZCTEOSA-N 2 1 364.446 0.789 10 0 FCAEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCCOc2ccccc2)C1 ZINC000779651166 1212804705 /nfs/dbraw/zinc/80/47/05/1212804705.db2.gz CACVKJLBUXKDBC-INIZCTEOSA-N 2 1 364.446 0.789 10 0 FCAEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCCOc2ccccc2)C1 ZINC000779651173 1212804948 /nfs/dbraw/zinc/80/49/48/1212804948.db2.gz CACVKJLBUXKDBC-MRXNPFEDSA-N 2 1 364.446 0.789 10 0 FCAEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCCOc2ccccc2)C1 ZINC000779651173 1212804949 /nfs/dbraw/zinc/80/49/49/1212804949.db2.gz CACVKJLBUXKDBC-MRXNPFEDSA-N 2 1 364.446 0.789 10 0 FCAEMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@]3(O)CCC[N@H+](C)C3)cc2)CC1 ZINC000900209072 1217971391 /nfs/dbraw/zinc/97/13/91/1217971391.db2.gz OMVOJKJGSXFDGY-NRFANRHFSA-N 2 1 374.529 0.897 10 0 FCAEMP CN1CC[NH+](Cc2ccc(CNC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)cc2)CC1 ZINC000900209072 1217971393 /nfs/dbraw/zinc/97/13/93/1217971393.db2.gz OMVOJKJGSXFDGY-NRFANRHFSA-N 2 1 374.529 0.897 10 0 FCAEMP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000900325705 1217980237 /nfs/dbraw/zinc/98/02/37/1217980237.db2.gz HPMOYNJXYIBSRQ-YLJYHZDGSA-N 2 1 374.485 0.922 10 0 FCAEMP C[N@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000900325705 1217980244 /nfs/dbraw/zinc/98/02/44/1217980244.db2.gz HPMOYNJXYIBSRQ-YLJYHZDGSA-N 2 1 374.485 0.922 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000900325705 1217980249 /nfs/dbraw/zinc/98/02/49/1217980249.db2.gz HPMOYNJXYIBSRQ-YLJYHZDGSA-N 2 1 374.485 0.922 10 0 FCAEMP C[NH+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000900325705 1217980254 /nfs/dbraw/zinc/98/02/54/1217980254.db2.gz HPMOYNJXYIBSRQ-YLJYHZDGSA-N 2 1 374.485 0.922 10 0 FCAEMP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900398663 1217985024 /nfs/dbraw/zinc/98/50/24/1217985024.db2.gz UBGDFKAOLOFBBO-IBGZPJMESA-N 2 1 361.490 0.296 10 0 FCAEMP CN(Cc1cccnc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903713822 1218504487 /nfs/dbraw/zinc/50/44/87/1218504487.db2.gz CTHXWZVNGLRXKI-HDICACEKSA-N 2 1 371.485 0.467 10 0 FCAEMP CN(Cc1cccnc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903713822 1218504496 /nfs/dbraw/zinc/50/44/96/1218504496.db2.gz CTHXWZVNGLRXKI-HDICACEKSA-N 2 1 371.485 0.467 10 0 FCAEMP C[C@H]1OCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[C@H]1C ZINC000903742278 1218511820 /nfs/dbraw/zinc/51/18/20/1218511820.db2.gz MORYGIYPLHCWNG-HDEZJCGLSA-N 2 1 364.490 0.049 10 0 FCAEMP C[C@H]1OCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)[C@H]1C ZINC000903742278 1218511825 /nfs/dbraw/zinc/51/18/25/1218511825.db2.gz MORYGIYPLHCWNG-HDEZJCGLSA-N 2 1 364.490 0.049 10 0 FCAEMP COC[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903773869 1218522493 /nfs/dbraw/zinc/52/24/93/1218522493.db2.gz RMAOZUVOYVQAKL-BBWFWOEESA-N 2 1 364.490 0.051 10 0 FCAEMP COC[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903773869 1218522501 /nfs/dbraw/zinc/52/25/01/1218522501.db2.gz RMAOZUVOYVQAKL-BBWFWOEESA-N 2 1 364.490 0.051 10 0 FCAEMP Cc1cc(N2CC[C@H]([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2=O)n(C)n1 ZINC000903922623 1218565670 /nfs/dbraw/zinc/56/56/70/1218565670.db2.gz ASXYQQNQPOOQCU-HIFRSBDPSA-N 2 1 358.450 0.140 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000804060447 1219116987 /nfs/dbraw/zinc/11/69/87/1219116987.db2.gz RWKZEZUKCOPWLJ-NXOAAHMSSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000804060447 1219116993 /nfs/dbraw/zinc/11/69/93/1219116993.db2.gz RWKZEZUKCOPWLJ-NXOAAHMSSA-N 2 1 366.506 0.155 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2)CC[N@@H+]1C ZINC001491462750 1220142571 /nfs/dbraw/zinc/14/25/71/1220142571.db2.gz KPDXURRJFDAGST-HYVNUMGLSA-N 2 1 371.489 0.987 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2)CC[N@H+]1C ZINC001491462750 1220142574 /nfs/dbraw/zinc/14/25/74/1220142574.db2.gz KPDXURRJFDAGST-HYVNUMGLSA-N 2 1 371.489 0.987 10 0 FCAEMP COCCOC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397642 1226016537 /nfs/dbraw/zinc/01/65/37/1226016537.db2.gz QVNIOACCIUKPGR-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP COCCOC[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277397642 1226016542 /nfs/dbraw/zinc/01/65/42/1226016542.db2.gz QVNIOACCIUKPGR-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP COCCOC[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001277397642 1226016544 /nfs/dbraw/zinc/01/65/44/1226016544.db2.gz QVNIOACCIUKPGR-KBAYOESNSA-N 2 1 371.522 0.273 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001118035033 1221692147 /nfs/dbraw/zinc/69/21/47/1221692147.db2.gz KUAZDDBRZLXORN-ULQDDVLXSA-N 2 1 362.449 0.945 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001118035033 1221692150 /nfs/dbraw/zinc/69/21/50/1221692150.db2.gz KUAZDDBRZLXORN-ULQDDVLXSA-N 2 1 362.449 0.945 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC001118442979 1221779871 /nfs/dbraw/zinc/77/98/71/1221779871.db2.gz HOSAQEFCEBBFOF-ZHALLVOQSA-N 2 1 363.506 0.371 10 0 FCAEMP C[N@H+]1C[C@@H]2CN(c3nnc(C4=[NH+]O[C@H](CO)C4)n3CC3CC3)C[C@]2(C)C1 ZINC001123674176 1222348676 /nfs/dbraw/zinc/34/86/76/1222348676.db2.gz VVZNHVKMXMQJGS-GLJUWKHASA-N 2 1 360.462 0.561 10 0 FCAEMP C[NH+]1C[C@@H]2[C@H](NC(=O)[C@H](F)C(=O)N[C@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)CC[C@@H]2C1 ZINC001124106660 1222380963 /nfs/dbraw/zinc/38/09/63/1222380963.db2.gz HZPNABSICVVCCV-HCCOSRNKSA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)[C@H]2C1 ZINC001124106660 1222380968 /nfs/dbraw/zinc/38/09/68/1222380968.db2.gz HZPNABSICVVCCV-HCCOSRNKSA-N 2 1 366.481 0.237 10 0 FCAEMP C[NH+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](F)C(=O)N[C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)[C@H]2C1 ZINC001124106660 1222380973 /nfs/dbraw/zinc/38/09/73/1222380973.db2.gz HZPNABSICVVCCV-HCCOSRNKSA-N 2 1 366.481 0.237 10 0 FCAEMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000843258491 1222867425 /nfs/dbraw/zinc/86/74/25/1222867425.db2.gz GHCWFURWCXDVDZ-XYJFISCASA-N 2 1 372.469 0.051 10 0 FCAEMP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001276434307 1223298157 /nfs/dbraw/zinc/29/81/57/1223298157.db2.gz ZONPUAMRJDRXMK-DAXOMENPSA-N 2 1 359.474 0.486 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[N@H+]1CCO ZINC000849600869 1245406387 /nfs/dbraw/zinc/40/63/87/1245406387.db2.gz RRYGXVWEVDYYTI-CYGHRXIMSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[N@@H+]1CCO ZINC000849600869 1245406391 /nfs/dbraw/zinc/40/63/91/1245406391.db2.gz RRYGXVWEVDYYTI-CYGHRXIMSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[NH+]1CCO ZINC000849600869 1245406397 /nfs/dbraw/zinc/40/63/97/1245406397.db2.gz RRYGXVWEVDYYTI-CYGHRXIMSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[NH+]1CCO ZINC000849600869 1245406400 /nfs/dbraw/zinc/40/64/00/1245406400.db2.gz RRYGXVWEVDYYTI-CYGHRXIMSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[N@H+]1CCO ZINC000849600867 1245407846 /nfs/dbraw/zinc/40/78/46/1245407846.db2.gz RRYGXVWEVDYYTI-ATLSCFEFSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[N@@H+]1CCO ZINC000849600867 1245407848 /nfs/dbraw/zinc/40/78/48/1245407848.db2.gz RRYGXVWEVDYYTI-ATLSCFEFSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[NH+]1CCO ZINC000849600867 1245407851 /nfs/dbraw/zinc/40/78/51/1245407851.db2.gz RRYGXVWEVDYYTI-ATLSCFEFSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[NH+]1CCO ZINC000849600867 1245407854 /nfs/dbraw/zinc/40/78/54/1245407854.db2.gz RRYGXVWEVDYYTI-ATLSCFEFSA-N 2 1 363.506 0.369 10 0 FCAEMP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000919297520 1245602660 /nfs/dbraw/zinc/60/26/60/1245602660.db2.gz NDLFZYYKZSHSTM-BRWVUGGUSA-N 2 1 360.506 0.984 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000919297520 1245602670 /nfs/dbraw/zinc/60/26/70/1245602670.db2.gz NDLFZYYKZSHSTM-BRWVUGGUSA-N 2 1 360.506 0.984 10 0 FCAEMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000919297520 1245602677 /nfs/dbraw/zinc/60/26/77/1245602677.db2.gz NDLFZYYKZSHSTM-BRWVUGGUSA-N 2 1 360.506 0.984 10 0 FCAEMP O=C1[C@H](N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CCN1c1ccccc1 ZINC000923312616 1245707338 /nfs/dbraw/zinc/70/73/38/1245707338.db2.gz KWQHFSOKSFSGOC-RBUKOAKNSA-N 2 1 370.497 0.788 10 0 FCAEMP O=C1[C@@H](N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CCN1c1ccccc1 ZINC000923312613 1245707643 /nfs/dbraw/zinc/70/76/43/1245707643.db2.gz KWQHFSOKSFSGOC-MOPGFXCFSA-N 2 1 370.497 0.788 10 0 FCAEMP CCO[C@H](CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C[NH+](C)C ZINC000923321547 1245708528 /nfs/dbraw/zinc/70/85/28/1245708528.db2.gz DVARWVBDYUZUDB-BRWVUGGUSA-N 2 1 368.522 0.896 10 0 FCAEMP c1ccc(-n2nnnc2CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923323765 1245709740 /nfs/dbraw/zinc/70/97/40/1245709740.db2.gz MMXZTCHVSPNBKT-QGZVFWFLSA-N 2 1 369.473 0.158 10 0 FCAEMP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462879 1245722436 /nfs/dbraw/zinc/72/24/36/1245722436.db2.gz CQVALBBYKKKHPY-HNNXBMFYSA-N 2 1 359.474 0.635 10 0 FCAEMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923476753 1245722946 /nfs/dbraw/zinc/72/29/46/1245722946.db2.gz GHDDOERUWLMHKV-NRFANRHFSA-N 2 1 374.529 0.815 10 0 FCAEMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000929354977 1245740838 /nfs/dbraw/zinc/74/08/38/1245740838.db2.gz MDLSWWVNFOOJCU-UHFFFAOYSA-N 2 1 369.554 0.175 10 0 FCAEMP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001515116529 1265434783 /nfs/dbraw/zinc/43/47/83/1265434783.db2.gz CEJYKHMWQIOTLB-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001515116529 1265434786 /nfs/dbraw/zinc/43/47/86/1265434786.db2.gz CEJYKHMWQIOTLB-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001515116529 1265434790 /nfs/dbraw/zinc/43/47/90/1265434790.db2.gz CEJYKHMWQIOTLB-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP CCC[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001515116529 1265434795 /nfs/dbraw/zinc/43/47/95/1265434795.db2.gz CEJYKHMWQIOTLB-GVDBMIGSSA-N 2 1 368.522 0.450 10 0 FCAEMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001515238662 1265474661 /nfs/dbraw/zinc/47/46/61/1265474661.db2.gz LYOZLEMXMGFNFW-QBPKDAKJSA-N 2 1 368.522 0.401 10 0 FCAEMP Cc1cc(NC(=O)C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001328859284 1265629457 /nfs/dbraw/zinc/62/94/57/1265629457.db2.gz OBULPEZGSVROQK-XSCHDIRWSA-N 2 1 363.462 0.746 10 0 FCAEMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+](C)CC1 ZINC001519686031 1265749738 /nfs/dbraw/zinc/74/97/38/1265749738.db2.gz CTFSVWHMCVMWKB-NVXWUHKLSA-N 2 1 353.511 0.175 10 0 FCAEMP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2CC([NH+]3CCOCC3)C2)cn1 ZINC001329507995 1265771276 /nfs/dbraw/zinc/77/12/76/1265771276.db2.gz OAWHMRFBJGMHLT-OPQOLIRYSA-N 2 1 361.490 0.435 10 0 FCAEMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2CC([NH+]3CCOCC3)C2)cn1 ZINC001329507995 1265771282 /nfs/dbraw/zinc/77/12/82/1265771282.db2.gz OAWHMRFBJGMHLT-OPQOLIRYSA-N 2 1 361.490 0.435 10 0 FCAEMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001520228523 1265882818 /nfs/dbraw/zinc/88/28/18/1265882818.db2.gz FAIRQGNHXGTWRV-ZJPYXAASSA-N 2 1 364.534 0.975 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001520228523 1265882826 /nfs/dbraw/zinc/88/28/26/1265882826.db2.gz FAIRQGNHXGTWRV-ZJPYXAASSA-N 2 1 364.534 0.975 10 0 FCAEMP CC[NH+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001520228523 1265882839 /nfs/dbraw/zinc/88/28/39/1265882839.db2.gz FAIRQGNHXGTWRV-ZJPYXAASSA-N 2 1 364.534 0.975 10 0 FCAEMP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)[C@@H]1C ZINC001520939969 1266045907 /nfs/dbraw/zinc/04/59/07/1266045907.db2.gz KQQROBPJFVOPNR-INMHGKMJSA-N 2 1 361.490 0.893 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001330599837 1266068575 /nfs/dbraw/zinc/06/85/75/1266068575.db2.gz SJVXPPWMTHNEQU-KBUPBQIOSA-N 2 1 360.462 0.240 10 0 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C[N@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(F)cc1 ZINC001325310639 1264844115 /nfs/dbraw/zinc/84/41/15/1264844115.db2.gz JMKIFEONRILCOS-RDJZCZTQSA-N 2 1 363.437 0.302 10 0 FCAEMP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)cc1 ZINC001325700820 1264973018 /nfs/dbraw/zinc/97/30/18/1264973018.db2.gz ABHHOXOEUXAOBR-JQFCIGGWSA-N 2 1 362.449 0.803 10 0 FCAEMP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)cc1 ZINC001325700820 1264973025 /nfs/dbraw/zinc/97/30/25/1264973025.db2.gz ABHHOXOEUXAOBR-JQFCIGGWSA-N 2 1 362.449 0.803 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC001326146617 1265068266 /nfs/dbraw/zinc/06/82/66/1265068266.db2.gz HDDCBSSVKLVSOD-YYQUZTFQSA-N 2 1 362.449 0.883 10 0 FCAEMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC001326146617 1265068277 /nfs/dbraw/zinc/06/82/77/1265068277.db2.gz HDDCBSSVKLVSOD-YYQUZTFQSA-N 2 1 362.449 0.883 10 0 FCAEMP 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C[NH+](C)CCN1CCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CC1 ZINC001624565681 1290281751 /nfs/dbraw/zinc/28/17/51/1290281751.db2.gz QEIXDEJEQQRGEW-HXUWFJFHSA-N 2 1 360.502 0.628 10 0 FCAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001626449612 1290398134 /nfs/dbraw/zinc/39/81/34/1290398134.db2.gz PGZTWBUZIXKBHI-ZACQAIPSSA-N 2 1 368.522 0.674 10 0 FCAEMP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]21 ZINC001739727425 1290398380 /nfs/dbraw/zinc/39/83/80/1290398380.db2.gz PJTRJGMDGKJXHR-HLIPFELVSA-N 2 1 362.518 0.873 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001739756678 1290404162 /nfs/dbraw/zinc/40/41/62/1290404162.db2.gz RCZLUMQTHQTEAU-ZACQAIPSSA-N 2 1 368.522 0.593 10 0 FCAEMP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001739756678 1290404167 /nfs/dbraw/zinc/40/41/67/1290404167.db2.gz RCZLUMQTHQTEAU-ZACQAIPSSA-N 2 1 368.522 0.593 10 0 FCAEMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(CNC(=O)COCC[NH+](C)C)C2)CC[N@H+]1C ZINC001748158407 1290596016 /nfs/dbraw/zinc/59/60/16/1290596016.db2.gz OVIKPVKZMWIWDP-GPMSIDNRSA-N 2 1 368.522 0.260 10 0 FCAEMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC001653531910 1291351054 /nfs/dbraw/zinc/35/10/54/1291351054.db2.gz AGBVAVVDIBKWBD-IRXDYDNUSA-N 2 1 369.506 0.973 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC001654914078 1291444872 /nfs/dbraw/zinc/44/48/72/1291444872.db2.gz LUUSOSXFQNYZHC-CYBMUJFWSA-N 2 1 363.462 0.666 10 0 FCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC001654914078 1291444877 /nfs/dbraw/zinc/44/48/77/1291444877.db2.gz LUUSOSXFQNYZHC-CYBMUJFWSA-N 2 1 363.462 0.666 10 0 FCAEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001656309326 1291507459 /nfs/dbraw/zinc/50/74/59/1291507459.db2.gz NFJGCXTZEBJWGB-BBWFWOEESA-N 2 1 350.507 0.871 10 0 FCAEMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001656571394 1291547736 /nfs/dbraw/zinc/54/77/36/1291547736.db2.gz QPBIUNYYYMDUKE-IKGGRYGDSA-N 2 1 365.522 0.570 10 0 FCAEMP COCC[N@H+](CCC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC001660546783 1291664407 /nfs/dbraw/zinc/66/44/07/1291664407.db2.gz RTHSGOGMEUWBPZ-UHFFFAOYSA-N 2 1 357.495 0.877 10 0 FCAEMP COCC[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC001660546783 1291664414 /nfs/dbraw/zinc/66/44/14/1291664414.db2.gz RTHSGOGMEUWBPZ-UHFFFAOYSA-N 2 1 357.495 0.877 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001667569972 1291940256 /nfs/dbraw/zinc/94/02/56/1291940256.db2.gz CVGSJCRQTGBZQF-LSDHHAIUSA-N 2 1 352.479 0.256 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001667569972 1291940262 /nfs/dbraw/zinc/94/02/62/1291940262.db2.gz CVGSJCRQTGBZQF-LSDHHAIUSA-N 2 1 352.479 0.256 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC001667569972 1291940265 /nfs/dbraw/zinc/94/02/65/1291940265.db2.gz CVGSJCRQTGBZQF-LSDHHAIUSA-N 2 1 352.479 0.256 10 0 FCAEMP CCNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675689008 1292182240 /nfs/dbraw/zinc/18/22/40/1292182240.db2.gz UYSMYMUEYPDZGU-RGCFKVTRSA-N 2 1 350.507 0.633 10 0 FCAEMP CCNC(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675689008 1292182244 /nfs/dbraw/zinc/18/22/44/1292182244.db2.gz UYSMYMUEYPDZGU-RGCFKVTRSA-N 2 1 350.507 0.633 10 0 FCAEMP CCNC(=O)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001675689008 1292182248 /nfs/dbraw/zinc/18/22/48/1292182248.db2.gz UYSMYMUEYPDZGU-RGCFKVTRSA-N 2 1 350.507 0.633 10 0 FCAEMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cc(Cl)cn2)CC[N@H+]1C ZINC001676536011 1292206114 /nfs/dbraw/zinc/20/61/14/1292206114.db2.gz UOFXRHMVVVHXKC-QLFBSQMISA-N 2 1 357.886 0.334 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CCN1C(=O)C[NH+](CC)CC ZINC001684931593 1292369618 /nfs/dbraw/zinc/36/96/18/1292369618.db2.gz VNRSZOHZNGLPGI-GVDBMIGSSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCN1C(=O)C[NH+](CC)CC ZINC001684931593 1292369628 /nfs/dbraw/zinc/36/96/28/1292369628.db2.gz VNRSZOHZNGLPGI-GVDBMIGSSA-N 2 1 368.522 0.545 10 0 FCAEMP CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001685088491 1292424367 /nfs/dbraw/zinc/42/43/67/1292424367.db2.gz RHKFSGNMZWHLDZ-KSZLIROESA-N 2 1 364.534 0.977 10 0 FCAEMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001685321100 1292498319 /nfs/dbraw/zinc/49/83/19/1292498319.db2.gz LMLPIOWHBMTCCB-CVEARBPZSA-N 2 1 350.507 0.920 10 0 FCAEMP C[NH+](C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@]2(C)C1 ZINC001685567356 1292560574 /nfs/dbraw/zinc/56/05/74/1292560574.db2.gz VDFIXOKLGFZOOS-DBVUQKKJSA-N 2 1 362.518 0.731 10 0 FCAEMP