smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159966072 524777924 /nfs/dbraw/zinc/77/79/24/524777924.db2.gz CMTZVDAOHIPVNL-MJGOQNOKSA-N 2 1 362.518 1.727 20 70 FDIDMP CN(C)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000160011909 524789482 /nfs/dbraw/zinc/78/94/82/524789482.db2.gz GOUBWTUNNXUAMT-UHFFFAOYSA-N 2 1 353.555 1.528 20 70 FDIDMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160194651 524829755 /nfs/dbraw/zinc/82/97/55/524829755.db2.gz LEZZRQBUTLHBDV-UHFFFAOYSA-N 2 1 367.582 1.776 20 70 FDIDMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017411 524789605 /nfs/dbraw/zinc/78/96/05/524789605.db2.gz ZDWBMPFYFJQQDK-AZUAARDMSA-N 2 1 374.529 1.919 20 70 FDIDMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017411 524789616 /nfs/dbraw/zinc/78/96/16/524789616.db2.gz ZDWBMPFYFJQQDK-AZUAARDMSA-N 2 1 374.529 1.919 20 70 FDIDMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160709345 524953292 /nfs/dbraw/zinc/95/32/92/524953292.db2.gz JKKSPUXAFHUFBG-DZGCQCFKSA-N 2 1 359.312 1.861 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000160911741 524993902 /nfs/dbraw/zinc/99/39/02/524993902.db2.gz PAIBECULPSSCGI-IBGZPJMESA-N 2 1 368.566 1.985 20 70 FDIDMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000160911741 524993908 /nfs/dbraw/zinc/99/39/08/524993908.db2.gz PAIBECULPSSCGI-IBGZPJMESA-N 2 1 368.566 1.985 20 70 FDIDMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000160911741 524993916 /nfs/dbraw/zinc/99/39/16/524993916.db2.gz PAIBECULPSSCGI-IBGZPJMESA-N 2 1 368.566 1.985 20 70 FDIDMP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159619547 524711380 /nfs/dbraw/zinc/71/13/80/524711380.db2.gz WXVMZEBMEVCCBC-ROUUACIJSA-N 2 1 367.534 1.231 20 70 FDIDMP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159619547 524711392 /nfs/dbraw/zinc/71/13/92/524711392.db2.gz WXVMZEBMEVCCBC-ROUUACIJSA-N 2 1 367.534 1.231 20 70 FDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)cc1 ZINC000160758855 524965548 /nfs/dbraw/zinc/96/55/48/524965548.db2.gz AQAJRPUQFMNZSV-DOTOQJQBSA-N 2 1 354.516 1.978 20 70 FDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)cc1 ZINC000160758989 524966813 /nfs/dbraw/zinc/96/68/13/524966813.db2.gz AQAJRPUQFMNZSV-NVXWUHKLSA-N 2 1 354.516 1.978 20 70 FDIDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@@H+](C)CCN1C(=O)CNC1=O ZINC000159493333 524684426 /nfs/dbraw/zinc/68/44/26/524684426.db2.gz UBDQMHWPQVOUDM-HOTGVXAUSA-N 2 1 358.486 1.627 20 70 FDIDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160833769 524979818 /nfs/dbraw/zinc/97/98/18/524979818.db2.gz QTLOLOUTSHSEBR-QGZVFWFLSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160833769 524979828 /nfs/dbraw/zinc/97/98/28/524979828.db2.gz QTLOLOUTSHSEBR-QGZVFWFLSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160833769 524979838 /nfs/dbraw/zinc/97/98/38/524979838.db2.gz QTLOLOUTSHSEBR-QGZVFWFLSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160833769 524979849 /nfs/dbraw/zinc/97/98/49/524979849.db2.gz QTLOLOUTSHSEBR-QGZVFWFLSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160833769 524979859 /nfs/dbraw/zinc/97/98/59/524979859.db2.gz QTLOLOUTSHSEBR-QGZVFWFLSA-N 2 1 365.566 1.671 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000160991440 525011011 /nfs/dbraw/zinc/01/10/11/525011011.db2.gz GHLSJCOECDNMPO-MOPGFXCFSA-N 2 1 368.566 1.889 20 70 FDIDMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1ccccc1 ZINC000160177901 524825528 /nfs/dbraw/zinc/82/55/28/524825528.db2.gz XTIJTKWTCZRFAO-GUDVDZBRSA-N 2 1 372.513 1.396 20 70 FDIDMP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160717253 524956722 /nfs/dbraw/zinc/95/67/22/524956722.db2.gz YMSPWKWODPFILM-NVXWUHKLSA-N 2 1 369.531 1.482 20 70 FDIDMP CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000159521126 524689091 /nfs/dbraw/zinc/68/90/91/524689091.db2.gz QUXCWKZXQRNLMZ-HKUYNNGSSA-N 2 1 360.502 1.206 20 70 FDIDMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](CC)CC2)[C@@H](C)C1 ZINC000159868693 524757876 /nfs/dbraw/zinc/75/78/76/524757876.db2.gz IFIPCXCHCXZRRA-ZWKOTPCHSA-N 2 1 354.539 1.861 20 70 FDIDMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)[C@@H](C)C1 ZINC000159868693 524757883 /nfs/dbraw/zinc/75/78/83/524757883.db2.gz IFIPCXCHCXZRRA-ZWKOTPCHSA-N 2 1 354.539 1.861 20 70 FDIDMP CCOCCC[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](CC)CC2)[C@@H](C)C1 ZINC000159868693 524757892 /nfs/dbraw/zinc/75/78/92/524757892.db2.gz IFIPCXCHCXZRRA-ZWKOTPCHSA-N 2 1 354.539 1.861 20 70 FDIDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000159936335 524771710 /nfs/dbraw/zinc/77/17/10/524771710.db2.gz NEWIRPNHQJBPQP-DZGCQCFKSA-N 2 1 365.440 1.564 20 70 FDIDMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1CCOC ZINC000160829466 524978216 /nfs/dbraw/zinc/97/82/16/524978216.db2.gz ZBCGJHLCZDPUOM-IAGOWNOFSA-N 2 1 352.523 1.756 20 70 FDIDMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1CCOC ZINC000160829466 524978227 /nfs/dbraw/zinc/97/82/27/524978227.db2.gz ZBCGJHLCZDPUOM-IAGOWNOFSA-N 2 1 352.523 1.756 20 70 FDIDMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1CCOC ZINC000160829466 524978237 /nfs/dbraw/zinc/97/82/37/524978237.db2.gz ZBCGJHLCZDPUOM-IAGOWNOFSA-N 2 1 352.523 1.756 20 70 FDIDMP CC[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1CCOC ZINC000160829600 524980010 /nfs/dbraw/zinc/98/00/10/524980010.db2.gz ZBCGJHLCZDPUOM-SJORKVTESA-N 2 1 352.523 1.756 20 70 FDIDMP CC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1CCOC ZINC000160829600 524980014 /nfs/dbraw/zinc/98/00/14/524980014.db2.gz ZBCGJHLCZDPUOM-SJORKVTESA-N 2 1 352.523 1.756 20 70 FDIDMP CC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1CCOC ZINC000160829600 524980027 /nfs/dbraw/zinc/98/00/27/524980027.db2.gz ZBCGJHLCZDPUOM-SJORKVTESA-N 2 1 352.523 1.756 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000159524295 524688788 /nfs/dbraw/zinc/68/87/88/524688788.db2.gz QBAHYXGMDDYAJB-UHFFFAOYSA-N 2 1 352.523 1.759 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000159524295 524688801 /nfs/dbraw/zinc/68/88/01/524688801.db2.gz QBAHYXGMDDYAJB-UHFFFAOYSA-N 2 1 352.523 1.759 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159536834 524692030 /nfs/dbraw/zinc/69/20/30/524692030.db2.gz CCUCCOHAVPQCMN-UHFFFAOYSA-N 2 1 373.545 1.541 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160011903 524789051 /nfs/dbraw/zinc/78/90/51/524789051.db2.gz XCMLNVQYHYYQLU-ROUUACIJSA-N 2 1 352.523 1.492 20 70 FDIDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000160674053 524943982 /nfs/dbraw/zinc/94/39/82/524943982.db2.gz XLTPAPHPJHNLOQ-KRWDZBQOSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160674053 524943992 /nfs/dbraw/zinc/94/39/92/524943992.db2.gz XLTPAPHPJHNLOQ-KRWDZBQOSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160674053 524944003 /nfs/dbraw/zinc/94/40/03/524944003.db2.gz XLTPAPHPJHNLOQ-KRWDZBQOSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160674053 524944015 /nfs/dbraw/zinc/94/40/15/524944015.db2.gz XLTPAPHPJHNLOQ-KRWDZBQOSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160674053 524944027 /nfs/dbraw/zinc/94/40/27/524944027.db2.gz XLTPAPHPJHNLOQ-KRWDZBQOSA-N 2 1 351.539 1.138 20 70 FDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000159675221 524718384 /nfs/dbraw/zinc/71/83/84/524718384.db2.gz NAQKNJNFZPRULB-PXNSSMCTSA-N 2 1 374.529 1.510 20 70 FDIDMP CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000161019419 525016609 /nfs/dbraw/zinc/01/66/09/525016609.db2.gz DQKSOMBUEFJLNS-ZWKOTPCHSA-N 2 1 364.534 1.167 20 70 FDIDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000159936469 524770768 /nfs/dbraw/zinc/77/07/68/524770768.db2.gz NEWIRPNHQJBPQP-UKRRQHHQSA-N 2 1 365.440 1.564 20 70 FDIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160312883 524856249 /nfs/dbraw/zinc/85/62/49/524856249.db2.gz BJSCCRAJRRJFBY-GOSISDBHSA-N 2 1 367.534 1.447 20 70 FDIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000160312883 524856260 /nfs/dbraw/zinc/85/62/60/524856260.db2.gz BJSCCRAJRRJFBY-GOSISDBHSA-N 2 1 367.534 1.447 20 70 FDIDMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000159465244 524676245 /nfs/dbraw/zinc/67/62/45/524676245.db2.gz NHZFKOWWXSAVQR-PKOBYXMFSA-N 2 1 370.501 1.409 20 70 FDIDMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)N1CC[NH+](C)CC1 ZINC000159905160 524764706 /nfs/dbraw/zinc/76/47/06/524764706.db2.gz CPRCAYQPJFVAKA-IBGZPJMESA-N 2 1 367.582 1.774 20 70 FDIDMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCNC1=O ZINC000161192345 525052305 /nfs/dbraw/zinc/05/23/05/525052305.db2.gz PGVKOCVVXDFDOE-HNNXBMFYSA-N 2 1 373.501 1.817 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000160093008 524808278 /nfs/dbraw/zinc/80/82/78/524808278.db2.gz LRKJRENTKJWJQN-SFHVURJKSA-N 2 1 352.523 1.756 20 70 FDIDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000160384842 524876532 /nfs/dbraw/zinc/87/65/32/524876532.db2.gz CUGWBEOHKMQERM-FUHWJXTLSA-N 2 1 352.523 1.469 20 70 FDIDMP CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881563 524989070 /nfs/dbraw/zinc/98/90/70/524989070.db2.gz JIHLPIHQUAMIDS-IEBWSBKVSA-N 2 1 363.550 1.425 20 70 FDIDMP CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC000160881563 524989083 /nfs/dbraw/zinc/98/90/83/524989083.db2.gz JIHLPIHQUAMIDS-IEBWSBKVSA-N 2 1 363.550 1.425 20 70 FDIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160312779 524857011 /nfs/dbraw/zinc/85/70/11/524857011.db2.gz BJSCCRAJRRJFBY-SFHVURJKSA-N 2 1 367.534 1.447 20 70 FDIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000160312779 524857022 /nfs/dbraw/zinc/85/70/22/524857022.db2.gz BJSCCRAJRRJFBY-SFHVURJKSA-N 2 1 367.534 1.447 20 70 FDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160585848 524922681 /nfs/dbraw/zinc/92/26/81/524922681.db2.gz OMHVZTVQFKDOJF-HXUWFJFHSA-N 2 1 359.514 1.719 20 70 FDIDMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017273 524788855 /nfs/dbraw/zinc/78/88/55/524788855.db2.gz ZDWBMPFYFJQQDK-QUCCMNQESA-N 2 1 374.529 1.919 20 70 FDIDMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017273 524788866 /nfs/dbraw/zinc/78/88/66/524788866.db2.gz ZDWBMPFYFJQQDK-QUCCMNQESA-N 2 1 374.529 1.919 20 70 FDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160585716 524922700 /nfs/dbraw/zinc/92/27/00/524922700.db2.gz OMHVZTVQFKDOJF-FQEVSTJZSA-N 2 1 359.514 1.719 20 70 FDIDMP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160717127 524955746 /nfs/dbraw/zinc/95/57/46/524955746.db2.gz YMSPWKWODPFILM-DOTOQJQBSA-N 2 1 369.531 1.482 20 70 FDIDMP CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000159520977 524689200 /nfs/dbraw/zinc/68/92/00/524689200.db2.gz QUXCWKZXQRNLMZ-MJGOQNOKSA-N 2 1 360.502 1.206 20 70 FDIDMP CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881833 524988228 /nfs/dbraw/zinc/98/82/28/524988228.db2.gz JIHLPIHQUAMIDS-PKOBYXMFSA-N 2 1 363.550 1.425 20 70 FDIDMP CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC000160881833 524988238 /nfs/dbraw/zinc/98/82/38/524988238.db2.gz JIHLPIHQUAMIDS-PKOBYXMFSA-N 2 1 363.550 1.425 20 70 FDIDMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](CC)CC2)[C@@H](C)C1 ZINC000159868830 524758061 /nfs/dbraw/zinc/75/80/61/524758061.db2.gz IFIPCXCHCXZRRA-ROUUACIJSA-N 2 1 354.539 1.861 20 70 FDIDMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](CC)CC2)[C@@H](C)C1 ZINC000159868830 524758066 /nfs/dbraw/zinc/75/80/66/524758066.db2.gz IFIPCXCHCXZRRA-ROUUACIJSA-N 2 1 354.539 1.861 20 70 FDIDMP CCOCCC[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](CC)CC2)[C@@H](C)C1 ZINC000159868830 524758078 /nfs/dbraw/zinc/75/80/78/524758078.db2.gz IFIPCXCHCXZRRA-ROUUACIJSA-N 2 1 354.539 1.861 20 70 FDIDMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159756039 524732588 /nfs/dbraw/zinc/73/25/88/524732588.db2.gz CMNOIOHALMNPSP-UHFFFAOYSA-N 2 1 370.541 1.795 20 70 FDIDMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159458474 524674945 /nfs/dbraw/zinc/67/49/45/524674945.db2.gz MRYSBZCSHRQYLA-MSOLQXFVSA-N 2 1 354.539 1.909 20 70 FDIDMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159458474 524674958 /nfs/dbraw/zinc/67/49/58/524674958.db2.gz MRYSBZCSHRQYLA-MSOLQXFVSA-N 2 1 354.539 1.909 20 70 FDIDMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544791 524693801 /nfs/dbraw/zinc/69/38/01/524693801.db2.gz FLPHVZZBJZRZOB-LEAZDLGRSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544791 524693812 /nfs/dbraw/zinc/69/38/12/524693812.db2.gz FLPHVZZBJZRZOB-LEAZDLGRSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544791 524693821 /nfs/dbraw/zinc/69/38/21/524693821.db2.gz FLPHVZZBJZRZOB-LEAZDLGRSA-N 2 1 359.514 1.858 20 70 FDIDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000160833894 524980127 /nfs/dbraw/zinc/98/01/27/524980127.db2.gz QTLOLOUTSHSEBR-KRWDZBQOSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160833894 524980131 /nfs/dbraw/zinc/98/01/31/524980131.db2.gz QTLOLOUTSHSEBR-KRWDZBQOSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160833894 524980147 /nfs/dbraw/zinc/98/01/47/524980147.db2.gz QTLOLOUTSHSEBR-KRWDZBQOSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160833894 524980152 /nfs/dbraw/zinc/98/01/52/524980152.db2.gz QTLOLOUTSHSEBR-KRWDZBQOSA-N 2 1 365.566 1.671 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160833894 524980163 /nfs/dbraw/zinc/98/01/63/524980163.db2.gz QTLOLOUTSHSEBR-KRWDZBQOSA-N 2 1 365.566 1.671 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000161004956 525015422 /nfs/dbraw/zinc/01/54/22/525015422.db2.gz VWMQLHBGHKSPLU-ROUUACIJSA-N 2 1 354.539 1.643 20 70 FDIDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161195296 525051576 /nfs/dbraw/zinc/05/15/76/525051576.db2.gz YTECYFLOTQYGOC-UHFFFAOYSA-N 2 1 352.567 1.840 20 70 FDIDMP COc1ccc(N2C(=O)C[C@H]([N@H+](C)CCCn3cc[nH+]c3C)C2=O)cn1 ZINC000160257684 524843353 /nfs/dbraw/zinc/84/33/53/524843353.db2.gz UELHIUUQGUHYAW-HNNXBMFYSA-N 2 1 357.414 1.249 20 70 FDIDMP COc1ccc(N2C(=O)C[C@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2=O)cn1 ZINC000160257684 524843362 /nfs/dbraw/zinc/84/33/62/524843362.db2.gz UELHIUUQGUHYAW-HNNXBMFYSA-N 2 1 357.414 1.249 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000160063829 524800429 /nfs/dbraw/zinc/80/04/29/524800429.db2.gz MFILNXRCZDICBM-ZWKOTPCHSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000160063829 524800442 /nfs/dbraw/zinc/80/04/42/524800442.db2.gz MFILNXRCZDICBM-ZWKOTPCHSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000160063829 524800445 /nfs/dbraw/zinc/80/04/45/524800445.db2.gz MFILNXRCZDICBM-ZWKOTPCHSA-N 2 1 354.539 1.861 20 70 FDIDMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160401876 524878935 /nfs/dbraw/zinc/87/89/35/524878935.db2.gz ZQQXNDHGDJARJO-IEBWSBKVSA-N 2 1 362.518 1.869 20 70 FDIDMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160677027 524945035 /nfs/dbraw/zinc/94/50/35/524945035.db2.gz YPEMKMNWNUWSEA-FQEVSTJZSA-N 2 1 374.529 1.011 20 70 FDIDMP C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159586890 524701216 /nfs/dbraw/zinc/70/12/16/524701216.db2.gz PRBZZFPRXOKNRK-ROUUACIJSA-N 2 1 362.518 1.774 20 70 FDIDMP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159586890 524701223 /nfs/dbraw/zinc/70/12/23/524701223.db2.gz PRBZZFPRXOKNRK-ROUUACIJSA-N 2 1 362.518 1.774 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159931418 524770667 /nfs/dbraw/zinc/77/06/67/524770667.db2.gz LUFKSYDOBKNVES-AZUAARDMSA-N 2 1 374.529 1.871 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159931418 524770672 /nfs/dbraw/zinc/77/06/72/524770672.db2.gz LUFKSYDOBKNVES-AZUAARDMSA-N 2 1 374.529 1.871 20 70 FDIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)N([C@@H](C)c2cccnc2)C1=O ZINC000160259146 524844290 /nfs/dbraw/zinc/84/42/90/524844290.db2.gz VCRYVGMMUVETNO-YOEHRIQHSA-N 2 1 355.442 1.797 20 70 FDIDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC(=O)N([C@@H](C)c2cccnc2)C1=O ZINC000160259146 524844301 /nfs/dbraw/zinc/84/43/01/524844301.db2.gz VCRYVGMMUVETNO-YOEHRIQHSA-N 2 1 355.442 1.797 20 70 FDIDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCOCC1 ZINC000159459950 524673896 /nfs/dbraw/zinc/67/38/96/524673896.db2.gz MPWLVKXRXHXUFO-MJGOQNOKSA-N 2 1 360.502 1.528 20 70 FDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCOCC1 ZINC000159459950 524673904 /nfs/dbraw/zinc/67/39/04/524673904.db2.gz MPWLVKXRXHXUFO-MJGOQNOKSA-N 2 1 360.502 1.528 20 70 FDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160086978 524804381 /nfs/dbraw/zinc/80/43/81/524804381.db2.gz BAUFRLSZBDXZFE-RBUKOAKNSA-N 2 1 363.477 1.753 20 70 FDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160086978 524804395 /nfs/dbraw/zinc/80/43/95/524804395.db2.gz BAUFRLSZBDXZFE-RBUKOAKNSA-N 2 1 363.477 1.753 20 70 FDIDMP COc1ccccc1N1C(=O)C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000160265413 524843803 /nfs/dbraw/zinc/84/38/03/524843803.db2.gz FSLAEFFLJDYAHZ-INIZCTEOSA-N 2 1 356.426 1.854 20 70 FDIDMP COc1ccccc1N1C(=O)C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000160265413 524843812 /nfs/dbraw/zinc/84/38/12/524843812.db2.gz FSLAEFFLJDYAHZ-INIZCTEOSA-N 2 1 356.426 1.854 20 70 FDIDMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160401601 524878573 /nfs/dbraw/zinc/87/85/73/524878573.db2.gz ZQQXNDHGDJARJO-MJGOQNOKSA-N 2 1 362.518 1.869 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000160629410 524933375 /nfs/dbraw/zinc/93/33/75/524933375.db2.gz NLWKPIHULUBQSR-MSOLQXFVSA-N 2 1 354.539 1.861 20 70 FDIDMP C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159586768 524701710 /nfs/dbraw/zinc/70/17/10/524701710.db2.gz PRBZZFPRXOKNRK-QZTJIDSGSA-N 2 1 362.518 1.774 20 70 FDIDMP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159586768 524701717 /nfs/dbraw/zinc/70/17/17/524701717.db2.gz PRBZZFPRXOKNRK-QZTJIDSGSA-N 2 1 362.518 1.774 20 70 FDIDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000160309493 524856006 /nfs/dbraw/zinc/85/60/06/524856006.db2.gz MXQROARGYDJRDX-UHFFFAOYSA-N 2 1 359.518 1.457 20 70 FDIDMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159966207 524777381 /nfs/dbraw/zinc/77/73/81/524777381.db2.gz CMTZVDAOHIPVNL-HKUYNNGSSA-N 2 1 362.518 1.727 20 70 FDIDMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544564 524693409 /nfs/dbraw/zinc/69/34/09/524693409.db2.gz FLPHVZZBJZRZOB-FFGOWVMKSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544564 524693422 /nfs/dbraw/zinc/69/34/22/524693422.db2.gz FLPHVZZBJZRZOB-FFGOWVMKSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544564 524693427 /nfs/dbraw/zinc/69/34/27/524693427.db2.gz FLPHVZZBJZRZOB-FFGOWVMKSA-N 2 1 359.514 1.858 20 70 FDIDMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCOCC1 ZINC000159582741 524701846 /nfs/dbraw/zinc/70/18/46/524701846.db2.gz LPFJJQFQRTYLHO-GOSISDBHSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)[NH+]1CCOCC1 ZINC000159582741 524701851 /nfs/dbraw/zinc/70/18/51/524701851.db2.gz LPFJJQFQRTYLHO-GOSISDBHSA-N 2 1 354.539 1.861 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000159950121 173693628 /nfs/dbraw/zinc/69/36/28/173693628.db2.gz OZLCPLHULPQEAJ-UHFFFAOYSA-N 2 1 374.529 1.881 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159931560 524770597 /nfs/dbraw/zinc/77/05/97/524770597.db2.gz LUFKSYDOBKNVES-ICSRJNTNSA-N 2 1 374.529 1.871 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159931560 524770603 /nfs/dbraw/zinc/77/06/03/524770603.db2.gz LUFKSYDOBKNVES-ICSRJNTNSA-N 2 1 374.529 1.871 20 70 FDIDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160736673 524960060 /nfs/dbraw/zinc/96/00/60/524960060.db2.gz LKMNDXYHCOUHSK-ZRNYENFQSA-N 3 1 353.551 1.702 20 70 FDIDMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160736673 524960066 /nfs/dbraw/zinc/96/00/66/524960066.db2.gz LKMNDXYHCOUHSK-ZRNYENFQSA-N 3 1 353.551 1.702 20 70 FDIDMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160736673 524960074 /nfs/dbraw/zinc/96/00/74/524960074.db2.gz LKMNDXYHCOUHSK-ZRNYENFQSA-N 3 1 353.551 1.702 20 70 FDIDMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160736673 524960082 /nfs/dbraw/zinc/96/00/82/524960082.db2.gz LKMNDXYHCOUHSK-ZRNYENFQSA-N 2 1 353.551 1.702 20 70 FDIDMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160736673 524960094 /nfs/dbraw/zinc/96/00/94/524960094.db2.gz LKMNDXYHCOUHSK-ZRNYENFQSA-N 2 1 353.551 1.702 20 70 FDIDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160801146 524973472 /nfs/dbraw/zinc/97/34/72/524973472.db2.gz BMULZTSMWDHHOY-QWFCFKBJSA-N 2 1 367.534 1.086 20 70 FDIDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160801146 524973485 /nfs/dbraw/zinc/97/34/85/524973485.db2.gz BMULZTSMWDHHOY-QWFCFKBJSA-N 2 1 367.534 1.086 20 70 FDIDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160801146 524973493 /nfs/dbraw/zinc/97/34/93/524973493.db2.gz BMULZTSMWDHHOY-QWFCFKBJSA-N 2 1 367.534 1.086 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000161004814 525015061 /nfs/dbraw/zinc/01/50/61/525015061.db2.gz VWMQLHBGHKSPLU-MSOLQXFVSA-N 2 1 354.539 1.643 20 70 FDIDMP CNC(=O)NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161197061 525052148 /nfs/dbraw/zinc/05/21/48/525052148.db2.gz QTEZJQYGXGIOOY-CQSZACIVSA-N 2 1 361.490 1.721 20 70 FDIDMP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000160433250 524886640 /nfs/dbraw/zinc/88/66/40/524886640.db2.gz AOHSQWLYTOKZDS-IBGZPJMESA-N 2 1 365.566 1.674 20 70 FDIDMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160486355 524899338 /nfs/dbraw/zinc/89/93/38/524899338.db2.gz HGPZLLUWKCLDPT-BDXSIMOUSA-N 2 1 355.523 1.083 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160961909 525004029 /nfs/dbraw/zinc/00/40/29/525004029.db2.gz PEESOIYRTHVXPK-KRWDZBQOSA-N 2 1 354.539 1.595 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000159772941 524736599 /nfs/dbraw/zinc/73/65/99/524736599.db2.gz WCQZCKWAHAJDMR-UHFFFAOYSA-N 2 1 360.506 1.071 20 70 FDIDMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017121 524790065 /nfs/dbraw/zinc/79/00/65/524790065.db2.gz ZDWBMPFYFJQQDK-ICSRJNTNSA-N 2 1 374.529 1.919 20 70 FDIDMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017121 524790074 /nfs/dbraw/zinc/79/00/74/524790074.db2.gz ZDWBMPFYFJQQDK-ICSRJNTNSA-N 2 1 374.529 1.919 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041418 524794432 /nfs/dbraw/zinc/79/44/32/524794432.db2.gz ITSKOWQQAWYBML-HKUYNNGSSA-N 2 1 360.502 1.623 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160041418 524794439 /nfs/dbraw/zinc/79/44/39/524794439.db2.gz ITSKOWQQAWYBML-HKUYNNGSSA-N 2 1 360.502 1.623 20 70 FDIDMP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)CC2)CCO1 ZINC000160786238 524970840 /nfs/dbraw/zinc/97/08/40/524970840.db2.gz LRMCEAGUIYZADC-IAGOWNOFSA-N 2 1 364.534 1.898 20 70 FDIDMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159458318 524674375 /nfs/dbraw/zinc/67/43/75/524674375.db2.gz MRYSBZCSHRQYLA-QZTJIDSGSA-N 2 1 354.539 1.909 20 70 FDIDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159458318 524674383 /nfs/dbraw/zinc/67/43/83/524674383.db2.gz MRYSBZCSHRQYLA-QZTJIDSGSA-N 2 1 354.539 1.909 20 70 FDIDMP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H]1CCC[C@@H]1O ZINC000159619695 524711640 /nfs/dbraw/zinc/71/16/40/524711640.db2.gz WXVMZEBMEVCCBC-MSOLQXFVSA-N 2 1 367.534 1.231 20 70 FDIDMP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H]1CCC[C@@H]1O ZINC000159619695 524711647 /nfs/dbraw/zinc/71/16/47/524711647.db2.gz WXVMZEBMEVCCBC-MSOLQXFVSA-N 2 1 367.534 1.231 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159644324 524713203 /nfs/dbraw/zinc/71/32/03/524713203.db2.gz FOJBOHLUWZNLAC-IBGZPJMESA-N 2 1 373.545 1.934 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159644324 524713212 /nfs/dbraw/zinc/71/32/12/524713212.db2.gz FOJBOHLUWZNLAC-IBGZPJMESA-N 2 1 373.545 1.934 20 70 FDIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160199104 524829064 /nfs/dbraw/zinc/82/90/64/524829064.db2.gz WGFWZCQCKHNMPH-UYAOXDASSA-N 3 1 354.583 1.739 20 70 FDIDMP CCOCCCN1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160199104 524829074 /nfs/dbraw/zinc/82/90/74/524829074.db2.gz WGFWZCQCKHNMPH-UYAOXDASSA-N 2 1 354.583 1.739 20 70 FDIDMP COc1ccccc1N1C(=O)C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000160265282 524843850 /nfs/dbraw/zinc/84/38/50/524843850.db2.gz FSLAEFFLJDYAHZ-MRXNPFEDSA-N 2 1 356.426 1.854 20 70 FDIDMP COc1ccccc1N1C(=O)C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000160265282 524843862 /nfs/dbraw/zinc/84/38/62/524843862.db2.gz FSLAEFFLJDYAHZ-MRXNPFEDSA-N 2 1 356.426 1.854 20 70 FDIDMP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160842963 524982601 /nfs/dbraw/zinc/98/26/01/524982601.db2.gz NAVFHXUQXOOZQV-SJLPKXTDSA-N 2 1 352.523 1.395 20 70 FDIDMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000161019062 258263321 /nfs/dbraw/zinc/26/33/21/258263321.db2.gz DQKSOMBUEFJLNS-MSOLQXFVSA-N 2 1 364.534 1.167 20 70 FDIDMP C[N@@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCSC1 ZINC000159489221 524682982 /nfs/dbraw/zinc/68/29/82/524682982.db2.gz VCNPNRMEAQDTCQ-ZACQAIPSSA-N 2 1 355.548 1.308 20 70 FDIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160199016 524829672 /nfs/dbraw/zinc/82/96/72/524829672.db2.gz WGFWZCQCKHNMPH-QUCCMNQESA-N 3 1 354.583 1.739 20 70 FDIDMP CCOCCCN1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160199016 524829682 /nfs/dbraw/zinc/82/96/82/524829682.db2.gz WGFWZCQCKHNMPH-QUCCMNQESA-N 2 1 354.583 1.739 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000160911633 524995374 /nfs/dbraw/zinc/99/53/74/524995374.db2.gz PAIBECULPSSCGI-LJQANCHMSA-N 2 1 368.566 1.985 20 70 FDIDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000160911633 524995383 /nfs/dbraw/zinc/99/53/83/524995383.db2.gz PAIBECULPSSCGI-LJQANCHMSA-N 2 1 368.566 1.985 20 70 FDIDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000160911633 524995394 /nfs/dbraw/zinc/99/53/94/524995394.db2.gz PAIBECULPSSCGI-LJQANCHMSA-N 2 1 368.566 1.985 20 70 FDIDMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000160675831 524944965 /nfs/dbraw/zinc/94/49/65/524944965.db2.gz ZRBWUGBPBUFYHZ-MOPGFXCFSA-N 2 1 363.550 1.282 20 70 FDIDMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160675831 524944978 /nfs/dbraw/zinc/94/49/78/524944978.db2.gz ZRBWUGBPBUFYHZ-MOPGFXCFSA-N 2 1 363.550 1.282 20 70 FDIDMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160675831 524944988 /nfs/dbraw/zinc/94/49/88/524944988.db2.gz ZRBWUGBPBUFYHZ-MOPGFXCFSA-N 2 1 363.550 1.282 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC[N@H+]1CCOC ZINC000161406807 525101147 /nfs/dbraw/zinc/10/11/47/525101147.db2.gz KJNMOONEQAVHCQ-AEFFLSMTSA-N 2 1 365.522 1.970 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000161406807 525101162 /nfs/dbraw/zinc/10/11/62/525101162.db2.gz KJNMOONEQAVHCQ-AEFFLSMTSA-N 2 1 365.522 1.970 20 70 FDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000159675112 524719795 /nfs/dbraw/zinc/71/97/95/524719795.db2.gz NAQKNJNFZPRULB-XLIONFOSSA-N 2 1 374.529 1.510 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041587 524793494 /nfs/dbraw/zinc/79/34/94/524793494.db2.gz ITSKOWQQAWYBML-PKOBYXMFSA-N 2 1 360.502 1.623 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160041587 524793502 /nfs/dbraw/zinc/79/35/02/524793502.db2.gz ITSKOWQQAWYBML-PKOBYXMFSA-N 2 1 360.502 1.623 20 70 FDIDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160251720 524840636 /nfs/dbraw/zinc/84/06/36/524840636.db2.gz DQJJDBHYXJZTRJ-HOJAQTOUSA-N 3 1 352.567 1.491 20 70 FDIDMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160251720 524840646 /nfs/dbraw/zinc/84/06/46/524840646.db2.gz DQJJDBHYXJZTRJ-HOJAQTOUSA-N 2 1 352.567 1.491 20 70 FDIDMP CNC(=O)NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161196945 525051993 /nfs/dbraw/zinc/05/19/93/525051993.db2.gz QTEZJQYGXGIOOY-AWEZNQCLSA-N 2 1 361.490 1.721 20 70 FDIDMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCNC1=O ZINC000161192461 525052623 /nfs/dbraw/zinc/05/26/23/525052623.db2.gz PGVKOCVVXDFDOE-OAHLLOKOSA-N 2 1 373.501 1.817 20 70 FDIDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161493005 525117066 /nfs/dbraw/zinc/11/70/66/525117066.db2.gz LTJJLOFABMDJAX-LBPRGKRZSA-N 2 1 358.255 1.875 20 70 FDIDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161493005 525117071 /nfs/dbraw/zinc/11/70/71/525117071.db2.gz LTJJLOFABMDJAX-LBPRGKRZSA-N 2 1 358.255 1.875 20 70 FDIDMP CN(C)c1nc(N2CCN(CC[N@H+](C)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000159776898 524736516 /nfs/dbraw/zinc/73/65/16/524736516.db2.gz LLYDLDRILCNMET-UHFFFAOYSA-N 2 1 372.492 1.936 20 70 FDIDMP CN(C)c1nc(N2CCN(CC[N@@H+](C)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000159776898 524736521 /nfs/dbraw/zinc/73/65/21/524736521.db2.gz LLYDLDRILCNMET-UHFFFAOYSA-N 2 1 372.492 1.936 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041495 524794372 /nfs/dbraw/zinc/79/43/72/524794372.db2.gz ITSKOWQQAWYBML-IEBWSBKVSA-N 2 1 360.502 1.623 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160041495 524794385 /nfs/dbraw/zinc/79/43/85/524794385.db2.gz ITSKOWQQAWYBML-IEBWSBKVSA-N 2 1 360.502 1.623 20 70 FDIDMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH+](C4CCCC4)C3)CC2)cn1 ZINC000160854459 524984098 /nfs/dbraw/zinc/98/40/98/524984098.db2.gz FEFKKPUEBTZBAO-SFHVURJKSA-N 2 1 374.533 1.654 20 70 FDIDMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH+](C4CCCC4)C3)CC2)cn1 ZINC000160854459 524984106 /nfs/dbraw/zinc/98/41/06/524984106.db2.gz FEFKKPUEBTZBAO-SFHVURJKSA-N 2 1 374.533 1.654 20 70 FDIDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160854459 524984118 /nfs/dbraw/zinc/98/41/18/524984118.db2.gz FEFKKPUEBTZBAO-SFHVURJKSA-N 2 1 374.533 1.654 20 70 FDIDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC000160854459 524984127 /nfs/dbraw/zinc/98/41/27/524984127.db2.gz FEFKKPUEBTZBAO-SFHVURJKSA-N 2 1 374.533 1.654 20 70 FDIDMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159553757 524694817 /nfs/dbraw/zinc/69/48/17/524694817.db2.gz HUPVTAFVVQEJEC-ROUUACIJSA-N 2 1 352.523 1.757 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000159951897 524775307 /nfs/dbraw/zinc/77/53/07/524775307.db2.gz LGBFFRPCQVIVBB-UHFFFAOYSA-N 2 1 360.506 1.799 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000159951897 524775315 /nfs/dbraw/zinc/77/53/15/524775315.db2.gz LGBFFRPCQVIVBB-UHFFFAOYSA-N 2 1 360.506 1.799 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000159785085 524737956 /nfs/dbraw/zinc/73/79/56/524737956.db2.gz TWRFRNDZNBEJRP-UHFFFAOYSA-N 2 1 351.539 1.282 20 70 FDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000159966776 524778386 /nfs/dbraw/zinc/77/83/86/524778386.db2.gz MGVLVTQIJNEOIT-HKUYNNGSSA-N 2 1 374.529 1.605 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000159599411 524705441 /nfs/dbraw/zinc/70/54/41/524705441.db2.gz YEBLDGBYNZIBPQ-UHFFFAOYSA-N 2 1 373.545 1.671 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000159599411 524705446 /nfs/dbraw/zinc/70/54/46/524705446.db2.gz YEBLDGBYNZIBPQ-UHFFFAOYSA-N 2 1 373.545 1.671 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000159599411 524705456 /nfs/dbraw/zinc/70/54/56/524705456.db2.gz YEBLDGBYNZIBPQ-UHFFFAOYSA-N 2 1 373.545 1.671 20 70 FDIDMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544682 524692281 /nfs/dbraw/zinc/69/22/81/524692281.db2.gz FLPHVZZBJZRZOB-MDNKFWRPSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544682 524692291 /nfs/dbraw/zinc/69/22/91/524692291.db2.gz FLPHVZZBJZRZOB-MDNKFWRPSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544682 524692299 /nfs/dbraw/zinc/69/22/99/524692299.db2.gz FLPHVZZBJZRZOB-MDNKFWRPSA-N 2 1 359.514 1.858 20 70 FDIDMP C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCN(Cc3ccccn3)CC1)C2 ZINC000160432522 524887216 /nfs/dbraw/zinc/88/72/16/524887216.db2.gz OUAUKNPJOFLTII-YQQQUEKLSA-N 2 1 357.502 1.924 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000160991032 525010946 /nfs/dbraw/zinc/01/09/46/525010946.db2.gz GHLSJCOECDNMPO-RBUKOAKNSA-N 2 1 368.566 1.889 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000160998825 525011946 /nfs/dbraw/zinc/01/19/46/525011946.db2.gz DQQHFESTELREIE-IBGZPJMESA-N 3 1 367.582 1.822 20 70 FDIDMP CC1(C)CC(NC2CC[NH+](CCN3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000159626185 524710574 /nfs/dbraw/zinc/71/05/74/524710574.db2.gz MGBQQADOUBWNMU-UHFFFAOYSA-N 2 1 352.567 1.682 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000160441477 524889001 /nfs/dbraw/zinc/88/90/01/524889001.db2.gz XQUISLUPHJGDAD-WMZOPIPTSA-N 2 1 352.523 1.613 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000160441477 524888987 /nfs/dbraw/zinc/88/89/87/524888987.db2.gz XQUISLUPHJGDAD-WMZOPIPTSA-N 2 1 352.523 1.613 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000160441477 524888996 /nfs/dbraw/zinc/88/89/96/524888996.db2.gz XQUISLUPHJGDAD-WMZOPIPTSA-N 2 1 352.523 1.613 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160973834 525006143 /nfs/dbraw/zinc/00/61/43/525006143.db2.gz ZNUMVKNUSWGOBJ-SFHVURJKSA-N 2 1 354.539 1.861 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000160973834 525006158 /nfs/dbraw/zinc/00/61/58/525006158.db2.gz ZNUMVKNUSWGOBJ-SFHVURJKSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC(CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCOCC1 ZINC000159582880 524701365 /nfs/dbraw/zinc/70/13/65/524701365.db2.gz LPFJJQFQRTYLHO-SFHVURJKSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC(CC)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)[NH+]1CCOCC1 ZINC000159582880 524701370 /nfs/dbraw/zinc/70/13/70/524701370.db2.gz LPFJJQFQRTYLHO-SFHVURJKSA-N 2 1 354.539 1.861 20 70 FDIDMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000159813487 524742774 /nfs/dbraw/zinc/74/27/74/524742774.db2.gz LBACGJRNNGGCMM-UXHICEINSA-N 2 1 359.514 1.991 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159898798 524761376 /nfs/dbraw/zinc/76/13/76/524761376.db2.gz KBEDLFDDBNCRLS-LJQANCHMSA-N 2 1 373.545 1.934 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159898798 524761388 /nfs/dbraw/zinc/76/13/88/524761388.db2.gz KBEDLFDDBNCRLS-LJQANCHMSA-N 2 1 373.545 1.934 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159944639 524773754 /nfs/dbraw/zinc/77/37/54/524773754.db2.gz IVTOHNFBPDLYSH-HKUYNNGSSA-N 2 1 360.502 1.481 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159944639 524773763 /nfs/dbraw/zinc/77/37/63/524773763.db2.gz IVTOHNFBPDLYSH-HKUYNNGSSA-N 2 1 360.502 1.481 20 70 FDIDMP CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881712 524987622 /nfs/dbraw/zinc/98/76/22/524987622.db2.gz JIHLPIHQUAMIDS-MJGOQNOKSA-N 2 1 363.550 1.425 20 70 FDIDMP CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC000160881712 524987631 /nfs/dbraw/zinc/98/76/31/524987631.db2.gz JIHLPIHQUAMIDS-MJGOQNOKSA-N 2 1 363.550 1.425 20 70 FDIDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000159465114 524677654 /nfs/dbraw/zinc/67/76/54/524677654.db2.gz NHZFKOWWXSAVQR-HKUYNNGSSA-N 2 1 370.501 1.409 20 70 FDIDMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000159586641 524701954 /nfs/dbraw/zinc/70/19/54/524701954.db2.gz PRBZZFPRXOKNRK-ZWKOTPCHSA-N 2 1 362.518 1.774 20 70 FDIDMP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000159586641 524701964 /nfs/dbraw/zinc/70/19/64/524701964.db2.gz PRBZZFPRXOKNRK-ZWKOTPCHSA-N 2 1 362.518 1.774 20 70 FDIDMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000159844887 524751616 /nfs/dbraw/zinc/75/16/16/524751616.db2.gz NNFHMOHANXMBCK-SFHVURJKSA-N 2 1 354.539 1.859 20 70 FDIDMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160486099 524899816 /nfs/dbraw/zinc/89/98/16/524899816.db2.gz HGPZLLUWKCLDPT-MHORFTMASA-N 2 1 355.523 1.083 20 70 FDIDMP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160486099 524899826 /nfs/dbraw/zinc/89/98/26/524899826.db2.gz HGPZLLUWKCLDPT-MHORFTMASA-N 2 1 355.523 1.083 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000160441360 524889406 /nfs/dbraw/zinc/88/94/06/524889406.db2.gz XQUISLUPHJGDAD-FUHWJXTLSA-N 2 1 352.523 1.613 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000160441360 524889415 /nfs/dbraw/zinc/88/94/15/524889415.db2.gz XQUISLUPHJGDAD-FUHWJXTLSA-N 2 1 352.523 1.613 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000160441360 524889426 /nfs/dbraw/zinc/88/94/26/524889426.db2.gz XQUISLUPHJGDAD-FUHWJXTLSA-N 2 1 352.523 1.613 20 70 FDIDMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160757352 524965019 /nfs/dbraw/zinc/96/50/19/524965019.db2.gz GFCYBEXLMMDEIT-NVXWUHKLSA-N 2 1 369.531 1.482 20 70 FDIDMP CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000161019194 525017669 /nfs/dbraw/zinc/01/76/69/525017669.db2.gz DQKSOMBUEFJLNS-ROUUACIJSA-N 2 1 364.534 1.167 20 70 FDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000159966640 524777946 /nfs/dbraw/zinc/77/79/46/524777946.db2.gz MGVLVTQIJNEOIT-MJGOQNOKSA-N 2 1 374.529 1.605 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@H+]1CCOC ZINC000160993612 525013423 /nfs/dbraw/zinc/01/34/23/525013423.db2.gz KSORZYBUYKYHLU-SFHVURJKSA-N 2 1 370.538 1.240 20 70 FDIDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000160705019 524954408 /nfs/dbraw/zinc/95/44/08/524954408.db2.gz RUHXPHHOUWQHRU-JFRXWTBNSA-N 2 1 364.534 1.754 20 70 FDIDMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000160705019 524954420 /nfs/dbraw/zinc/95/44/20/524954420.db2.gz RUHXPHHOUWQHRU-JFRXWTBNSA-N 2 1 364.534 1.754 20 70 FDIDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000160705019 524954428 /nfs/dbraw/zinc/95/44/28/524954428.db2.gz RUHXPHHOUWQHRU-JFRXWTBNSA-N 2 1 364.534 1.754 20 70 FDIDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000160705019 524954440 /nfs/dbraw/zinc/95/44/40/524954440.db2.gz RUHXPHHOUWQHRU-JFRXWTBNSA-N 2 1 364.534 1.754 20 70 FDIDMP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160843195 524982001 /nfs/dbraw/zinc/98/20/01/524982001.db2.gz NAVFHXUQXOOZQV-FUHWJXTLSA-N 2 1 352.523 1.395 20 70 FDIDMP CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC000160881945 524988477 /nfs/dbraw/zinc/98/84/77/524988477.db2.gz JIHLPIHQUAMIDS-HKUYNNGSSA-N 2 1 363.550 1.425 20 70 FDIDMP CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC000160881945 524988484 /nfs/dbraw/zinc/98/84/84/524988484.db2.gz JIHLPIHQUAMIDS-HKUYNNGSSA-N 2 1 363.550 1.425 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000160991150 525010383 /nfs/dbraw/zinc/01/03/83/525010383.db2.gz GHLSJCOECDNMPO-OALUTQOASA-N 2 1 368.566 1.889 20 70 FDIDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000160243582 524839011 /nfs/dbraw/zinc/83/90/11/524839011.db2.gz WXJCGCRDCCADDB-UHFFFAOYSA-N 2 1 357.458 1.698 20 70 FDIDMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160757238 524964902 /nfs/dbraw/zinc/96/49/02/524964902.db2.gz GFCYBEXLMMDEIT-DOTOQJQBSA-N 2 1 369.531 1.482 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160961818 525004669 /nfs/dbraw/zinc/00/46/69/525004669.db2.gz PEESOIYRTHVXPK-QGZVFWFLSA-N 2 1 354.539 1.595 20 70 FDIDMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544926 524692730 /nfs/dbraw/zinc/69/27/30/524692730.db2.gz FLPHVZZBJZRZOB-GTAWCEEGSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544926 524692738 /nfs/dbraw/zinc/69/27/38/524692738.db2.gz FLPHVZZBJZRZOB-GTAWCEEGSA-N 2 1 359.514 1.858 20 70 FDIDMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000159544926 524692746 /nfs/dbraw/zinc/69/27/46/524692746.db2.gz FLPHVZZBJZRZOB-GTAWCEEGSA-N 2 1 359.514 1.858 20 70 FDIDMP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160843319 524980750 /nfs/dbraw/zinc/98/07/50/524980750.db2.gz NAVFHXUQXOOZQV-WMZOPIPTSA-N 2 1 352.523 1.395 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000160991291 525009993 /nfs/dbraw/zinc/00/99/93/525009993.db2.gz GHLSJCOECDNMPO-RTBURBONSA-N 2 1 368.566 1.889 20 70 FDIDMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000160675696 524944738 /nfs/dbraw/zinc/94/47/38/524944738.db2.gz ZRBWUGBPBUFYHZ-RTBURBONSA-N 2 1 363.550 1.282 20 70 FDIDMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160675696 524944751 /nfs/dbraw/zinc/94/47/51/524944751.db2.gz ZRBWUGBPBUFYHZ-RTBURBONSA-N 2 1 363.550 1.282 20 70 FDIDMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160675696 524944760 /nfs/dbraw/zinc/94/47/60/524944760.db2.gz ZRBWUGBPBUFYHZ-RTBURBONSA-N 2 1 363.550 1.282 20 70 FDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160696160 524950883 /nfs/dbraw/zinc/95/08/83/524950883.db2.gz ZQFNCHFSODXWHU-IBGZPJMESA-N 2 1 363.477 1.611 20 70 FDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160696160 524950890 /nfs/dbraw/zinc/95/08/90/524950890.db2.gz ZQFNCHFSODXWHU-IBGZPJMESA-N 2 1 363.477 1.611 20 70 FDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160087135 524805487 /nfs/dbraw/zinc/80/54/87/524805487.db2.gz BAUFRLSZBDXZFE-OALUTQOASA-N 2 1 363.477 1.753 20 70 FDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160087135 524805495 /nfs/dbraw/zinc/80/54/95/524805495.db2.gz BAUFRLSZBDXZFE-OALUTQOASA-N 2 1 363.477 1.753 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159898660 524762360 /nfs/dbraw/zinc/76/23/60/524762360.db2.gz KBEDLFDDBNCRLS-IBGZPJMESA-N 2 1 373.545 1.934 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159898660 524762368 /nfs/dbraw/zinc/76/23/68/524762368.db2.gz KBEDLFDDBNCRLS-IBGZPJMESA-N 2 1 373.545 1.934 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000159944488 524773373 /nfs/dbraw/zinc/77/33/73/524773373.db2.gz IVTOHNFBPDLYSH-MJGOQNOKSA-N 2 1 360.502 1.481 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000159944488 524773376 /nfs/dbraw/zinc/77/33/76/524773376.db2.gz IVTOHNFBPDLYSH-MJGOQNOKSA-N 2 1 360.502 1.481 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000159552265 524694516 /nfs/dbraw/zinc/69/45/16/524694516.db2.gz SPDWGHPSVJJCIL-UHFFFAOYSA-N 2 1 360.502 1.756 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000159552265 524694523 /nfs/dbraw/zinc/69/45/23/524694523.db2.gz SPDWGHPSVJJCIL-UHFFFAOYSA-N 2 1 360.502 1.756 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000159604055 524706454 /nfs/dbraw/zinc/70/64/54/524706454.db2.gz XDTNVESOCAUDAW-UHFFFAOYSA-N 2 1 360.506 1.071 20 70 FDIDMP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000159844762 524751567 /nfs/dbraw/zinc/75/15/67/524751567.db2.gz NNFHMOHANXMBCK-GOSISDBHSA-N 2 1 354.539 1.859 20 70 FDIDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N([C@@H](C)c2cccnc2)C1=O ZINC000160259006 524843301 /nfs/dbraw/zinc/84/33/01/524843301.db2.gz VCRYVGMMUVETNO-WMLDXEAASA-N 2 1 355.442 1.797 20 70 FDIDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N([C@@H](C)c2cccnc2)C1=O ZINC000160259006 524843308 /nfs/dbraw/zinc/84/33/08/524843308.db2.gz VCRYVGMMUVETNO-WMLDXEAASA-N 2 1 355.442 1.797 20 70 FDIDMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000161019320 525017146 /nfs/dbraw/zinc/01/71/46/525017146.db2.gz DQKSOMBUEFJLNS-QZTJIDSGSA-N 2 1 364.534 1.167 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC[N@H+]1CCOC ZINC000161406704 525100777 /nfs/dbraw/zinc/10/07/77/525100777.db2.gz KJNMOONEQAVHCQ-SJLPKXTDSA-N 2 1 365.522 1.970 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000161406704 525100788 /nfs/dbraw/zinc/10/07/88/525100788.db2.gz KJNMOONEQAVHCQ-SJLPKXTDSA-N 2 1 365.522 1.970 20 70 FDIDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@@H+](C)CCN1C(=O)CNC1=O ZINC000159493469 524685751 /nfs/dbraw/zinc/68/57/51/524685751.db2.gz UBDQMHWPQVOUDM-HZPDHXFCSA-N 2 1 358.486 1.627 20 70 FDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159644177 524713108 /nfs/dbraw/zinc/71/31/08/524713108.db2.gz FOJBOHLUWZNLAC-LJQANCHMSA-N 2 1 373.545 1.934 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159644177 524713117 /nfs/dbraw/zinc/71/31/17/524713117.db2.gz FOJBOHLUWZNLAC-LJQANCHMSA-N 2 1 373.545 1.934 20 70 FDIDMP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160402005 524877748 /nfs/dbraw/zinc/87/77/48/524877748.db2.gz ZQQXNDHGDJARJO-PKOBYXMFSA-N 2 1 362.518 1.869 20 70 FDIDMP NC(=O)CNC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000160951893 525002077 /nfs/dbraw/zinc/00/20/77/525002077.db2.gz VULFXZOKTATPDA-UHFFFAOYSA-N 2 1 372.513 1.788 20 70 FDIDMP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)N1CC[NH+](C)CC1 ZINC000159905026 524764225 /nfs/dbraw/zinc/76/42/25/524764225.db2.gz CPRCAYQPJFVAKA-LJQANCHMSA-N 2 1 367.582 1.774 20 70 FDIDMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017538 524789381 /nfs/dbraw/zinc/78/93/81/524789381.db2.gz ZDWBMPFYFJQQDK-UYAOXDASSA-N 2 1 374.529 1.919 20 70 FDIDMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000160017538 524789391 /nfs/dbraw/zinc/78/93/91/524789391.db2.gz ZDWBMPFYFJQQDK-UYAOXDASSA-N 2 1 374.529 1.919 20 70 FDIDMP COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160401751 524878201 /nfs/dbraw/zinc/87/82/01/524878201.db2.gz ZQQXNDHGDJARJO-HKUYNNGSSA-N 2 1 362.518 1.869 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160011764 524790166 /nfs/dbraw/zinc/79/01/66/524790166.db2.gz XCMLNVQYHYYQLU-MSOLQXFVSA-N 2 1 352.523 1.492 20 70 FDIDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000160384704 524873972 /nfs/dbraw/zinc/87/39/72/524873972.db2.gz CUGWBEOHKMQERM-WMZOPIPTSA-N 2 1 352.523 1.469 20 70 FDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(NS(C)(=O)=O)cc1 ZINC000160706073 524953736 /nfs/dbraw/zinc/95/37/36/524953736.db2.gz SNCXBZKKNSHTAX-MAUKXSAKSA-N 2 1 369.531 1.946 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000159824364 524747299 /nfs/dbraw/zinc/74/72/99/524747299.db2.gz FNFOYQOMNZDDMJ-UHFFFAOYSA-N 2 1 374.529 1.881 20 70 FDIDMP COc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000159984979 524783009 /nfs/dbraw/zinc/78/30/09/524783009.db2.gz LVOZSDNJLHQROU-UHFFFAOYSA-N 2 1 361.486 1.992 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160041323 524793560 /nfs/dbraw/zinc/79/35/60/524793560.db2.gz ITSKOWQQAWYBML-MJGOQNOKSA-N 2 1 360.502 1.623 20 70 FDIDMP COCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000160041323 524793570 /nfs/dbraw/zinc/79/35/70/524793570.db2.gz ITSKOWQQAWYBML-MJGOQNOKSA-N 2 1 360.502 1.623 20 70 FDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160024327 524792214 /nfs/dbraw/zinc/79/22/14/524792214.db2.gz PDDWAFBJVDVLOQ-PMACEKPBSA-N 2 1 359.514 1.862 20 70 FDIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000160340673 524862621 /nfs/dbraw/zinc/86/26/21/524862621.db2.gz DKZRFHNLRXNFLL-UHFFFAOYSA-N 2 1 359.518 1.457 20 70 FDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(NS(C)(=O)=O)cc1 ZINC000160706213 524953388 /nfs/dbraw/zinc/95/33/88/524953388.db2.gz SNCXBZKKNSHTAX-CRAIPNDOSA-N 2 1 369.531 1.946 20 70 FDIDMP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160843081 524980890 /nfs/dbraw/zinc/98/08/90/524980890.db2.gz NAVFHXUQXOOZQV-AEFFLSMTSA-N 2 1 352.523 1.395 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160973936 525006981 /nfs/dbraw/zinc/00/69/81/525006981.db2.gz ZNUMVKNUSWGOBJ-GOSISDBHSA-N 2 1 354.539 1.861 20 70 FDIDMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000160973936 525006985 /nfs/dbraw/zinc/00/69/85/525006985.db2.gz ZNUMVKNUSWGOBJ-GOSISDBHSA-N 2 1 354.539 1.861 20 70 FDIDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCOCC1 ZINC000159460095 524674030 /nfs/dbraw/zinc/67/40/30/524674030.db2.gz MPWLVKXRXHXUFO-HKUYNNGSSA-N 2 1 360.502 1.528 20 70 FDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCOCC1 ZINC000159460095 524674042 /nfs/dbraw/zinc/67/40/42/524674042.db2.gz MPWLVKXRXHXUFO-HKUYNNGSSA-N 2 1 360.502 1.528 20 70 FDIDMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159813339 524744004 /nfs/dbraw/zinc/74/40/04/524744004.db2.gz LBACGJRNNGGCMM-PMACEKPBSA-N 2 1 359.514 1.991 20 70 FDIDMP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160024449 524791800 /nfs/dbraw/zinc/79/18/00/524791800.db2.gz PDDWAFBJVDVLOQ-UXHICEINSA-N 2 1 359.514 1.862 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](CCC)C2)CC[N@H+]1CCOC ZINC000160063967 524801395 /nfs/dbraw/zinc/80/13/95/524801395.db2.gz MFILNXRCZDICBM-ROUUACIJSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC[NH+]1CCOC ZINC000160063967 524801403 /nfs/dbraw/zinc/80/14/03/524801403.db2.gz MFILNXRCZDICBM-ROUUACIJSA-N 2 1 354.539 1.861 20 70 FDIDMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC[NH+]1CCOC ZINC000160063967 524801416 /nfs/dbraw/zinc/80/14/16/524801416.db2.gz MFILNXRCZDICBM-ROUUACIJSA-N 2 1 354.539 1.861 20 70 FDIDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000160705266 524953581 /nfs/dbraw/zinc/95/35/81/524953581.db2.gz RUHXPHHOUWQHRU-RWQQGDIJSA-N 2 1 364.534 1.754 20 70 FDIDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000160705266 524953592 /nfs/dbraw/zinc/95/35/92/524953592.db2.gz RUHXPHHOUWQHRU-RWQQGDIJSA-N 2 1 364.534 1.754 20 70 FDIDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159553611 524695891 /nfs/dbraw/zinc/69/58/91/524695891.db2.gz HUPVTAFVVQEJEC-ZWKOTPCHSA-N 2 1 352.523 1.757 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000159577386 524699581 /nfs/dbraw/zinc/69/95/81/524699581.db2.gz GOBVSXIMNIMUAJ-UHFFFAOYSA-N 2 1 360.506 1.071 20 70 FDIDMP C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159587013 524701107 /nfs/dbraw/zinc/70/11/07/524701107.db2.gz PRBZZFPRXOKNRK-MSOLQXFVSA-N 2 1 362.518 1.774 20 70 FDIDMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159587013 524701111 /nfs/dbraw/zinc/70/11/11/524701111.db2.gz PRBZZFPRXOKNRK-MSOLQXFVSA-N 2 1 362.518 1.774 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000159917143 524767110 /nfs/dbraw/zinc/76/71/10/524767110.db2.gz ARDHUADOMSYWRQ-UHFFFAOYSA-N 3 1 365.566 1.674 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000160092890 524808321 /nfs/dbraw/zinc/80/83/21/524808321.db2.gz LRKJRENTKJWJQN-GOSISDBHSA-N 2 1 352.523 1.756 20 70 FDIDMP COc1ccc(N2C(=O)C[C@@H]([N@H+](C)CCCn3cc[nH+]c3C)C2=O)cn1 ZINC000160257556 524843247 /nfs/dbraw/zinc/84/32/47/524843247.db2.gz UELHIUUQGUHYAW-OAHLLOKOSA-N 2 1 357.414 1.249 20 70 FDIDMP COc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CCCn3cc[nH+]c3C)C2=O)cn1 ZINC000160257556 524843258 /nfs/dbraw/zinc/84/32/58/524843258.db2.gz UELHIUUQGUHYAW-OAHLLOKOSA-N 2 1 357.414 1.249 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000160629286 524933478 /nfs/dbraw/zinc/93/34/78/524933478.db2.gz NLWKPIHULUBQSR-QZTJIDSGSA-N 2 1 354.539 1.861 20 70 FDIDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000160673914 524943806 /nfs/dbraw/zinc/94/38/06/524943806.db2.gz XLTPAPHPJHNLOQ-QGZVFWFLSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160673914 524943816 /nfs/dbraw/zinc/94/38/16/524943816.db2.gz XLTPAPHPJHNLOQ-QGZVFWFLSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160673914 524943825 /nfs/dbraw/zinc/94/38/25/524943825.db2.gz XLTPAPHPJHNLOQ-QGZVFWFLSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160673914 524943837 /nfs/dbraw/zinc/94/38/37/524943837.db2.gz XLTPAPHPJHNLOQ-QGZVFWFLSA-N 2 1 351.539 1.138 20 70 FDIDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160673914 524943850 /nfs/dbraw/zinc/94/38/50/524943850.db2.gz XLTPAPHPJHNLOQ-QGZVFWFLSA-N 2 1 351.539 1.138 20 70 FDIDMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160709463 524953776 /nfs/dbraw/zinc/95/37/76/524953776.db2.gz JKKSPUXAFHUFBG-UKRRQHHQSA-N 2 1 359.312 1.861 20 70 FDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160696017 524951715 /nfs/dbraw/zinc/95/17/15/524951715.db2.gz ZQFNCHFSODXWHU-LJQANCHMSA-N 2 1 363.477 1.611 20 70 FDIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160696017 524951726 /nfs/dbraw/zinc/95/17/26/524951726.db2.gz ZQFNCHFSODXWHU-LJQANCHMSA-N 2 1 363.477 1.611 20 70 FDIDMP C[C@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)CC2)CCO1 ZINC000160786325 524971651 /nfs/dbraw/zinc/97/16/51/524971651.db2.gz LRMCEAGUIYZADC-DLBZAZTESA-N 2 1 364.534 1.898 20 70 FDIDMP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000160433347 524888231 /nfs/dbraw/zinc/88/82/31/524888231.db2.gz AOHSQWLYTOKZDS-LJQANCHMSA-N 2 1 365.566 1.674 20 70 FDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000160998710 525012617 /nfs/dbraw/zinc/01/26/17/525012617.db2.gz DQQHFESTELREIE-LJQANCHMSA-N 3 1 367.582 1.822 20 70 FDIDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161493121 525117137 /nfs/dbraw/zinc/11/71/37/525117137.db2.gz LTJJLOFABMDJAX-GFCCVEGCSA-N 2 1 358.255 1.875 20 70 FDIDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161493121 525117141 /nfs/dbraw/zinc/11/71/41/525117141.db2.gz LTJJLOFABMDJAX-GFCCVEGCSA-N 2 1 358.255 1.875 20 70 FDIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000159633782 524712705 /nfs/dbraw/zinc/71/27/05/524712705.db2.gz QXZJSKAGEQCMCY-UHFFFAOYSA-N 2 1 373.545 1.936 20 70 FDIDMP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160610945 524929887 /nfs/dbraw/zinc/92/98/87/524929887.db2.gz ULECVPNVZJEKJS-WOJBJXKFSA-N 2 1 372.513 1.189 20 70 FDIDMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000160610945 524929902 /nfs/dbraw/zinc/92/99/02/524929902.db2.gz ULECVPNVZJEKJS-WOJBJXKFSA-N 2 1 372.513 1.189 20 70 FDIDMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000160610945 524929911 /nfs/dbraw/zinc/92/99/11/524929911.db2.gz ULECVPNVZJEKJS-WOJBJXKFSA-N 2 1 372.513 1.189 20 70 FDIDMP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160677136 524946124 /nfs/dbraw/zinc/94/61/24/524946124.db2.gz YPEMKMNWNUWSEA-HXUWFJFHSA-N 2 1 374.529 1.011 20 70 FDIDMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)CC2)cn1 ZINC000160854320 524983631 /nfs/dbraw/zinc/98/36/31/524983631.db2.gz FEFKKPUEBTZBAO-GOSISDBHSA-N 2 1 374.533 1.654 20 70 FDIDMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)CC2)cn1 ZINC000160854320 524983639 /nfs/dbraw/zinc/98/36/39/524983639.db2.gz FEFKKPUEBTZBAO-GOSISDBHSA-N 2 1 374.533 1.654 20 70 FDIDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160854320 524983650 /nfs/dbraw/zinc/98/36/50/524983650.db2.gz FEFKKPUEBTZBAO-GOSISDBHSA-N 2 1 374.533 1.654 20 70 FDIDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cn1 ZINC000160854320 524983659 /nfs/dbraw/zinc/98/36/59/524983659.db2.gz FEFKKPUEBTZBAO-GOSISDBHSA-N 2 1 374.533 1.654 20 70 FDIDMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CCOC)CC2)CC[N@H+]1CCOC ZINC000160993487 525012403 /nfs/dbraw/zinc/01/24/03/525012403.db2.gz KSORZYBUYKYHLU-GOSISDBHSA-N 2 1 370.538 1.240 20 70 FDIDMP