smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)ccc2oc1=O ZINC000060632549 1073110172 /nfs/dbraw/zinc/11/01/72/1073110172.db2.gz NFOONKYLNRLCAH-UHFFFAOYSA-N 2 1 446.508 -0.625 20 0 IBADMP COCCn1c(N)c(C(=O)CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990862 1072149727 /nfs/dbraw/zinc/14/97/27/1072149727.db2.gz VLGYLKJHDQLQOF-GASCZTMLSA-N 2 1 437.541 -0.231 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166955 1074500812 /nfs/dbraw/zinc/50/08/12/1074500812.db2.gz KFNHFWCULYQFFQ-MOPGFXCFSA-N 2 1 437.585 -0.432 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166956 1074500553 /nfs/dbraw/zinc/50/05/53/1074500553.db2.gz KFNHFWCULYQFFQ-OALUTQOASA-N 2 1 437.585 -0.432 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166957 1074500651 /nfs/dbraw/zinc/50/06/51/1074500651.db2.gz KFNHFWCULYQFFQ-RBUKOAKNSA-N 2 1 437.585 -0.432 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166958 1074500682 /nfs/dbraw/zinc/50/06/82/1074500682.db2.gz KFNHFWCULYQFFQ-RTBURBONSA-N 2 1 437.585 -0.432 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426908545 1073306179 /nfs/dbraw/zinc/30/61/79/1073306179.db2.gz GEHBTZGNUNRQFF-KRWDZBQOSA-N 2 1 433.557 0.147 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426908616 1073306264 /nfs/dbraw/zinc/30/62/64/1073306264.db2.gz GEHBTZGNUNRQFF-QGZVFWFLSA-N 2 1 433.557 0.147 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427212534 1071154350 /nfs/dbraw/zinc/15/43/50/1071154350.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427212534 1071154347 /nfs/dbraw/zinc/15/43/47/1071154347.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427212535 1071154089 /nfs/dbraw/zinc/15/40/89/1071154089.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427212535 1071154082 /nfs/dbraw/zinc/15/40/82/1071154082.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427212536 1071154240 /nfs/dbraw/zinc/15/42/40/1071154240.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427212536 1071154230 /nfs/dbraw/zinc/15/42/30/1071154230.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427212537 1071154183 /nfs/dbraw/zinc/15/41/83/1071154183.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 1 449.596 -0.460 20 0 IBADMP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427212537 1071154177 /nfs/dbraw/zinc/15/41/77/1071154177.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 1 449.596 -0.460 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427567710 1072285341 /nfs/dbraw/zinc/28/53/41/1072285341.db2.gz ZEBOYIMTMNLGLO-KRWDZBQOSA-N 2 1 431.541 -0.147 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427567711 1073311880 /nfs/dbraw/zinc/31/18/80/1073311880.db2.gz ZEBOYIMTMNLGLO-QGZVFWFLSA-N 2 1 431.541 -0.147 20 0 IBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427659152 1072325993 /nfs/dbraw/zinc/32/59/93/1072325993.db2.gz GFDSZVMOQAOTOZ-MRXNPFEDSA-N 2 1 449.556 -0.789 20 0 IBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427718182 1072330911 /nfs/dbraw/zinc/33/09/11/1072330911.db2.gz GFDSZVMOQAOTOZ-INIZCTEOSA-N 2 1 449.556 -0.789 20 0 IBADMP C[NH+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@@H+](C)CC4)c3)C[C@H]2C1 ZINC000427858887 1072344110 /nfs/dbraw/zinc/34/41/10/1072344110.db2.gz MMKUWQHYMPEFKS-CALCHBBNSA-N 2 1 449.577 -0.029 20 0 IBADMP C[NH+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@H+](C)CC4)c3)C[C@H]2C1 ZINC000427858887 1072344102 /nfs/dbraw/zinc/34/41/02/1072344102.db2.gz MMKUWQHYMPEFKS-CALCHBBNSA-N 2 1 449.577 -0.029 20 0 IBADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000427858887 1072344092 /nfs/dbraw/zinc/34/40/92/1072344092.db2.gz MMKUWQHYMPEFKS-CALCHBBNSA-N 2 1 449.577 -0.029 20 0 IBADMP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000427858887 1072344081 /nfs/dbraw/zinc/34/40/81/1072344081.db2.gz MMKUWQHYMPEFKS-CALCHBBNSA-N 2 1 449.577 -0.029 20 0 IBADMP CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2)CC1 ZINC000427858887 1072344073 /nfs/dbraw/zinc/34/40/73/1072344073.db2.gz MMKUWQHYMPEFKS-CALCHBBNSA-N 2 1 449.577 -0.029 20 0 IBADMP C[NH+]1CC[C@@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@]5(CC[N@H+](C)C5)C4)CC3)C2)C1 ZINC000429007423 1073235658 /nfs/dbraw/zinc/23/56/58/1073235658.db2.gz KBVRJVYCSSMFBO-DNQXCXABSA-N 2 1 446.640 -0.288 20 0 IBADMP C[NH+]1CC[C@@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@]5(CC[N@@H+](C)C5)C4)CC3)C2)C1 ZINC000429007424 1073235542 /nfs/dbraw/zinc/23/55/42/1073235542.db2.gz KBVRJVYCSSMFBO-PSWAGMNNSA-N 2 1 446.640 -0.288 20 0 IBADMP C[NH+]1CC[C@@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@]5(CC[N@H+](C)C5)C4)CC3)C2)C1 ZINC000429007424 1073235540 /nfs/dbraw/zinc/23/55/40/1073235540.db2.gz KBVRJVYCSSMFBO-PSWAGMNNSA-N 2 1 446.640 -0.288 20 0 IBADMP C[NH+]1CC[C@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@]5(CC[N@H+](C)C5)C4)CC3)C2)C1 ZINC000429007424 1073235537 /nfs/dbraw/zinc/23/55/37/1073235537.db2.gz KBVRJVYCSSMFBO-PSWAGMNNSA-N 2 1 446.640 -0.288 20 0 IBADMP C[NH+]1CC[C@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@]5(CC[N@H+](C)C5)C4)CC3)C2)C1 ZINC000429007425 1073235627 /nfs/dbraw/zinc/23/56/27/1073235627.db2.gz KBVRJVYCSSMFBO-ZEQRLZLVSA-N 2 1 446.640 -0.288 20 0 IBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000431256740 1071041073 /nfs/dbraw/zinc/04/10/73/1071041073.db2.gz ANMQSKCPYVLOEI-UHFFFAOYSA-N 2 1 445.564 -0.095 20 0 IBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1=O ZINC000431336485 1071065207 /nfs/dbraw/zinc/06/52/07/1071065207.db2.gz IULDRPMBVNZFRY-IBGZPJMESA-N 2 1 437.585 -0.526 20 0 IBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1=O ZINC000431336486 1071064950 /nfs/dbraw/zinc/06/49/50/1071064950.db2.gz IULDRPMBVNZFRY-LJQANCHMSA-N 2 1 437.585 -0.526 20 0 IBADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000431922140 1071356013 /nfs/dbraw/zinc/35/60/13/1071356013.db2.gz ZOVPORBWPAAYDI-UHFFFAOYSA-N 2 1 441.598 -0.099 20 0 IBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)n2)c1C ZINC000434582907 1071789138 /nfs/dbraw/zinc/78/91/38/1071789138.db2.gz DURJJTDLETWSLQ-UHFFFAOYSA-N 2 1 445.524 0.512 20 0 IBADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CC1 ZINC000434731366 1073336933 /nfs/dbraw/zinc/33/69/33/1073336933.db2.gz ZVZXSUUHWYXRAB-UHFFFAOYSA-N 2 1 444.540 0.039 20 0 IBADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CC1 ZINC000434950612 1071826820 /nfs/dbraw/zinc/82/68/20/1071826820.db2.gz JFGLJRIJAYJQMX-UHFFFAOYSA-N 2 1 445.524 0.512 20 0 IBADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436250305 1071478097 /nfs/dbraw/zinc/47/80/97/1071478097.db2.gz XQILCTSTWYYOIZ-IBGZPJMESA-N 2 1 439.601 -0.986 20 0 IBADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436250306 1071478045 /nfs/dbraw/zinc/47/80/45/1071478045.db2.gz XQILCTSTWYYOIZ-LJQANCHMSA-N 2 1 439.601 -0.986 20 0 IBADMP CN(CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000436418339 1071910833 /nfs/dbraw/zinc/91/08/33/1071910833.db2.gz HZFAHWONHMEBRM-FGZHOGPDSA-N 2 1 446.640 -0.006 20 0 IBADMP CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000436418340 1071910512 /nfs/dbraw/zinc/91/05/12/1071910512.db2.gz HZFAHWONHMEBRM-SZPZYZBQSA-N 2 1 446.640 -0.006 20 0 IBADMP CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000436418340 1071910500 /nfs/dbraw/zinc/91/05/00/1071910500.db2.gz HZFAHWONHMEBRM-SZPZYZBQSA-N 2 1 446.640 -0.006 20 0 IBADMP CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[NH+](C3CC3)C2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000436418340 1071910489 /nfs/dbraw/zinc/91/04/89/1071910489.db2.gz HZFAHWONHMEBRM-SZPZYZBQSA-N 2 1 446.640 -0.006 20 0 IBADMP CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000436418341 1071910594 /nfs/dbraw/zinc/91/05/94/1071910594.db2.gz HZFAHWONHMEBRM-VXKWHMMOSA-N 2 1 446.640 -0.006 20 0 IBADMP O=C(CC1(C(=O)NCC[NH+]2CCCOCC2)CCOCC1)NCC[N@H+]1CCCOCC1 ZINC000438692161 1072021419 /nfs/dbraw/zinc/02/14/19/1072021419.db2.gz OXGDMGDSBHSRLB-UHFFFAOYSA-N 2 1 440.585 -0.150 20 0 IBADMP O=C(CC1(C(=O)NCC[NH+]2CCCOCC2)CCOCC1)NCC[N@@H+]1CCCOCC1 ZINC000438692161 1072021408 /nfs/dbraw/zinc/02/14/08/1072021408.db2.gz OXGDMGDSBHSRLB-UHFFFAOYSA-N 2 1 440.585 -0.150 20 0 IBADMP O=C(CC1(C(=O)NCC[N@H+]2CCCOCC2)CCOCC1)NCC[NH+]1CCCOCC1 ZINC000438692161 1072021396 /nfs/dbraw/zinc/02/13/96/1072021396.db2.gz OXGDMGDSBHSRLB-UHFFFAOYSA-N 2 1 440.585 -0.150 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439212988 1072064600 /nfs/dbraw/zinc/06/46/00/1072064600.db2.gz QKEYYYCOWYGCOP-GOSISDBHSA-N 2 1 445.568 -0.169 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000439212990 1072064678 /nfs/dbraw/zinc/06/46/78/1072064678.db2.gz QKEYYYCOWYGCOP-SFHVURJKSA-N 2 1 445.568 -0.169 20 0 IBADMP COC(=O)CC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCS(=O)(=O)CC1 ZINC000439258170 1072067256 /nfs/dbraw/zinc/06/72/56/1072067256.db2.gz FEOKWPVUYVISMM-INIZCTEOSA-N 2 1 433.571 -0.441 20 0 IBADMP COC(=O)CC1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCS(=O)(=O)CC1 ZINC000439258173 1072067376 /nfs/dbraw/zinc/06/73/76/1072067376.db2.gz FEOKWPVUYVISMM-MRXNPFEDSA-N 2 1 433.571 -0.441 20 0 IBADMP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000439985588 1072112927 /nfs/dbraw/zinc/11/29/27/1072112927.db2.gz BFZFMAMWOLLTHT-UHFFFAOYSA-N 2 1 444.540 -0.286 20 0 IBADMP Cc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000440652254 1072231365 /nfs/dbraw/zinc/23/13/65/1072231365.db2.gz MAZQAQIZZSBCFB-UHFFFAOYSA-N 2 1 433.649 -0.100 20 0 IBADMP CNc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000440672735 1072232498 /nfs/dbraw/zinc/23/24/98/1072232498.db2.gz MHCLEOUAKMORDV-UHFFFAOYSA-N 2 1 448.664 -0.945 20 0 IBADMP COc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000440683163 1072233117 /nfs/dbraw/zinc/23/31/17/1072233117.db2.gz XOGHPJYRQJLWNZ-UHFFFAOYSA-N 2 1 449.648 -0.400 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000441133125 1073308184 /nfs/dbraw/zinc/30/81/84/1073308184.db2.gz FUCIZZCKEMOUMN-MOPGFXCFSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000441133125 1073308179 /nfs/dbraw/zinc/30/81/79/1073308179.db2.gz FUCIZZCKEMOUMN-MOPGFXCFSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000441133127 1072258137 /nfs/dbraw/zinc/25/81/37/1072258137.db2.gz FUCIZZCKEMOUMN-OALUTQOASA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000441133127 1072258129 /nfs/dbraw/zinc/25/81/29/1072258129.db2.gz FUCIZZCKEMOUMN-OALUTQOASA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000441133129 1073308321 /nfs/dbraw/zinc/30/83/21/1073308321.db2.gz FUCIZZCKEMOUMN-RBUKOAKNSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000441133129 1073308315 /nfs/dbraw/zinc/30/83/15/1073308315.db2.gz FUCIZZCKEMOUMN-RBUKOAKNSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000441133131 1073308348 /nfs/dbraw/zinc/30/83/48/1073308348.db2.gz FUCIZZCKEMOUMN-RTBURBONSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000441133131 1073308344 /nfs/dbraw/zinc/30/83/44/1073308344.db2.gz FUCIZZCKEMOUMN-RTBURBONSA-N 2 1 428.537 0.382 20 0 IBADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441832885 1072364527 /nfs/dbraw/zinc/36/45/27/1072364527.db2.gz KQWLABWTMBVNLI-UHFFFAOYSA-N 2 1 435.525 -0.284 20 0 IBADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442034776 1072394083 /nfs/dbraw/zinc/39/40/83/1072394083.db2.gz RDSGASKVVIBEBI-NRFANRHFSA-N 2 1 435.525 -0.285 20 0 IBADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442034779 1072394035 /nfs/dbraw/zinc/39/40/35/1072394035.db2.gz RDSGASKVVIBEBI-OAQYLSRUSA-N 2 1 435.525 -0.285 20 0 IBADMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cc21 ZINC000442055283 1072396156 /nfs/dbraw/zinc/39/61/56/1072396156.db2.gz KMXVPCZOGBQPHX-NRFANRHFSA-N 2 1 449.508 -0.706 20 0 IBADMP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cc21 ZINC000442055286 1072396476 /nfs/dbraw/zinc/39/64/76/1072396476.db2.gz KMXVPCZOGBQPHX-OAQYLSRUSA-N 2 1 449.508 -0.706 20 0 IBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442498836 1072440731 /nfs/dbraw/zinc/44/07/31/1072440731.db2.gz XCWQUDFADFFXHD-JOCHJYFZSA-N 2 1 428.537 0.479 20 0 IBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442498837 1072440864 /nfs/dbraw/zinc/44/08/64/1072440864.db2.gz XCWQUDFADFFXHD-QFIPXVFZSA-N 2 1 428.537 0.479 20 0 IBADMP COCC[N@@H+](CC(=O)NC(N)=O)CC1(c2ccccc2)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000442888732 1072456740 /nfs/dbraw/zinc/45/67/40/1072456740.db2.gz HKYHVHWWCLLGLC-UHFFFAOYSA-N 2 1 448.524 -0.642 20 0 IBADMP C[NH+]1CCN(CCNC(=O)COCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000442969629 1072463037 /nfs/dbraw/zinc/46/30/37/1072463037.db2.gz VARHHBSMKOQIDJ-UHFFFAOYSA-N 2 1 440.633 -0.713 20 0 IBADMP CS(=O)(=O)N1CCN(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000443468102 1072504838 /nfs/dbraw/zinc/50/48/38/1072504838.db2.gz NDLYXGAJRZWUAH-UHFFFAOYSA-N 2 1 446.599 -0.995 20 0 IBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COCC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000444386769 1072619308 /nfs/dbraw/zinc/61/93/08/1072619308.db2.gz FMYGZFUKYYRVOF-HDICACEKSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)COCC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000444386769 1072619307 /nfs/dbraw/zinc/61/93/07/1072619307.db2.gz FMYGZFUKYYRVOF-HDICACEKSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)COCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000444386769 1072619306 /nfs/dbraw/zinc/61/93/06/1072619306.db2.gz FMYGZFUKYYRVOF-HDICACEKSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)COCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000444386770 1072619151 /nfs/dbraw/zinc/61/91/51/1072619151.db2.gz FMYGZFUKYYRVOF-QZTJIDSGSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)COCC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000444386771 1072619254 /nfs/dbraw/zinc/61/92/54/1072619254.db2.gz FMYGZFUKYYRVOF-ROUUACIJSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1CN(C(=O)COCC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000444546899 1072642403 /nfs/dbraw/zinc/64/24/03/1072642403.db2.gz IPWKFYJAGSPCNH-HDICACEKSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1CN(C(=O)COCC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000444546899 1072642395 /nfs/dbraw/zinc/64/23/95/1072642395.db2.gz IPWKFYJAGSPCNH-HDICACEKSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444546899 1072642391 /nfs/dbraw/zinc/64/23/91/1072642391.db2.gz IPWKFYJAGSPCNH-HDICACEKSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444546900 1072642365 /nfs/dbraw/zinc/64/23/65/1072642365.db2.gz IPWKFYJAGSPCNH-QZTJIDSGSA-N 2 1 442.601 -0.390 20 0 IBADMP C[C@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444546901 1072642439 /nfs/dbraw/zinc/64/24/39/1072642439.db2.gz IPWKFYJAGSPCNH-ROUUACIJSA-N 2 1 442.601 -0.390 20 0 IBADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000445916789 1072710043 /nfs/dbraw/zinc/71/00/43/1072710043.db2.gz CDMDUMDOZJTWDE-UHFFFAOYSA-N 2 1 425.555 -0.029 20 0 IBADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000445916789 1072710038 /nfs/dbraw/zinc/71/00/38/1072710038.db2.gz CDMDUMDOZJTWDE-UHFFFAOYSA-N 2 1 425.555 -0.029 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000446720567 1072743493 /nfs/dbraw/zinc/74/34/93/1072743493.db2.gz WMHOUGGYGYPLCE-UHFFFAOYSA-N 2 1 428.541 0.107 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000446815518 1072749695 /nfs/dbraw/zinc/74/96/95/1072749695.db2.gz VNKHRZSKVSYZIX-MOPGFXCFSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000446815519 1072749633 /nfs/dbraw/zinc/74/96/33/1072749633.db2.gz VNKHRZSKVSYZIX-OALUTQOASA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000446815520 1072749248 /nfs/dbraw/zinc/74/92/48/1072749248.db2.gz VNKHRZSKVSYZIX-RBUKOAKNSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000446815521 1072749003 /nfs/dbraw/zinc/74/90/03/1072749003.db2.gz VNKHRZSKVSYZIX-RTBURBONSA-N 2 1 428.537 0.382 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000448485785 1072817037 /nfs/dbraw/zinc/81/70/37/1072817037.db2.gz MRLMSGBCSOKEJZ-UHFFFAOYSA-N 2 1 441.536 0.087 20 0 IBADMP CN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)CC1 ZINC000448490371 1072817887 /nfs/dbraw/zinc/81/78/87/1072817887.db2.gz BDXXIUBPXUJSMK-UHFFFAOYSA-N 2 1 427.553 0.447 20 0 IBADMP O=C(C[NH+]1CC[C@H](n2cccn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463456349 1072510547 /nfs/dbraw/zinc/51/05/47/1072510547.db2.gz ZKQLVWYJLMXQAY-PMACEKPBSA-N 2 1 440.552 -0.056 20 0 IBADMP O=C(C[NH+]1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456351 1072510392 /nfs/dbraw/zinc/51/03/92/1072510392.db2.gz ZKQLVWYJLMXQAY-WOJBJXKFSA-N 2 1 440.552 -0.056 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000467627922 1074543244 /nfs/dbraw/zinc/54/32/44/1074543244.db2.gz DSCYGOFJMJKMLJ-UHFFFAOYSA-N 2 1 444.536 -0.108 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651202 1074545409 /nfs/dbraw/zinc/54/54/09/1074545409.db2.gz SZXFEGLZTRJDIJ-KSZLIROESA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651202 1074545401 /nfs/dbraw/zinc/54/54/01/1074545401.db2.gz SZXFEGLZTRJDIJ-KSZLIROESA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651203 1073151570 /nfs/dbraw/zinc/15/15/70/1073151570.db2.gz SZXFEGLZTRJDIJ-KURKYZTESA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651203 1073151567 /nfs/dbraw/zinc/15/15/67/1073151567.db2.gz SZXFEGLZTRJDIJ-KURKYZTESA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651204 1073151580 /nfs/dbraw/zinc/15/15/80/1073151580.db2.gz SZXFEGLZTRJDIJ-KZNAEPCWSA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651204 1073151579 /nfs/dbraw/zinc/15/15/79/1073151579.db2.gz SZXFEGLZTRJDIJ-KZNAEPCWSA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651205 1073151486 /nfs/dbraw/zinc/15/14/86/1073151486.db2.gz SZXFEGLZTRJDIJ-RCCFBDPRSA-N 2 1 428.599 -0.104 20 0 IBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651205 1073151480 /nfs/dbraw/zinc/15/14/80/1073151480.db2.gz SZXFEGLZTRJDIJ-RCCFBDPRSA-N 2 1 428.599 -0.104 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000467664965 1074545976 /nfs/dbraw/zinc/54/59/76/1074545976.db2.gz XZWPYGAHJKQCSE-HNNXBMFYSA-N 2 1 432.525 -0.171 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000467664965 1074545970 /nfs/dbraw/zinc/54/59/70/1074545970.db2.gz XZWPYGAHJKQCSE-HNNXBMFYSA-N 2 1 432.525 -0.171 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000467664966 1074545890 /nfs/dbraw/zinc/54/58/90/1074545890.db2.gz XZWPYGAHJKQCSE-OAHLLOKOSA-N 2 1 432.525 -0.171 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000467664966 1074545884 /nfs/dbraw/zinc/54/58/84/1074545884.db2.gz XZWPYGAHJKQCSE-OAHLLOKOSA-N 2 1 432.525 -0.171 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468835777 1074591242 /nfs/dbraw/zinc/59/12/42/1074591242.db2.gz DCVGFTLELMYSGC-AWEZNQCLSA-N 2 1 428.559 -0.734 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468835956 1074591277 /nfs/dbraw/zinc/59/12/77/1074591277.db2.gz DCVGFTLELMYSGC-CQSZACIVSA-N 2 1 428.559 -0.734 20 0 IBADMP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000468895339 1074593903 /nfs/dbraw/zinc/59/39/03/1074593903.db2.gz ITOJSGRSXRZPCS-GOSISDBHSA-N 2 1 436.601 -0.907 20 0 IBADMP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000468895562 1074593924 /nfs/dbraw/zinc/59/39/24/1074593924.db2.gz ITOJSGRSXRZPCS-SFHVURJKSA-N 2 1 436.601 -0.907 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469170664 1074602282 /nfs/dbraw/zinc/60/22/82/1074602282.db2.gz WAWYHORIOZEJHI-AWEZNQCLSA-N 2 1 429.543 -0.469 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469170798 1074602213 /nfs/dbraw/zinc/60/22/13/1074602213.db2.gz WAWYHORIOZEJHI-CQSZACIVSA-N 2 1 429.543 -0.469 20 0 IBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)CSCC(=O)N2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000470047241 1074639994 /nfs/dbraw/zinc/63/99/94/1074639994.db2.gz PPAQFMXQMHTMFE-HDICACEKSA-N 2 1 430.615 -0.450 20 0 IBADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)CSCC(=O)N2CCC[NH+]([C@@H](C)CO)CC2)CC1 ZINC000470047241 1074639987 /nfs/dbraw/zinc/63/99/87/1074639987.db2.gz PPAQFMXQMHTMFE-HDICACEKSA-N 2 1 430.615 -0.450 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000470047241 1074639981 /nfs/dbraw/zinc/63/99/81/1074639981.db2.gz PPAQFMXQMHTMFE-HDICACEKSA-N 2 1 430.615 -0.450 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)CC1 ZINC000470047242 1074640125 /nfs/dbraw/zinc/64/01/25/1074640125.db2.gz PPAQFMXQMHTMFE-QZTJIDSGSA-N 2 1 430.615 -0.450 20 0 IBADMP C[C@@H](CO)[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)CC1 ZINC000470047343 1074640043 /nfs/dbraw/zinc/64/00/43/1074640043.db2.gz PPAQFMXQMHTMFE-ROUUACIJSA-N 2 1 430.615 -0.450 20 0 IBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[NH+]([C@@H](C)CO)CC3)O2)CC1 ZINC000470092830 1074641680 /nfs/dbraw/zinc/64/16/80/1074641680.db2.gz MKUPDNXKOQYHGE-JVSBHGNQSA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[NH+]([C@@H](C)CO)CC3)O2)CC1 ZINC000470092830 1074641676 /nfs/dbraw/zinc/64/16/76/1074641676.db2.gz MKUPDNXKOQYHGE-JVSBHGNQSA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[N@H+]([C@@H](C)CO)CC3)O2)CC1 ZINC000470092830 1074641673 /nfs/dbraw/zinc/64/16/73/1074641673.db2.gz MKUPDNXKOQYHGE-JVSBHGNQSA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)O2)CC1 ZINC000470092834 1074641542 /nfs/dbraw/zinc/64/15/42/1074641542.db2.gz MKUPDNXKOQYHGE-WTGUMLROSA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)O2)CC1 ZINC000470092834 1074641538 /nfs/dbraw/zinc/64/15/38/1074641538.db2.gz MKUPDNXKOQYHGE-WTGUMLROSA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)O2)CC1 ZINC000470092834 1074641533 /nfs/dbraw/zinc/64/15/33/1074641533.db2.gz MKUPDNXKOQYHGE-WTGUMLROSA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[NH+]([C@@H](C)CO)CC3)O2)CC1 ZINC000470092835 1074641703 /nfs/dbraw/zinc/64/17/03/1074641703.db2.gz MKUPDNXKOQYHGE-YRPNKDGESA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[NH+]([C@@H](C)CO)CC3)O2)CC1 ZINC000470092835 1074641700 /nfs/dbraw/zinc/64/17/00/1074641700.db2.gz MKUPDNXKOQYHGE-YRPNKDGESA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@H+]([C@@H](C)CO)CC3)O2)CC1 ZINC000470092835 1074641699 /nfs/dbraw/zinc/64/16/99/1074641699.db2.gz MKUPDNXKOQYHGE-YRPNKDGESA-N 2 1 440.585 -0.636 20 0 IBADMP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)O2)CC1 ZINC000470092837 1074641577 /nfs/dbraw/zinc/64/15/77/1074641577.db2.gz MKUPDNXKOQYHGE-ZRNYENFQSA-N 2 1 440.585 -0.636 20 0 IBADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CC1 ZINC000473362617 1071537029 /nfs/dbraw/zinc/53/70/29/1071537029.db2.gz QQMQJZQWRQJUSP-JOCHJYFZSA-N 2 1 433.553 -0.034 20 0 IBADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CC1 ZINC000473362618 1071536868 /nfs/dbraw/zinc/53/68/68/1071536868.db2.gz QQMQJZQWRQJUSP-QFIPXVFZSA-N 2 1 433.553 -0.034 20 0 IBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475726655 1073151004 /nfs/dbraw/zinc/15/10/04/1073151004.db2.gz WFHGIIGKVVPDBV-FQEVSTJZSA-N 2 1 439.601 -0.578 20 0 IBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475726656 1073150974 /nfs/dbraw/zinc/15/09/74/1073150974.db2.gz WFHGIIGKVVPDBV-HXUWFJFHSA-N 2 1 439.601 -0.578 20 0 IBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000477479851 1073101537 /nfs/dbraw/zinc/10/15/37/1073101537.db2.gz VELREBSBUCQBBS-KRWDZBQOSA-N 2 1 426.587 -0.011 20 0 IBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000477479852 1073101644 /nfs/dbraw/zinc/10/16/44/1073101644.db2.gz VELREBSBUCQBBS-QGZVFWFLSA-N 2 1 426.587 -0.011 20 0 IBADMP CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000477507090 1073102809 /nfs/dbraw/zinc/10/28/09/1073102809.db2.gz KCCJFQVOVAGDNL-UHFFFAOYSA-N 2 1 433.600 -0.205 20 0 IBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000477624785 1073111489 /nfs/dbraw/zinc/11/14/89/1073111489.db2.gz FTJZRRYEXOGFPM-UHFFFAOYSA-N 2 1 432.569 -0.063 20 0 IBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000477683441 1073115125 /nfs/dbraw/zinc/11/51/25/1073115125.db2.gz NRVWEYBBSKSZRA-UHFFFAOYSA-N 2 1 437.585 -0.384 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)n3ncnc3n2)[C@H](C)C1 ZINC000480186572 1073215159 /nfs/dbraw/zinc/21/51/59/1073215159.db2.gz VYJUKGTVYUGBDV-BDXSIMOUSA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)n3ncnc3n2)[C@H](C)C1 ZINC000480186572 1073215155 /nfs/dbraw/zinc/21/51/55/1073215155.db2.gz VYJUKGTVYUGBDV-BDXSIMOUSA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)nc3ncnn32)[C@H](C)C1 ZINC000480186572 1073215147 /nfs/dbraw/zinc/21/51/47/1073215147.db2.gz VYJUKGTVYUGBDV-BDXSIMOUSA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)n3ncnc3n2)[C@@H](C)C1 ZINC000480186575 1073215250 /nfs/dbraw/zinc/21/52/50/1073215250.db2.gz VYJUKGTVYUGBDV-MHORFTMASA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)n3ncnc3n2)[C@@H](C)C1 ZINC000480186575 1073215243 /nfs/dbraw/zinc/21/52/43/1073215243.db2.gz VYJUKGTVYUGBDV-MHORFTMASA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)nc3ncnn32)[C@H](C)C1 ZINC000480186575 1073215238 /nfs/dbraw/zinc/21/52/38/1073215238.db2.gz VYJUKGTVYUGBDV-MHORFTMASA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)n3ncnc3n2)[C@H](C)C1 ZINC000480186577 1073215131 /nfs/dbraw/zinc/21/51/31/1073215131.db2.gz VYJUKGTVYUGBDV-OWSLCNJRSA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)n3ncnc3n2)[C@H](C)C1 ZINC000480186577 1073215126 /nfs/dbraw/zinc/21/51/26/1073215126.db2.gz VYJUKGTVYUGBDV-OWSLCNJRSA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)nc3ncnn32)[C@@H](C)C1 ZINC000480186577 1073215120 /nfs/dbraw/zinc/21/51/20/1073215120.db2.gz VYJUKGTVYUGBDV-OWSLCNJRSA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)n3ncnc3n2)[C@@H](C)C1 ZINC000480186579 1073215074 /nfs/dbraw/zinc/21/50/74/1073215074.db2.gz VYJUKGTVYUGBDV-XSLAGTTESA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)n3ncnc3n2)[C@@H](C)C1 ZINC000480186579 1073215066 /nfs/dbraw/zinc/21/50/66/1073215066.db2.gz VYJUKGTVYUGBDV-XSLAGTTESA-N 2 1 432.573 -0.093 20 0 IBADMP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)nc3ncnn32)[C@@H](C)C1 ZINC000480186579 1073215058 /nfs/dbraw/zinc/21/50/58/1073215058.db2.gz VYJUKGTVYUGBDV-XSLAGTTESA-N 2 1 432.573 -0.093 20 0 IBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000480468196 1073331011 /nfs/dbraw/zinc/33/10/11/1073331011.db2.gz HYUKNCVMMVXBFB-KRWDZBQOSA-N 2 1 426.587 -0.011 20 0 IBADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000480468197 1073330903 /nfs/dbraw/zinc/33/09/03/1073330903.db2.gz HYUKNCVMMVXBFB-QGZVFWFLSA-N 2 1 426.587 -0.011 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481865695 1073405543 /nfs/dbraw/zinc/40/55/43/1073405543.db2.gz MFCVHZLWUQUVFK-INIZCTEOSA-N 2 1 425.621 -0.844 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481865700 1073405608 /nfs/dbraw/zinc/40/56/08/1073405608.db2.gz MFCVHZLWUQUVFK-MRXNPFEDSA-N 2 1 425.621 -0.844 20 0 IBADMP COC(=O)[C@]12C[NH+](CC(O)C[N@H+]3C[C@H]4COCC[C@@]4(C(=O)OC)C3)C[C@H]1COCC2 ZINC000483091982 1072824217 /nfs/dbraw/zinc/82/42/17/1072824217.db2.gz UJUZNNFXYHAADV-LVNJIZSUSA-N 2 1 426.510 -0.630 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105415 1073470647 /nfs/dbraw/zinc/47/06/47/1073470647.db2.gz GOHCIXYMEKMXLD-MOPGFXCFSA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105415 1073470636 /nfs/dbraw/zinc/47/06/36/1073470636.db2.gz GOHCIXYMEKMXLD-MOPGFXCFSA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105417 1073470569 /nfs/dbraw/zinc/47/05/69/1073470569.db2.gz GOHCIXYMEKMXLD-OALUTQOASA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105417 1073470559 /nfs/dbraw/zinc/47/05/59/1073470559.db2.gz GOHCIXYMEKMXLD-OALUTQOASA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105420 1073470694 /nfs/dbraw/zinc/47/06/94/1073470694.db2.gz GOHCIXYMEKMXLD-RBUKOAKNSA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105420 1073470685 /nfs/dbraw/zinc/47/06/85/1073470685.db2.gz GOHCIXYMEKMXLD-RBUKOAKNSA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105423 1073470590 /nfs/dbraw/zinc/47/05/90/1073470590.db2.gz GOHCIXYMEKMXLD-RTBURBONSA-N 2 1 435.569 -0.535 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105423 1073470583 /nfs/dbraw/zinc/47/05/83/1073470583.db2.gz GOHCIXYMEKMXLD-RTBURBONSA-N 2 1 435.569 -0.535 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000484406368 1073484273 /nfs/dbraw/zinc/48/42/73/1073484273.db2.gz MKZMIFXOKMLBBF-GOSISDBHSA-N 2 1 444.536 -0.110 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000484406368 1073484270 /nfs/dbraw/zinc/48/42/70/1073484270.db2.gz MKZMIFXOKMLBBF-GOSISDBHSA-N 2 1 444.536 -0.110 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000484406376 1073484245 /nfs/dbraw/zinc/48/42/45/1073484245.db2.gz MKZMIFXOKMLBBF-SFHVURJKSA-N 2 1 444.536 -0.110 20 0 IBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000484406376 1073484239 /nfs/dbraw/zinc/48/42/39/1073484239.db2.gz MKZMIFXOKMLBBF-SFHVURJKSA-N 2 1 444.536 -0.110 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485279429 1073520892 /nfs/dbraw/zinc/52/08/92/1073520892.db2.gz VZTSBEANUCFHGG-IBGZPJMESA-N 2 1 444.584 -0.063 20 0 IBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485279429 1073520885 /nfs/dbraw/zinc/52/08/85/1073520885.db2.gz VZTSBEANUCFHGG-IBGZPJMESA-N 2 1 444.584 -0.063 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485279432 1073520805 /nfs/dbraw/zinc/52/08/05/1073520805.db2.gz VZTSBEANUCFHGG-LJQANCHMSA-N 2 1 444.584 -0.063 20 0 IBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485279432 1073520800 /nfs/dbraw/zinc/52/08/00/1073520800.db2.gz VZTSBEANUCFHGG-LJQANCHMSA-N 2 1 444.584 -0.063 20 0 IBADMP NS(=O)(=O)C[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000489391851 1073610968 /nfs/dbraw/zinc/61/09/68/1073610968.db2.gz OSVGQHLWSZNARU-HOTGVXAUSA-N 2 1 426.605 -0.996 20 0 IBADMP NS(=O)(=O)C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000489392276 1073611079 /nfs/dbraw/zinc/61/10/79/1073611079.db2.gz OSVGQHLWSZNARU-HZPDHXFCSA-N 2 1 426.605 -0.996 20 0 IBADMP NS(=O)(=O)C[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000489392278 1073611055 /nfs/dbraw/zinc/61/10/55/1073611055.db2.gz OSVGQHLWSZNARU-IYBDPMFKSA-N 2 1 426.605 -0.996 20 0 IBADMP NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000489392278 1073611050 /nfs/dbraw/zinc/61/10/50/1073611050.db2.gz OSVGQHLWSZNARU-IYBDPMFKSA-N 2 1 426.605 -0.996 20 0 IBADMP NS(=O)(=O)C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000489392278 1073611048 /nfs/dbraw/zinc/61/10/48/1073611048.db2.gz OSVGQHLWSZNARU-IYBDPMFKSA-N 2 1 426.605 -0.996 20 0 IBADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598825 1073618432 /nfs/dbraw/zinc/61/84/32/1073618432.db2.gz SFPZNFKIWWVZLP-BQJUDKOJSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598825 1073618429 /nfs/dbraw/zinc/61/84/29/1073618429.db2.gz SFPZNFKIWWVZLP-BQJUDKOJSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000489598825 1073618427 /nfs/dbraw/zinc/61/84/27/1073618427.db2.gz SFPZNFKIWWVZLP-BQJUDKOJSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598826 1073618501 /nfs/dbraw/zinc/61/85/01/1073618501.db2.gz SFPZNFKIWWVZLP-DOIPELPJSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598826 1073618497 /nfs/dbraw/zinc/61/84/97/1073618497.db2.gz SFPZNFKIWWVZLP-DOIPELPJSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000489598826 1073618491 /nfs/dbraw/zinc/61/84/91/1073618491.db2.gz SFPZNFKIWWVZLP-DOIPELPJSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598827 1073619119 /nfs/dbraw/zinc/61/91/19/1073619119.db2.gz SFPZNFKIWWVZLP-JSXRDJHFSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598827 1073619114 /nfs/dbraw/zinc/61/91/14/1073619114.db2.gz SFPZNFKIWWVZLP-JSXRDJHFSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000489598827 1073619108 /nfs/dbraw/zinc/61/91/08/1073619108.db2.gz SFPZNFKIWWVZLP-JSXRDJHFSA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598828 1073619144 /nfs/dbraw/zinc/61/91/44/1073619144.db2.gz SFPZNFKIWWVZLP-WOZUAGRISA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)[C@@H]2C1 ZINC000489598828 1073619137 /nfs/dbraw/zinc/61/91/37/1073619137.db2.gz SFPZNFKIWWVZLP-WOZUAGRISA-N 2 1 430.597 -0.784 20 0 IBADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)[C@@H]2C1 ZINC000489598828 1073619133 /nfs/dbraw/zinc/61/91/33/1073619133.db2.gz SFPZNFKIWWVZLP-WOZUAGRISA-N 2 1 430.597 -0.784 20 0 IBADMP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489712678 1073621612 /nfs/dbraw/zinc/62/16/12/1073621612.db2.gz VSDNGABPIZELOB-HOTGVXAUSA-N 2 1 426.605 -0.970 20 0 IBADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000489712684 1073621730 /nfs/dbraw/zinc/62/17/30/1073621730.db2.gz VSDNGABPIZELOB-HZPDHXFCSA-N 2 1 426.605 -0.970 20 0 IBADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489712687 1073621567 /nfs/dbraw/zinc/62/15/67/1073621567.db2.gz VSDNGABPIZELOB-IYBDPMFKSA-N 2 1 426.605 -0.970 20 0 IBADMP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489712687 1073621562 /nfs/dbraw/zinc/62/15/62/1073621562.db2.gz VSDNGABPIZELOB-IYBDPMFKSA-N 2 1 426.605 -0.970 20 0 IBADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489712687 1073621558 /nfs/dbraw/zinc/62/15/58/1073621558.db2.gz VSDNGABPIZELOB-IYBDPMFKSA-N 2 1 426.605 -0.970 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000490287535 1073638821 /nfs/dbraw/zinc/63/88/21/1073638821.db2.gz MPJQIALKQMNZQP-GOSISDBHSA-N 2 1 441.536 -0.110 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000490287551 1073638871 /nfs/dbraw/zinc/63/88/71/1073638871.db2.gz MPJQIALKQMNZQP-SFHVURJKSA-N 2 1 441.536 -0.110 20 0 IBADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)CCO1 ZINC000490351749 1073641704 /nfs/dbraw/zinc/64/17/04/1073641704.db2.gz DQUWHWZUWYPPDG-INIZCTEOSA-N 2 1 449.556 -0.789 20 0 IBADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)CCO1 ZINC000490351750 1073641854 /nfs/dbraw/zinc/64/18/54/1073641854.db2.gz DQUWHWZUWYPPDG-MRXNPFEDSA-N 2 1 449.556 -0.789 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000490380177 1073644420 /nfs/dbraw/zinc/64/44/20/1073644420.db2.gz TZXQXCYFCBVMMG-UHFFFAOYSA-N 2 1 441.536 -0.326 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000490380177 1073644417 /nfs/dbraw/zinc/64/44/17/1073644417.db2.gz TZXQXCYFCBVMMG-UHFFFAOYSA-N 2 1 441.536 -0.326 20 0 IBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388121 1073645528 /nfs/dbraw/zinc/64/55/28/1073645528.db2.gz UIGIJWWVZJMYBE-BBWFWOEESA-N 2 1 435.573 -0.018 20 0 IBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388125 1073645649 /nfs/dbraw/zinc/64/56/49/1073645649.db2.gz UIGIJWWVZJMYBE-IXDOHACOSA-N 2 1 435.573 -0.018 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000490470889 1073650644 /nfs/dbraw/zinc/65/06/44/1073650644.db2.gz NCMFUBVHSFNEEU-UHFFFAOYSA-N 2 1 433.557 -0.024 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000490500621 1073652133 /nfs/dbraw/zinc/65/21/33/1073652133.db2.gz KZLPDLWECLQHTC-KRWDZBQOSA-N 2 1 433.557 -0.120 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000490500622 1073651914 /nfs/dbraw/zinc/65/19/14/1073651914.db2.gz KZLPDLWECLQHTC-QGZVFWFLSA-N 2 1 433.557 -0.120 20 0 IBADMP CC1(C)C(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000490883494 1073665472 /nfs/dbraw/zinc/66/54/72/1073665472.db2.gz BJQMHCHWBFNWBN-HTAFUYNTSA-N 2 1 446.640 -0.198 20 0 IBADMP CC1(C)C(NC(=O)[C@H]2C[NH+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000490883502 1073666125 /nfs/dbraw/zinc/66/61/25/1073666125.db2.gz BJQMHCHWBFNWBN-NFAVZRQZSA-N 2 1 446.640 -0.198 20 0 IBADMP CC1(C)C(NC(=O)[C@H]2C[NH+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000490883503 1073666081 /nfs/dbraw/zinc/66/60/81/1073666081.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 2 1 446.640 -0.198 20 0 IBADMP CC1(C)C(NC(=O)[C@H]2C[NH+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490883503 1073666075 /nfs/dbraw/zinc/66/60/75/1073666075.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 2 1 446.640 -0.198 20 0 IBADMP CC1(C)C(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000490883503 1073666072 /nfs/dbraw/zinc/66/60/72/1073666072.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 2 1 446.640 -0.198 20 0 IBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)c1 ZINC000491581579 1072586508 /nfs/dbraw/zinc/58/65/08/1072586508.db2.gz NWNSZVAXMXOBJV-UHFFFAOYSA-N 2 1 442.524 -0.448 20 0 IBADMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCC[N@@H+](CCOC)CC3)O2)CC1 ZINC000495140918 1072662925 /nfs/dbraw/zinc/66/29/25/1072662925.db2.gz SJRWKGAXSWEESN-BGYRXZFFSA-N 2 1 440.585 -0.105 20 0 IBADMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCC[N@H+](CCOC)CC3)O2)CC1 ZINC000495140918 1072662921 /nfs/dbraw/zinc/66/29/21/1072662921.db2.gz SJRWKGAXSWEESN-BGYRXZFFSA-N 2 1 440.585 -0.105 20 0 IBADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[N@H+](CCOC)CC3)O2)CC1 ZINC000495140918 1072662918 /nfs/dbraw/zinc/66/29/18/1072662918.db2.gz SJRWKGAXSWEESN-BGYRXZFFSA-N 2 1 440.585 -0.105 20 0 IBADMP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@H+](CCOC)CC3)O2)CC1 ZINC000495140922 1072663400 /nfs/dbraw/zinc/66/34/00/1072663400.db2.gz SJRWKGAXSWEESN-PMACEKPBSA-N 2 1 440.585 -0.105 20 0 IBADMP COCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCC[N@H+](CCOC)CC3)O2)CC1 ZINC000495140923 1072663513 /nfs/dbraw/zinc/66/35/13/1072663513.db2.gz SJRWKGAXSWEESN-WOJBJXKFSA-N 2 1 440.585 -0.105 20 0 IBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000496377190 1072728449 /nfs/dbraw/zinc/72/84/49/1072728449.db2.gz KRTVAGIWUWDDMX-UHFFFAOYSA-N 2 1 436.601 -0.859 20 0 IBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000496377190 1072728438 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/nfs/dbraw/zinc/37/32/68/1073373268.db2.gz MTLZHSOWPWCHOH-QGZVFWFLSA-N 2 1 437.585 -0.243 20 0 IBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000520656889 1072312266 /nfs/dbraw/zinc/31/22/66/1072312266.db2.gz AQNWISXIFCCTEH-UHFFFAOYSA-N 2 1 433.553 -0.022 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1)[C@H]1CCC[NH+](C)C1 ZINC000521704288 1072461200 /nfs/dbraw/zinc/46/12/00/1072461200.db2.gz MIOYOGBDFVFYIV-AVRDEDQJSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1)[C@H]1CCC[NH+](C)C1 ZINC000521704288 1072461197 /nfs/dbraw/zinc/46/11/97/1072461197.db2.gz MIOYOGBDFVFYIV-AVRDEDQJSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[NH+](C)C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000521704288 1072461193 /nfs/dbraw/zinc/46/11/93/1072461193.db2.gz MIOYOGBDFVFYIV-AVRDEDQJSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1)[C@@H]1CCC[NH+](C)C1 ZINC000521704291 1072461221 /nfs/dbraw/zinc/46/12/21/1072461221.db2.gz MIOYOGBDFVFYIV-GCJKJVERSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1)[C@@H]1CCC[NH+](C)C1 ZINC000521704291 1072461219 /nfs/dbraw/zinc/46/12/19/1072461219.db2.gz MIOYOGBDFVFYIV-GCJKJVERSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[NH+](C)C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000521704291 1072461214 /nfs/dbraw/zinc/46/12/14/1072461214.db2.gz MIOYOGBDFVFYIV-GCJKJVERSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1)[C@H]1CCC[NH+](C)C1 ZINC000521704297 1072461270 /nfs/dbraw/zinc/46/12/70/1072461270.db2.gz MIOYOGBDFVFYIV-PGRDOPGGSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1)[C@H]1CCC[NH+](C)C1 ZINC000521704297 1072461266 /nfs/dbraw/zinc/46/12/66/1072461266.db2.gz MIOYOGBDFVFYIV-PGRDOPGGSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000521704297 1072461262 /nfs/dbraw/zinc/46/12/62/1072461262.db2.gz MIOYOGBDFVFYIV-PGRDOPGGSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1)[C@@H]1CCC[NH+](C)C1 ZINC000521704302 1072461070 /nfs/dbraw/zinc/46/10/70/1072461070.db2.gz MIOYOGBDFVFYIV-XMSQKQJNSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1)[C@@H]1CCC[NH+](C)C1 ZINC000521704302 1072461064 /nfs/dbraw/zinc/46/10/64/1072461064.db2.gz MIOYOGBDFVFYIV-XMSQKQJNSA-N 2 1 431.537 -0.026 20 0 IBADMP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000521704302 1072461056 /nfs/dbraw/zinc/46/10/56/1072461056.db2.gz MIOYOGBDFVFYIV-XMSQKQJNSA-N 2 1 431.537 -0.026 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521994122 1072485036 /nfs/dbraw/zinc/48/50/36/1072485036.db2.gz KHCYJUVARHUSEL-IBGZPJMESA-N 2 1 437.585 -0.288 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000521994123 1072484997 /nfs/dbraw/zinc/48/49/97/1072484997.db2.gz KHCYJUVARHUSEL-LJQANCHMSA-N 2 1 437.585 -0.288 20 0 IBADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000523078983 1072622155 /nfs/dbraw/zinc/62/21/55/1072622155.db2.gz JOWNSSZLOBZQBJ-UHFFFAOYSA-N 2 1 432.525 -0.204 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000524590994 1072716690 /nfs/dbraw/zinc/71/66/90/1072716690.db2.gz UGNPPIUPZOJCOY-GOSISDBHSA-N 2 1 432.573 -0.125 20 0 IBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000524590994 1072716683 /nfs/dbraw/zinc/71/66/83/1072716683.db2.gz UGNPPIUPZOJCOY-GOSISDBHSA-N 2 1 432.573 -0.125 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000524590995 1072716817 /nfs/dbraw/zinc/71/68/17/1072716817.db2.gz UGNPPIUPZOJCOY-SFHVURJKSA-N 2 1 432.573 -0.125 20 0 IBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000524590995 1072716808 /nfs/dbraw/zinc/71/68/08/1072716808.db2.gz UGNPPIUPZOJCOY-SFHVURJKSA-N 2 1 432.573 -0.125 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000524914839 1072727838 /nfs/dbraw/zinc/72/78/38/1072727838.db2.gz GQJMIWLPTQALMG-UHFFFAOYSA-N 2 1 431.537 -0.486 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1=O ZINC000525102422 1072737956 /nfs/dbraw/zinc/73/79/56/1072737956.db2.gz OTCOFKCAFJAWOM-AEFFLSMTSA-N 2 1 433.557 -0.168 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1=O ZINC000525102423 1072738017 /nfs/dbraw/zinc/73/80/17/1072738017.db2.gz OTCOFKCAFJAWOM-FUHWJXTLSA-N 2 1 433.557 -0.168 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1=O ZINC000525102424 1072737923 /nfs/dbraw/zinc/73/79/23/1072737923.db2.gz OTCOFKCAFJAWOM-SJLPKXTDSA-N 2 1 433.557 -0.168 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1=O ZINC000525102425 1072737796 /nfs/dbraw/zinc/73/77/96/1072737796.db2.gz OTCOFKCAFJAWOM-WMZOPIPTSA-N 2 1 433.557 -0.168 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cn1 ZINC000525617432 1072763902 /nfs/dbraw/zinc/76/39/02/1072763902.db2.gz LOMQVAMVVFHQHV-GOSISDBHSA-N 2 1 449.556 -0.787 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 ZINC000525617433 1072763790 /nfs/dbraw/zinc/76/37/90/1072763790.db2.gz LOMQVAMVVFHQHV-SFHVURJKSA-N 2 1 449.556 -0.787 20 0 IBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000526131789 1072787430 /nfs/dbraw/zinc/78/74/30/1072787430.db2.gz FGPHSSLCZWOZRO-UHFFFAOYSA-N 3 1 446.596 -0.107 20 0 IBADMP Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)cn1 ZINC000532393563 1072870942 /nfs/dbraw/zinc/87/09/42/1072870942.db2.gz RDUGURLQXYBYLH-UHFFFAOYSA-N 2 1 434.570 -0.095 20 0 IBADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(S(=O)(=O)N4CCOCC4)CC3)cn2)CC1 ZINC000532393672 1072871104 /nfs/dbraw/zinc/87/11/04/1072871104.db2.gz BXNBNCMRJCQEGH-UHFFFAOYSA-N 2 1 439.586 -0.641 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000532960918 1073000215 /nfs/dbraw/zinc/00/02/15/1073000215.db2.gz OJMAITUEOZQARM-UHFFFAOYSA-N 2 1 445.568 -0.300 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000533326531 1072933814 /nfs/dbraw/zinc/93/38/14/1072933814.db2.gz ZKSFWHRBJSIWRP-APWZRJJASA-N 2 1 445.568 -0.025 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000533326532 1072933857 /nfs/dbraw/zinc/93/38/57/1072933857.db2.gz ZKSFWHRBJSIWRP-LPHOPBHVSA-N 2 1 445.568 -0.025 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000533326533 1072933690 /nfs/dbraw/zinc/93/36/90/1072933690.db2.gz ZKSFWHRBJSIWRP-QFBILLFUSA-N 2 1 445.568 -0.025 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000533326534 1072933730 /nfs/dbraw/zinc/93/37/30/1072933730.db2.gz ZKSFWHRBJSIWRP-VQIMIIECSA-N 2 1 445.568 -0.025 20 0 IBADMP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432728 1072941878 /nfs/dbraw/zinc/94/18/78/1072941878.db2.gz FQDNNEUNTIAJFV-QZTJIDSGSA-N 2 1 430.596 -0.066 20 0 IBADMP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432728 1072941872 /nfs/dbraw/zinc/94/18/72/1072941872.db2.gz FQDNNEUNTIAJFV-QZTJIDSGSA-N 2 1 430.596 -0.066 20 0 IBADMP CS(=O)(=O)N[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432729 1072941967 /nfs/dbraw/zinc/94/19/67/1072941967.db2.gz FQDNNEUNTIAJFV-ROUUACIJSA-N 2 1 430.596 -0.066 20 0 IBADMP CS(=O)(=O)N[C@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432729 1072941964 /nfs/dbraw/zinc/94/19/64/1072941964.db2.gz FQDNNEUNTIAJFV-ROUUACIJSA-N 2 1 430.596 -0.066 20 0 IBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000533456034 1072942894 /nfs/dbraw/zinc/94/28/94/1072942894.db2.gz UOLQMKTUJGHBPD-UHFFFAOYSA-N 2 1 433.557 -0.214 20 0 IBADMP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(CC(=O)N3CC[NH+](C)CC3)CC1)c(=O)n2C ZINC000533514345 1072945485 /nfs/dbraw/zinc/94/54/85/1072945485.db2.gz LUAPCWXGSLQWIP-UHFFFAOYSA-N 2 1 445.568 -0.300 20 0 IBADMP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545425 1072949886 /nfs/dbraw/zinc/94/98/86/1072949886.db2.gz XEMIFOMAJZQQLS-QZTJIDSGSA-N 2 1 430.596 -0.066 20 0 IBADMP CNS(=O)(=O)[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545427 1072949825 /nfs/dbraw/zinc/94/98/25/1072949825.db2.gz XEMIFOMAJZQQLS-ROUUACIJSA-N 2 1 430.596 -0.066 20 0 IBADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000534954663 1072430666 /nfs/dbraw/zinc/43/06/66/1072430666.db2.gz SGGUZBUYFYYYRV-KRWDZBQOSA-N 2 1 425.599 -0.050 20 0 IBADMP 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/nfs/dbraw/zinc/05/83/43/1073058343.db2.gz RPUROKSQIZVJAE-QZTJIDSGSA-N 2 1 425.574 -0.480 20 0 IBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000551062942 1073058330 /nfs/dbraw/zinc/05/83/30/1073058330.db2.gz RPUROKSQIZVJAE-QZTJIDSGSA-N 2 1 425.574 -0.480 20 0 IBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000551062944 1073058526 /nfs/dbraw/zinc/05/85/26/1073058526.db2.gz RPUROKSQIZVJAE-ROUUACIJSA-N 2 1 425.574 -0.480 20 0 IBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000551062944 1073058513 /nfs/dbraw/zinc/05/85/13/1073058513.db2.gz RPUROKSQIZVJAE-ROUUACIJSA-N 2 1 425.574 -0.480 20 0 IBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000551062946 1073058621 /nfs/dbraw/zinc/05/86/21/1073058621.db2.gz RPUROKSQIZVJAE-ZWKOTPCHSA-N 2 1 425.574 -0.480 20 0 IBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000551062946 1073058617 /nfs/dbraw/zinc/05/86/17/1073058617.db2.gz RPUROKSQIZVJAE-ZWKOTPCHSA-N 2 1 425.574 -0.480 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120532 1073065041 /nfs/dbraw/zinc/06/50/41/1073065041.db2.gz BYYZGDDLMJXDNC-GHTZIAJQSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120532 1073065031 /nfs/dbraw/zinc/06/50/31/1073065031.db2.gz BYYZGDDLMJXDNC-GHTZIAJQSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000551120532 1073065026 /nfs/dbraw/zinc/06/50/26/1073065026.db2.gz BYYZGDDLMJXDNC-GHTZIAJQSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120535 1073065254 /nfs/dbraw/zinc/06/52/54/1073065254.db2.gz BYYZGDDLMJXDNC-NQIIRXRSSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120535 1073065243 /nfs/dbraw/zinc/06/52/43/1073065243.db2.gz BYYZGDDLMJXDNC-NQIIRXRSSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000551120535 1073065241 /nfs/dbraw/zinc/06/52/41/1073065241.db2.gz BYYZGDDLMJXDNC-NQIIRXRSSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120537 1073065085 /nfs/dbraw/zinc/06/50/85/1073065085.db2.gz BYYZGDDLMJXDNC-RXVVDRJESA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120537 1073065078 /nfs/dbraw/zinc/06/50/78/1073065078.db2.gz BYYZGDDLMJXDNC-RXVVDRJESA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000551120537 1073065068 /nfs/dbraw/zinc/06/50/68/1073065068.db2.gz BYYZGDDLMJXDNC-RXVVDRJESA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120539 1073065186 /nfs/dbraw/zinc/06/51/86/1073065186.db2.gz BYYZGDDLMJXDNC-WIYYLYMNSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CC[NH+](C)CC1 ZINC000551120539 1073065182 /nfs/dbraw/zinc/06/51/82/1073065182.db2.gz BYYZGDDLMJXDNC-WIYYLYMNSA-N 2 1 431.581 -0.131 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000551120539 1073065179 /nfs/dbraw/zinc/06/51/79/1073065179.db2.gz BYYZGDDLMJXDNC-WIYYLYMNSA-N 2 1 431.581 -0.131 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000551123419 1073063943 /nfs/dbraw/zinc/06/39/43/1073063943.db2.gz HNFFNVNAQTWBOP-HKBOAZHASA-N 2 1 436.645 -0.139 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000551123420 1073064151 /nfs/dbraw/zinc/06/41/51/1073064151.db2.gz HNFFNVNAQTWBOP-NJDAHSKKSA-N 2 1 436.645 -0.139 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000551123421 1073064169 /nfs/dbraw/zinc/06/41/69/1073064169.db2.gz HNFFNVNAQTWBOP-NJYVYQBISA-N 2 1 436.645 -0.139 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000551123422 1073064186 /nfs/dbraw/zinc/06/41/86/1073064186.db2.gz HNFFNVNAQTWBOP-QHAWAJNXSA-N 2 1 436.645 -0.139 20 0 IBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000551123462 1073064088 /nfs/dbraw/zinc/06/40/88/1073064088.db2.gz IVKHRQIJYNTILR-CBQMWWCCSA-N 2 1 434.629 -0.245 20 0 IBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000551123462 1073064077 /nfs/dbraw/zinc/06/40/77/1073064077.db2.gz IVKHRQIJYNTILR-CBQMWWCCSA-N 2 1 434.629 -0.245 20 0 IBADMP C[C@@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C[NH+]1CCN(C)CC1 ZINC000551123462 1073064072 /nfs/dbraw/zinc/06/40/72/1073064072.db2.gz IVKHRQIJYNTILR-CBQMWWCCSA-N 2 1 434.629 -0.245 20 0 IBADMP C[C@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000551123463 1073064256 /nfs/dbraw/zinc/06/42/56/1073064256.db2.gz IVKHRQIJYNTILR-MQEZQYLSSA-N 2 1 434.629 -0.245 20 0 IBADMP C[C@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CC[NH+](C)CC1 ZINC000551123463 1073064247 /nfs/dbraw/zinc/06/42/47/1073064247.db2.gz IVKHRQIJYNTILR-MQEZQYLSSA-N 2 1 434.629 -0.245 20 0 IBADMP C[C@H](CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C[NH+]1CCN(C)CC1 ZINC000551123463 1073064237 /nfs/dbraw/zinc/06/42/37/1073064237.db2.gz IVKHRQIJYNTILR-MQEZQYLSSA-N 2 1 434.629 -0.245 20 0 IBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142772 1073067114 /nfs/dbraw/zinc/06/71/14/1073067114.db2.gz KDWYATRSGHJMFA-MSOLQXFVSA-N 2 1 443.552 -0.295 20 0 IBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142773 1073067407 /nfs/dbraw/zinc/06/74/07/1073067407.db2.gz KDWYATRSGHJMFA-QZTJIDSGSA-N 2 1 443.552 -0.295 20 0 IBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142774 1073067251 /nfs/dbraw/zinc/06/72/51/1073067251.db2.gz KDWYATRSGHJMFA-ROUUACIJSA-N 2 1 443.552 -0.295 20 0 IBADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142775 1073067359 /nfs/dbraw/zinc/06/73/59/1073067359.db2.gz KDWYATRSGHJMFA-ZWKOTPCHSA-N 2 1 443.552 -0.295 20 0 IBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000551147824 1073066071 /nfs/dbraw/zinc/06/60/71/1073066071.db2.gz AQGJBLKFKWAXPX-FQEVSTJZSA-N 2 1 436.645 -0.138 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000551147825 1073065865 /nfs/dbraw/zinc/06/58/65/1073065865.db2.gz AQGJBLKFKWAXPX-HXUWFJFHSA-N 2 1 436.645 -0.138 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551151300 1073066057 /nfs/dbraw/zinc/06/60/57/1073066057.db2.gz HYTDLFJBYOHHKU-IBGZPJMESA-N 2 1 446.600 -0.895 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000551151305 1073065836 /nfs/dbraw/zinc/06/58/36/1073065836.db2.gz HYTDLFJBYOHHKU-LJQANCHMSA-N 2 1 446.600 -0.895 20 0 IBADMP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000551164654 1073068335 /nfs/dbraw/zinc/06/83/35/1073068335.db2.gz JHZKVTAZCJFRGO-NRFANRHFSA-N 2 1 430.597 -0.015 20 0 IBADMP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000551164858 1073068384 /nfs/dbraw/zinc/06/83/84/1073068384.db2.gz JHZKVTAZCJFRGO-OAQYLSRUSA-N 2 1 430.597 -0.015 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000551187138 1073069822 /nfs/dbraw/zinc/06/98/22/1073069822.db2.gz BAMHLZVBYZFYRP-UHFFFAOYSA-N 2 1 444.580 -0.359 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000551189131 1073070077 /nfs/dbraw/zinc/07/00/77/1073070077.db2.gz NPEDUFRWUJWFIY-UHFFFAOYSA-N 2 1 437.585 -0.146 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000551189157 1073070143 /nfs/dbraw/zinc/07/01/43/1073070143.db2.gz PFCHSIDPAYBAOE-DFNIBXOVSA-N 2 1 434.585 -0.918 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000551189157 1073070132 /nfs/dbraw/zinc/07/01/32/1073070132.db2.gz PFCHSIDPAYBAOE-DFNIBXOVSA-N 2 1 434.585 -0.918 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551189228 1073069779 /nfs/dbraw/zinc/06/97/79/1073069779.db2.gz SWNVPFPVZZYMRV-FQEVSTJZSA-N 2 1 445.564 -0.280 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551189228 1073069771 /nfs/dbraw/zinc/06/97/71/1073069771.db2.gz SWNVPFPVZZYMRV-FQEVSTJZSA-N 2 1 445.564 -0.280 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551189329 1073070599 /nfs/dbraw/zinc/07/05/99/1073070599.db2.gz SWNVPFPVZZYMRV-HXUWFJFHSA-N 2 1 445.564 -0.280 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551189329 1073070587 /nfs/dbraw/zinc/07/05/87/1073070587.db2.gz SWNVPFPVZZYMRV-HXUWFJFHSA-N 2 1 445.564 -0.280 20 0 IBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000551219261 1073074319 /nfs/dbraw/zinc/07/43/19/1073074319.db2.gz SGVOORCQZZHLGW-NRFANRHFSA-N 2 1 439.626 -0.057 20 0 IBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000551219262 1073074412 /nfs/dbraw/zinc/07/44/12/1073074412.db2.gz SGVOORCQZZHLGW-OAQYLSRUSA-N 2 1 439.626 -0.057 20 0 IBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCSC1 ZINC000551223471 1073074683 /nfs/dbraw/zinc/07/46/83/1073074683.db2.gz SYKNGZARJQKWMJ-FQEVSTJZSA-N 2 1 435.598 -0.342 20 0 IBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCSC1 ZINC000551223480 1073074847 /nfs/dbraw/zinc/07/48/47/1073074847.db2.gz SYKNGZARJQKWMJ-HXUWFJFHSA-N 2 1 435.598 -0.342 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000551625312 1073097318 /nfs/dbraw/zinc/09/73/18/1073097318.db2.gz KEOLUACCLODNHC-INIZCTEOSA-N 2 1 433.557 -0.168 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000551625313 1073097132 /nfs/dbraw/zinc/09/71/32/1073097132.db2.gz KEOLUACCLODNHC-MRXNPFEDSA-N 2 1 433.557 -0.168 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000552414656 1073203783 /nfs/dbraw/zinc/20/37/83/1073203783.db2.gz XPTGMCQZJVCPSB-UHFFFAOYSA-N 2 1 446.596 -0.264 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000552415861 1073203796 /nfs/dbraw/zinc/20/37/96/1073203796.db2.gz HNEWCAVFTFOUEI-IBGZPJMESA-N 2 1 445.564 -0.225 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000552415867 1073203848 /nfs/dbraw/zinc/20/38/48/1073203848.db2.gz HNEWCAVFTFOUEI-LJQANCHMSA-N 2 1 445.564 -0.225 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000552428899 1073204826 /nfs/dbraw/zinc/20/48/26/1073204826.db2.gz VSFHABUEPMWURX-UHFFFAOYSA-N 2 1 445.564 -0.083 20 0 IBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430357 1073204770 /nfs/dbraw/zinc/20/47/70/1073204770.db2.gz NXIRNLGOQQFLTF-KRWDZBQOSA-N 2 1 447.580 -0.102 20 0 IBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430357 1073204763 /nfs/dbraw/zinc/20/47/63/1073204763.db2.gz NXIRNLGOQQFLTF-KRWDZBQOSA-N 2 1 447.580 -0.102 20 0 IBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430358 1073204850 /nfs/dbraw/zinc/20/48/50/1073204850.db2.gz NXIRNLGOQQFLTF-QGZVFWFLSA-N 2 1 447.580 -0.102 20 0 IBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000552430358 1073204847 /nfs/dbraw/zinc/20/48/47/1073204847.db2.gz NXIRNLGOQQFLTF-QGZVFWFLSA-N 2 1 447.580 -0.102 20 0 IBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cn2)CC1 ZINC000552550141 1073212489 /nfs/dbraw/zinc/21/24/89/1073212489.db2.gz LPIQTIQLUKYBPF-GOSISDBHSA-N 2 1 445.568 -0.847 20 0 IBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cn2)CC1 ZINC000552550142 1073212443 /nfs/dbraw/zinc/21/24/43/1073212443.db2.gz LPIQTIQLUKYBPF-SFHVURJKSA-N 2 1 445.568 -0.847 20 0 IBADMP Cc1cc(N2CCC(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)nc(C)[nH+]1 ZINC000552550408 1073212260 /nfs/dbraw/zinc/21/22/60/1073212260.db2.gz WABXTTPFEZOYMC-KRWDZBQOSA-N 2 1 445.568 -0.118 20 0 IBADMP Cc1cc(N2CCC(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)nc(C)[nH+]1 ZINC000552550408 1073212255 /nfs/dbraw/zinc/21/22/55/1073212255.db2.gz WABXTTPFEZOYMC-KRWDZBQOSA-N 2 1 445.568 -0.118 20 0 IBADMP Cc1cc(N2CCC(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)nc(C)[nH+]1 ZINC000552550409 1073212388 /nfs/dbraw/zinc/21/23/88/1073212388.db2.gz WABXTTPFEZOYMC-QGZVFWFLSA-N 2 1 445.568 -0.118 20 0 IBADMP Cc1cc(N2CCC(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)nc(C)[nH+]1 ZINC000552550409 1073212381 /nfs/dbraw/zinc/21/23/81/1073212381.db2.gz WABXTTPFEZOYMC-QGZVFWFLSA-N 2 1 445.568 -0.118 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000552551229 1073212887 /nfs/dbraw/zinc/21/28/87/1073212887.db2.gz GRRPAGCQBZNFJZ-GOSISDBHSA-N 2 1 437.585 -0.159 20 0 IBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000552551229 1073212880 /nfs/dbraw/zinc/21/28/80/1073212880.db2.gz GRRPAGCQBZNFJZ-GOSISDBHSA-N 2 1 437.585 -0.159 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000552551230 1073212962 /nfs/dbraw/zinc/21/29/62/1073212962.db2.gz GRRPAGCQBZNFJZ-SFHVURJKSA-N 2 1 437.585 -0.159 20 0 IBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000552551230 1073212958 /nfs/dbraw/zinc/21/29/58/1073212958.db2.gz GRRPAGCQBZNFJZ-SFHVURJKSA-N 2 1 437.585 -0.159 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552821 1073212707 /nfs/dbraw/zinc/21/27/07/1073212707.db2.gz QAIVPTSJSFCIPT-HCXYKTFWSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552821 1073212693 /nfs/dbraw/zinc/21/26/93/1073212693.db2.gz QAIVPTSJSFCIPT-HCXYKTFWSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552821 1073212691 /nfs/dbraw/zinc/21/26/91/1073212691.db2.gz QAIVPTSJSFCIPT-HCXYKTFWSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552821 1073212679 /nfs/dbraw/zinc/21/26/79/1073212679.db2.gz QAIVPTSJSFCIPT-HCXYKTFWSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552552822 1073212981 /nfs/dbraw/zinc/21/29/81/1073212981.db2.gz QAIVPTSJSFCIPT-MKXGPGLRSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552552822 1073212977 /nfs/dbraw/zinc/21/29/77/1073212977.db2.gz QAIVPTSJSFCIPT-MKXGPGLRSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552823 1073212846 /nfs/dbraw/zinc/21/28/46/1073212846.db2.gz QAIVPTSJSFCIPT-RDGPPVDQSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552823 1073212838 /nfs/dbraw/zinc/21/28/38/1073212838.db2.gz QAIVPTSJSFCIPT-RDGPPVDQSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552823 1073212830 /nfs/dbraw/zinc/21/28/30/1073212830.db2.gz QAIVPTSJSFCIPT-RDGPPVDQSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552552823 1073212822 /nfs/dbraw/zinc/21/28/22/1073212822.db2.gz QAIVPTSJSFCIPT-RDGPPVDQSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552552824 1073212998 /nfs/dbraw/zinc/21/29/98/1073212998.db2.gz QAIVPTSJSFCIPT-YRXWBPOGSA-N 2 1 437.585 -0.210 20 0 IBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552552824 1073212993 /nfs/dbraw/zinc/21/29/93/1073212993.db2.gz QAIVPTSJSFCIPT-YRXWBPOGSA-N 2 1 437.585 -0.210 20 0 IBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554034 1073213037 /nfs/dbraw/zinc/21/30/37/1073213037.db2.gz OQPZIXFQFXMXGS-IBGZPJMESA-N 2 1 429.565 -0.095 20 0 IBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554035 1073212769 /nfs/dbraw/zinc/21/27/69/1073212769.db2.gz OQPZIXFQFXMXGS-LJQANCHMSA-N 2 1 429.565 -0.095 20 0 IBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557328 1073213502 /nfs/dbraw/zinc/21/35/02/1073213502.db2.gz RYIAPVOUNQUIHL-INIZCTEOSA-N 2 1 425.574 -0.304 20 0 IBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557332 1073213484 /nfs/dbraw/zinc/21/34/84/1073213484.db2.gz RYIAPVOUNQUIHL-MRXNPFEDSA-N 2 1 425.574 -0.304 20 0 IBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000552663989 1073220165 /nfs/dbraw/zinc/22/01/65/1073220165.db2.gz NJSFUDBMEWSWKX-UHFFFAOYSA-N 2 1 432.569 -0.245 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000552776879 1073227804 /nfs/dbraw/zinc/22/78/04/1073227804.db2.gz QVJNZEAUNBDBED-KRWDZBQOSA-N 2 1 447.580 -0.102 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000552776879 1073227802 /nfs/dbraw/zinc/22/78/02/1073227802.db2.gz QVJNZEAUNBDBED-KRWDZBQOSA-N 2 1 447.580 -0.102 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000552776882 1073227794 /nfs/dbraw/zinc/22/77/94/1073227794.db2.gz QVJNZEAUNBDBED-QGZVFWFLSA-N 2 1 447.580 -0.102 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000552776882 1073227790 /nfs/dbraw/zinc/22/77/90/1073227790.db2.gz QVJNZEAUNBDBED-QGZVFWFLSA-N 2 1 447.580 -0.102 20 0 IBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC000552801414 1073229458 /nfs/dbraw/zinc/22/94/58/1073229458.db2.gz GAMKOPCLVFSZJI-MOPGFXCFSA-N 2 1 436.601 -0.716 20 0 IBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)CC1 ZINC000552801415 1073229516 /nfs/dbraw/zinc/22/95/16/1073229516.db2.gz GAMKOPCLVFSZJI-OALUTQOASA-N 2 1 436.601 -0.716 20 0 IBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC000552801416 1073229358 /nfs/dbraw/zinc/22/93/58/1073229358.db2.gz GAMKOPCLVFSZJI-RBUKOAKNSA-N 2 1 436.601 -0.716 20 0 IBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)CC1 ZINC000552801417 1073229491 /nfs/dbraw/zinc/22/94/91/1073229491.db2.gz GAMKOPCLVFSZJI-RTBURBONSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552805337 1073228159 /nfs/dbraw/zinc/22/81/59/1073228159.db2.gz XMYBHPFLDWZRPS-OALUTQOASA-N 2 1 437.585 -0.384 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000552805338 1073228028 /nfs/dbraw/zinc/22/80/28/1073228028.db2.gz XMYBHPFLDWZRPS-RBUKOAKNSA-N 2 1 437.585 -0.384 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000552867844 1073233407 /nfs/dbraw/zinc/23/34/07/1073233407.db2.gz MIUATKIVAJRRHA-UHFFFAOYSA-N 2 1 449.596 -0.288 20 0 IBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000552890216 1073233918 /nfs/dbraw/zinc/23/39/18/1073233918.db2.gz AYRUPWUMCLBYND-IBGZPJMESA-N 2 1 436.601 -0.824 20 0 IBADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000552890217 1073233905 /nfs/dbraw/zinc/23/39/05/1073233905.db2.gz AYRUPWUMCLBYND-LJQANCHMSA-N 2 1 436.601 -0.824 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000552891783 1073234550 /nfs/dbraw/zinc/23/45/50/1073234550.db2.gz LGWRMGJYJAZHRF-GOSISDBHSA-N 2 1 437.585 -0.207 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000552891784 1073234382 /nfs/dbraw/zinc/23/43/82/1073234382.db2.gz LGWRMGJYJAZHRF-SFHVURJKSA-N 2 1 437.585 -0.207 20 0 IBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000552898687 1073235476 /nfs/dbraw/zinc/23/54/76/1073235476.db2.gz ATZVNNIYHYLLQQ-PMACEKPBSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000552898687 1073235474 /nfs/dbraw/zinc/23/54/74/1073235474.db2.gz ATZVNNIYHYLLQQ-PMACEKPBSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000552898687 1073235472 /nfs/dbraw/zinc/23/54/72/1073235472.db2.gz ATZVNNIYHYLLQQ-PMACEKPBSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000552898688 1073235421 /nfs/dbraw/zinc/23/54/21/1073235421.db2.gz ATZVNNIYHYLLQQ-UXHICEINSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000552898688 1073235419 /nfs/dbraw/zinc/23/54/19/1073235419.db2.gz ATZVNNIYHYLLQQ-UXHICEINSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000552898688 1073235415 /nfs/dbraw/zinc/23/54/15/1073235415.db2.gz ATZVNNIYHYLLQQ-UXHICEINSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000552898689 1073235944 /nfs/dbraw/zinc/23/59/44/1073235944.db2.gz ATZVNNIYHYLLQQ-VQTJNVASSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000552898689 1073235941 /nfs/dbraw/zinc/23/59/41/1073235941.db2.gz ATZVNNIYHYLLQQ-VQTJNVASSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000552898689 1073235938 /nfs/dbraw/zinc/23/59/38/1073235938.db2.gz ATZVNNIYHYLLQQ-VQTJNVASSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000552898690 1073235850 /nfs/dbraw/zinc/23/58/50/1073235850.db2.gz ATZVNNIYHYLLQQ-WOJBJXKFSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000552898690 1073235843 /nfs/dbraw/zinc/23/58/43/1073235843.db2.gz ATZVNNIYHYLLQQ-WOJBJXKFSA-N 2 1 445.564 -0.427 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000552898690 1073235840 /nfs/dbraw/zinc/23/58/40/1073235840.db2.gz ATZVNNIYHYLLQQ-WOJBJXKFSA-N 2 1 445.564 -0.427 20 0 IBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552899439 1073235914 /nfs/dbraw/zinc/23/59/14/1073235914.db2.gz PTTXVBPZIRQDGW-KRWDZBQOSA-N 2 1 425.574 -0.493 20 0 IBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552899439 1073235908 /nfs/dbraw/zinc/23/59/08/1073235908.db2.gz PTTXVBPZIRQDGW-KRWDZBQOSA-N 2 1 425.574 -0.493 20 0 IBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552899444 1073236040 /nfs/dbraw/zinc/23/60/40/1073236040.db2.gz PTTXVBPZIRQDGW-QGZVFWFLSA-N 2 1 425.574 -0.493 20 0 IBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552899444 1073236036 /nfs/dbraw/zinc/23/60/36/1073236036.db2.gz PTTXVBPZIRQDGW-QGZVFWFLSA-N 2 1 425.574 -0.493 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000552902817 1073236010 /nfs/dbraw/zinc/23/60/10/1073236010.db2.gz GZBSGVXFZFCEGO-GOSISDBHSA-N 2 1 430.553 -0.134 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000552902822 1073235925 /nfs/dbraw/zinc/23/59/25/1073235925.db2.gz GZBSGVXFZFCEGO-SFHVURJKSA-N 2 1 430.553 -0.134 20 0 IBADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552903056 1073235769 /nfs/dbraw/zinc/23/57/69/1073235769.db2.gz JRICEWFSKZWOIR-MOPGFXCFSA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552903056 1073235763 /nfs/dbraw/zinc/23/57/63/1073235763.db2.gz JRICEWFSKZWOIR-MOPGFXCFSA-N 2 1 436.601 -0.682 20 0 IBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552903056 1073235754 /nfs/dbraw/zinc/23/57/54/1073235754.db2.gz JRICEWFSKZWOIR-MOPGFXCFSA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552903057 1073235958 /nfs/dbraw/zinc/23/59/58/1073235958.db2.gz JRICEWFSKZWOIR-OALUTQOASA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552903057 1073235955 /nfs/dbraw/zinc/23/59/55/1073235955.db2.gz JRICEWFSKZWOIR-OALUTQOASA-N 2 1 436.601 -0.682 20 0 IBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552903057 1073235951 /nfs/dbraw/zinc/23/59/51/1073235951.db2.gz JRICEWFSKZWOIR-OALUTQOASA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552903058 1073235811 /nfs/dbraw/zinc/23/58/11/1073235811.db2.gz JRICEWFSKZWOIR-RBUKOAKNSA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552903058 1073235806 /nfs/dbraw/zinc/23/58/06/1073235806.db2.gz JRICEWFSKZWOIR-RBUKOAKNSA-N 2 1 436.601 -0.682 20 0 IBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552903058 1073235800 /nfs/dbraw/zinc/23/58/00/1073235800.db2.gz JRICEWFSKZWOIR-RBUKOAKNSA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552903059 1073236516 /nfs/dbraw/zinc/23/65/16/1073236516.db2.gz JRICEWFSKZWOIR-RTBURBONSA-N 2 1 436.601 -0.682 20 0 IBADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552903059 1073236514 /nfs/dbraw/zinc/23/65/14/1073236514.db2.gz JRICEWFSKZWOIR-RTBURBONSA-N 2 1 436.601 -0.682 20 0 IBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552903059 1073236511 /nfs/dbraw/zinc/23/65/11/1073236511.db2.gz JRICEWFSKZWOIR-RTBURBONSA-N 2 1 436.601 -0.682 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000552970511 1073241786 /nfs/dbraw/zinc/24/17/86/1073241786.db2.gz HESITWHOWUCRRR-UHFFFAOYSA-N 2 1 425.574 -0.526 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000552970511 1073241778 /nfs/dbraw/zinc/24/17/78/1073241778.db2.gz HESITWHOWUCRRR-UHFFFAOYSA-N 2 1 425.574 -0.526 20 0 IBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000553148232 1073252395 /nfs/dbraw/zinc/25/23/95/1073252395.db2.gz KMSMZMZPOBZKAO-HKUYNNGSSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000553148232 1073252388 /nfs/dbraw/zinc/25/23/88/1073252388.db2.gz KMSMZMZPOBZKAO-HKUYNNGSSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000553148232 1073252386 /nfs/dbraw/zinc/25/23/86/1073252386.db2.gz KMSMZMZPOBZKAO-HKUYNNGSSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000553148233 1073252429 /nfs/dbraw/zinc/25/24/29/1073252429.db2.gz KMSMZMZPOBZKAO-PKOBYXMFSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000553148233 1073252424 /nfs/dbraw/zinc/25/24/24/1073252424.db2.gz KMSMZMZPOBZKAO-PKOBYXMFSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000553148233 1073252420 /nfs/dbraw/zinc/25/24/20/1073252420.db2.gz KMSMZMZPOBZKAO-PKOBYXMFSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149641 1073252529 /nfs/dbraw/zinc/25/25/29/1073252529.db2.gz JLHPTCQBTOVQOC-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149641 1073252524 /nfs/dbraw/zinc/25/25/24/1073252524.db2.gz JLHPTCQBTOVQOC-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000553149641 1073252518 /nfs/dbraw/zinc/25/25/18/1073252518.db2.gz JLHPTCQBTOVQOC-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000553149641 1073252514 /nfs/dbraw/zinc/25/25/14/1073252514.db2.gz JLHPTCQBTOVQOC-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149642 1073252477 /nfs/dbraw/zinc/25/24/77/1073252477.db2.gz JLHPTCQBTOVQOC-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149642 1073252472 /nfs/dbraw/zinc/25/24/72/1073252472.db2.gz JLHPTCQBTOVQOC-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000553149642 1073252467 /nfs/dbraw/zinc/25/24/67/1073252467.db2.gz JLHPTCQBTOVQOC-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000553149642 1073252460 /nfs/dbraw/zinc/25/24/60/1073252460.db2.gz JLHPTCQBTOVQOC-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149643 1073252493 /nfs/dbraw/zinc/25/24/93/1073252493.db2.gz JLHPTCQBTOVQOC-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149643 1073252492 /nfs/dbraw/zinc/25/24/92/1073252492.db2.gz JLHPTCQBTOVQOC-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000553149643 1073252491 /nfs/dbraw/zinc/25/24/91/1073252491.db2.gz JLHPTCQBTOVQOC-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000553149643 1073252490 /nfs/dbraw/zinc/25/24/90/1073252490.db2.gz JLHPTCQBTOVQOC-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149644 1073252705 /nfs/dbraw/zinc/25/27/05/1073252705.db2.gz JLHPTCQBTOVQOC-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH+]1CC(C)(C)O ZINC000553149644 1073252702 /nfs/dbraw/zinc/25/27/02/1073252702.db2.gz JLHPTCQBTOVQOC-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000553149644 1073252699 /nfs/dbraw/zinc/25/26/99/1073252699.db2.gz JLHPTCQBTOVQOC-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000553149644 1073252695 /nfs/dbraw/zinc/25/26/95/1073252695.db2.gz JLHPTCQBTOVQOC-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000553149717 1073252754 /nfs/dbraw/zinc/25/27/54/1073252754.db2.gz KMSMZMZPOBZKAO-IEBWSBKVSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000553149717 1073252751 /nfs/dbraw/zinc/25/27/51/1073252751.db2.gz KMSMZMZPOBZKAO-IEBWSBKVSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000553149717 1073252747 /nfs/dbraw/zinc/25/27/47/1073252747.db2.gz KMSMZMZPOBZKAO-IEBWSBKVSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000553149719 1073252614 /nfs/dbraw/zinc/25/26/14/1073252614.db2.gz KMSMZMZPOBZKAO-MJGOQNOKSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000553149719 1073252609 /nfs/dbraw/zinc/25/26/09/1073252609.db2.gz KMSMZMZPOBZKAO-MJGOQNOKSA-N 2 1 437.585 -0.243 20 0 IBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000553149719 1073252600 /nfs/dbraw/zinc/25/26/00/1073252600.db2.gz KMSMZMZPOBZKAO-MJGOQNOKSA-N 2 1 437.585 -0.243 20 0 IBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000553397242 1073267689 /nfs/dbraw/zinc/26/76/89/1073267689.db2.gz OLMVJDDZWYWZII-IBGZPJMESA-N 2 1 437.585 -0.336 20 0 IBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000553397243 1073267769 /nfs/dbraw/zinc/26/77/69/1073267769.db2.gz OLMVJDDZWYWZII-LJQANCHMSA-N 2 1 437.585 -0.336 20 0 IBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553503814 1073272992 /nfs/dbraw/zinc/27/29/92/1073272992.db2.gz GFOWUDKRBNBIAR-PMACEKPBSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553503814 1073272987 /nfs/dbraw/zinc/27/29/87/1073272987.db2.gz GFOWUDKRBNBIAR-PMACEKPBSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553503814 1073272984 /nfs/dbraw/zinc/27/29/84/1073272984.db2.gz GFOWUDKRBNBIAR-PMACEKPBSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553503815 1073273099 /nfs/dbraw/zinc/27/30/99/1073273099.db2.gz GFOWUDKRBNBIAR-UXHICEINSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553503815 1073273094 /nfs/dbraw/zinc/27/30/94/1073273094.db2.gz GFOWUDKRBNBIAR-UXHICEINSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553503815 1073273089 /nfs/dbraw/zinc/27/30/89/1073273089.db2.gz GFOWUDKRBNBIAR-UXHICEINSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553503816 1073273666 /nfs/dbraw/zinc/27/36/66/1073273666.db2.gz GFOWUDKRBNBIAR-VQTJNVASSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553503816 1073273659 /nfs/dbraw/zinc/27/36/59/1073273659.db2.gz GFOWUDKRBNBIAR-VQTJNVASSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000553503816 1073273654 /nfs/dbraw/zinc/27/36/54/1073273654.db2.gz GFOWUDKRBNBIAR-VQTJNVASSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553503817 1073273540 /nfs/dbraw/zinc/27/35/40/1073273540.db2.gz GFOWUDKRBNBIAR-WOJBJXKFSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553503817 1073273535 /nfs/dbraw/zinc/27/35/35/1073273535.db2.gz GFOWUDKRBNBIAR-WOJBJXKFSA-N 2 1 444.580 -0.638 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000553503817 1073273532 /nfs/dbraw/zinc/27/35/32/1073273532.db2.gz GFOWUDKRBNBIAR-WOJBJXKFSA-N 2 1 444.580 -0.638 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000553760104 1073284213 /nfs/dbraw/zinc/28/42/13/1073284213.db2.gz CSXDRUPLOOVDJV-INIZCTEOSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000553760104 1073284209 /nfs/dbraw/zinc/28/42/09/1073284209.db2.gz CSXDRUPLOOVDJV-INIZCTEOSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000553760105 1073284305 /nfs/dbraw/zinc/28/43/05/1073284305.db2.gz CSXDRUPLOOVDJV-MRXNPFEDSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000553760105 1073284301 /nfs/dbraw/zinc/28/43/01/1073284301.db2.gz CSXDRUPLOOVDJV-MRXNPFEDSA-N 2 1 425.574 -0.651 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000553760943 1073283086 /nfs/dbraw/zinc/28/30/86/1073283086.db2.gz PCZREDVSULOPLH-UHFFFAOYSA-N 2 1 439.601 -0.138 20 0 IBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000553763748 1073285469 /nfs/dbraw/zinc/28/54/69/1073285469.db2.gz QACLALQGGMWGRA-INIZCTEOSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000553763748 1073285465 /nfs/dbraw/zinc/28/54/65/1073285465.db2.gz QACLALQGGMWGRA-INIZCTEOSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000553763750 1073285454 /nfs/dbraw/zinc/28/54/54/1073285454.db2.gz QACLALQGGMWGRA-MRXNPFEDSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000553763750 1073285452 /nfs/dbraw/zinc/28/54/52/1073285452.db2.gz QACLALQGGMWGRA-MRXNPFEDSA-N 2 1 425.574 -0.651 20 0 IBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000553782319 1073285099 /nfs/dbraw/zinc/28/50/99/1073285099.db2.gz JUVSLFVFKOSJDY-HKUYNNGSSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000553782319 1073285096 /nfs/dbraw/zinc/28/50/96/1073285096.db2.gz JUVSLFVFKOSJDY-HKUYNNGSSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000553782320 1073285510 /nfs/dbraw/zinc/28/55/10/1073285510.db2.gz JUVSLFVFKOSJDY-IEBWSBKVSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000553782320 1073285504 /nfs/dbraw/zinc/28/55/04/1073285504.db2.gz JUVSLFVFKOSJDY-IEBWSBKVSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000553782321 1073285544 /nfs/dbraw/zinc/28/55/44/1073285544.db2.gz JUVSLFVFKOSJDY-MJGOQNOKSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000553782321 1073285539 /nfs/dbraw/zinc/28/55/39/1073285539.db2.gz JUVSLFVFKOSJDY-MJGOQNOKSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000553782322 1073285654 /nfs/dbraw/zinc/28/56/54/1073285654.db2.gz JUVSLFVFKOSJDY-PKOBYXMFSA-N 2 1 439.601 -0.092 20 0 IBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000553782322 1073285650 /nfs/dbraw/zinc/28/56/50/1073285650.db2.gz JUVSLFVFKOSJDY-PKOBYXMFSA-N 2 1 439.601 -0.092 20 0 IBADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C ZINC000553834090 1073287239 /nfs/dbraw/zinc/28/72/39/1073287239.db2.gz DHTNFHHIOMQSGJ-UHFFFAOYSA-N 2 1 447.584 -0.057 20 0 IBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000553958476 1073292687 /nfs/dbraw/zinc/29/26/87/1073292687.db2.gz LORNSXVRXBQRMR-UHFFFAOYSA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000554105827 1073302877 /nfs/dbraw/zinc/30/28/77/1073302877.db2.gz ZIKCVEVFJOCIHZ-CALCHBBNSA-N 2 1 425.574 -0.339 20 0 IBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000554124808 1073305236 /nfs/dbraw/zinc/30/52/36/1073305236.db2.gz UUUMZDABUHCCTP-UHFFFAOYSA-N 2 1 432.525 -0.592 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000554127463 1073305447 /nfs/dbraw/zinc/30/54/47/1073305447.db2.gz LPVNBPACHVVWJJ-UHFFFAOYSA-N 2 1 437.585 -0.241 20 0 IBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000554343889 1073318953 /nfs/dbraw/zinc/31/89/53/1073318953.db2.gz XNULFTGWLDVCOS-NRFANRHFSA-N 2 1 430.597 -0.375 20 0 IBADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000554343889 1073318947 /nfs/dbraw/zinc/31/89/47/1073318947.db2.gz XNULFTGWLDVCOS-NRFANRHFSA-N 2 1 430.597 -0.375 20 0 IBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000554343889 1073318941 /nfs/dbraw/zinc/31/89/41/1073318941.db2.gz XNULFTGWLDVCOS-NRFANRHFSA-N 2 1 430.597 -0.375 20 0 IBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000554343890 1073318476 /nfs/dbraw/zinc/31/84/76/1073318476.db2.gz XNULFTGWLDVCOS-OAQYLSRUSA-N 2 1 430.597 -0.375 20 0 IBADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000554343890 1073318463 /nfs/dbraw/zinc/31/84/63/1073318463.db2.gz XNULFTGWLDVCOS-OAQYLSRUSA-N 2 1 430.597 -0.375 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000554343890 1073318450 /nfs/dbraw/zinc/31/84/50/1073318450.db2.gz XNULFTGWLDVCOS-OAQYLSRUSA-N 2 1 430.597 -0.375 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000554452937 1073323157 /nfs/dbraw/zinc/32/31/57/1073323157.db2.gz MSZHPOUMPNRBHP-IBGZPJMESA-N 2 1 437.585 -0.192 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000554452938 1073324034 /nfs/dbraw/zinc/32/40/34/1073324034.db2.gz MSZHPOUMPNRBHP-LJQANCHMSA-N 2 1 437.585 -0.192 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000554715545 1073337486 /nfs/dbraw/zinc/33/74/86/1073337486.db2.gz RHCIJWOCCHUCPW-CEXWTWQISA-N 2 1 437.585 -0.461 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000554715546 1073337376 /nfs/dbraw/zinc/33/73/76/1073337376.db2.gz RHCIJWOCCHUCPW-FHWLQOOXSA-N 2 1 437.585 -0.461 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000554715547 1073337449 /nfs/dbraw/zinc/33/74/49/1073337449.db2.gz RHCIJWOCCHUCPW-GBESFXJTSA-N 2 1 437.585 -0.461 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000554715548 1073337542 /nfs/dbraw/zinc/33/75/42/1073337542.db2.gz RHCIJWOCCHUCPW-QYZOEREBSA-N 2 1 437.585 -0.461 20 0 IBADMP CN(CCC[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)CC[NH+](C)C ZINC000554744043 1073339580 /nfs/dbraw/zinc/33/95/80/1073339580.db2.gz SOBPIADXRFEWCC-UHFFFAOYSA-N 2 1 431.589 -0.173 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000555319612 1073362076 /nfs/dbraw/zinc/36/20/76/1073362076.db2.gz VDKOQEZDTSGAHT-MSOLQXFVSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000555319612 1073362067 /nfs/dbraw/zinc/36/20/67/1073362067.db2.gz VDKOQEZDTSGAHT-MSOLQXFVSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1)[C@H]1C[NH+]2CCN1CCC2 ZINC000555319612 1073362065 /nfs/dbraw/zinc/36/20/65/1073362065.db2.gz VDKOQEZDTSGAHT-MSOLQXFVSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000555319613 1073362111 /nfs/dbraw/zinc/36/21/11/1073362111.db2.gz VDKOQEZDTSGAHT-QZTJIDSGSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000555319613 1073362105 /nfs/dbraw/zinc/36/21/05/1073362105.db2.gz VDKOQEZDTSGAHT-QZTJIDSGSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)n1)[C@H]1C[NH+]2CCN1CCC2 ZINC000555319613 1073362100 /nfs/dbraw/zinc/36/21/00/1073362100.db2.gz VDKOQEZDTSGAHT-QZTJIDSGSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000555319614 1073362177 /nfs/dbraw/zinc/36/21/77/1073362177.db2.gz VDKOQEZDTSGAHT-ROUUACIJSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000555319614 1073362171 /nfs/dbraw/zinc/36/21/71/1073362171.db2.gz VDKOQEZDTSGAHT-ROUUACIJSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(NCCc1csc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000555319614 1073362164 /nfs/dbraw/zinc/36/21/64/1073362164.db2.gz VDKOQEZDTSGAHT-ROUUACIJSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(Nc1nc(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cs1)[C@H]1C[NH+]2CCN1CCC2 ZINC000555319615 1073361992 /nfs/dbraw/zinc/36/19/92/1073361992.db2.gz VDKOQEZDTSGAHT-ZWKOTPCHSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(Nc1nc(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cs1)[C@H]1C[NH+]2CCN1CCC2 ZINC000555319615 1073361986 /nfs/dbraw/zinc/36/19/86/1073361986.db2.gz VDKOQEZDTSGAHT-ZWKOTPCHSA-N 2 1 447.609 -0.480 20 0 IBADMP O=C(Nc1nc(CCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)cs1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000555319615 1073361978 /nfs/dbraw/zinc/36/19/78/1073361978.db2.gz VDKOQEZDTSGAHT-ZWKOTPCHSA-N 2 1 447.609 -0.480 20 0 IBADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000555613346 1073371910 /nfs/dbraw/zinc/37/19/10/1073371910.db2.gz WBLIZXHXHKIVGF-UHFFFAOYSA-N 2 1 439.601 -0.233 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+](CCN(C)C)CC3)cn2)CC1 ZINC000555975468 1073400044 /nfs/dbraw/zinc/40/00/44/1073400044.db2.gz RGRSTKQEXHDBSW-UHFFFAOYSA-N 2 1 445.612 -0.018 20 0 IBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)ccn2)CC1 ZINC000555989466 1073402096 /nfs/dbraw/zinc/40/20/96/1073402096.db2.gz FXZYMPYQBIRUQH-UHFFFAOYSA-N 2 1 431.585 -0.408 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000556098414 1072818556 /nfs/dbraw/zinc/81/85/56/1072818556.db2.gz OVSCSDOKBMDBSZ-BGYRXZFFSA-N 2 1 427.549 -0.143 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000556098414 1072818544 /nfs/dbraw/zinc/81/85/44/1072818544.db2.gz OVSCSDOKBMDBSZ-BGYRXZFFSA-N 2 1 427.549 -0.143 20 0 IBADMP COC1CC[NH+](C2(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000556101690 1072818951 /nfs/dbraw/zinc/81/89/51/1072818951.db2.gz ZSWCEHVDJKPKKK-UHFFFAOYSA-N 2 1 437.585 -0.194 20 0 IBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000556168613 1072826396 /nfs/dbraw/zinc/82/63/96/1072826396.db2.gz UPWJLDRJVUMDLQ-IBGZPJMESA-N 2 1 436.601 -0.715 20 0 IBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000556168613 1072826384 /nfs/dbraw/zinc/82/63/84/1072826384.db2.gz UPWJLDRJVUMDLQ-IBGZPJMESA-N 2 1 436.601 -0.715 20 0 IBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000556168613 1072826377 /nfs/dbraw/zinc/82/63/77/1072826377.db2.gz UPWJLDRJVUMDLQ-IBGZPJMESA-N 2 1 436.601 -0.715 20 0 IBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000556168614 1072826359 /nfs/dbraw/zinc/82/63/59/1072826359.db2.gz UPWJLDRJVUMDLQ-LJQANCHMSA-N 2 1 436.601 -0.715 20 0 IBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000556168614 1072826352 /nfs/dbraw/zinc/82/63/52/1072826352.db2.gz UPWJLDRJVUMDLQ-LJQANCHMSA-N 2 1 436.601 -0.715 20 0 IBADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000556168614 1072826345 /nfs/dbraw/zinc/82/63/45/1072826345.db2.gz UPWJLDRJVUMDLQ-LJQANCHMSA-N 2 1 436.601 -0.715 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000556188097 1072829082 /nfs/dbraw/zinc/82/90/82/1072829082.db2.gz ZZFDFOZRKWUDAJ-KDURUIRLSA-N 2 1 427.549 -0.097 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000556188097 1072829073 /nfs/dbraw/zinc/82/90/73/1072829073.db2.gz ZZFDFOZRKWUDAJ-KDURUIRLSA-N 2 1 427.549 -0.097 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000556348212 1072846539 /nfs/dbraw/zinc/84/65/39/1072846539.db2.gz LMTMGXJGFLHQBW-IBGZPJMESA-N 2 1 438.617 -0.611 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000556348214 1072846358 /nfs/dbraw/zinc/84/63/58/1072846358.db2.gz LMTMGXJGFLHQBW-LJQANCHMSA-N 2 1 438.617 -0.611 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000557026178 1072934811 /nfs/dbraw/zinc/93/48/11/1072934811.db2.gz WGVUBGDFWAOCTD-UHFFFAOYSA-N 2 1 433.553 -0.134 20 0 IBADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000557108553 1070934895 /nfs/dbraw/zinc/93/48/95/1070934895.db2.gz QQKSKOAATIZJPI-UHFFFAOYSA-N 2 1 431.585 -0.408 20 0 IBADMP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000557249575 1074689064 /nfs/dbraw/zinc/68/90/64/1074689064.db2.gz NMWCMNSPMAOXSI-KRWDZBQOSA-N 2 1 439.601 -0.186 20 0 IBADMP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000557249587 1074689047 /nfs/dbraw/zinc/68/90/47/1074689047.db2.gz NMWCMNSPMAOXSI-QGZVFWFLSA-N 2 1 439.601 -0.186 20 0 IBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255747 1074689785 /nfs/dbraw/zinc/68/97/85/1074689785.db2.gz ROPLJBGMGDYHNF-INIZCTEOSA-N 2 1 432.525 -0.558 20 0 IBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255749 1074689721 /nfs/dbraw/zinc/68/97/21/1074689721.db2.gz ROPLJBGMGDYHNF-MRXNPFEDSA-N 2 1 432.525 -0.558 20 0 IBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccn2)CC1 ZINC000557257438 1074689734 /nfs/dbraw/zinc/68/97/34/1074689734.db2.gz BWBQSSYKERLGMK-GOSISDBHSA-N 2 1 445.568 -0.847 20 0 IBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)ccn2)CC1 ZINC000557257450 1074689791 /nfs/dbraw/zinc/68/97/91/1074689791.db2.gz BWBQSSYKERLGMK-SFHVURJKSA-N 2 1 445.568 -0.847 20 0 IBADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557263523 1074690278 /nfs/dbraw/zinc/69/02/78/1074690278.db2.gz SQAIEMOTRBPFNV-GOSISDBHSA-N 2 1 445.568 -0.847 20 0 IBADMP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557263524 1074690425 /nfs/dbraw/zinc/69/04/25/1074690425.db2.gz SQAIEMOTRBPFNV-SFHVURJKSA-N 2 1 445.568 -0.847 20 0 IBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000557264498 1074690892 /nfs/dbraw/zinc/69/08/92/1074690892.db2.gz UFNXMYQKDDELQF-INIZCTEOSA-N 2 1 432.525 -0.558 20 0 IBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000557264499 1074690862 /nfs/dbraw/zinc/69/08/62/1074690862.db2.gz UFNXMYQKDDELQF-MRXNPFEDSA-N 2 1 432.525 -0.558 20 0 IBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412019 1074698610 /nfs/dbraw/zinc/69/86/10/1074698610.db2.gz NGNFRUYUICEOOV-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412019 1074698607 /nfs/dbraw/zinc/69/86/07/1074698607.db2.gz NGNFRUYUICEOOV-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412019 1074698603 /nfs/dbraw/zinc/69/86/03/1074698603.db2.gz NGNFRUYUICEOOV-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412019 1074698601 /nfs/dbraw/zinc/69/86/01/1074698601.db2.gz NGNFRUYUICEOOV-DLBZAZTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412026 1074698540 /nfs/dbraw/zinc/69/85/40/1074698540.db2.gz NGNFRUYUICEOOV-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412026 1074698535 /nfs/dbraw/zinc/69/85/35/1074698535.db2.gz NGNFRUYUICEOOV-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412026 1074698530 /nfs/dbraw/zinc/69/85/30/1074698530.db2.gz NGNFRUYUICEOOV-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000557412026 1074698526 /nfs/dbraw/zinc/69/85/26/1074698526.db2.gz NGNFRUYUICEOOV-IAGOWNOFSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000557412030 1074698494 /nfs/dbraw/zinc/69/84/94/1074698494.db2.gz NGNFRUYUICEOOV-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000557412030 1074698493 /nfs/dbraw/zinc/69/84/93/1074698493.db2.gz NGNFRUYUICEOOV-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000557412030 1074698491 /nfs/dbraw/zinc/69/84/91/1074698491.db2.gz NGNFRUYUICEOOV-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000557412030 1074698489 /nfs/dbraw/zinc/69/84/89/1074698489.db2.gz NGNFRUYUICEOOV-IRXDYDNUSA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000557412033 1074698573 /nfs/dbraw/zinc/69/85/73/1074698573.db2.gz NGNFRUYUICEOOV-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000557412033 1074698571 /nfs/dbraw/zinc/69/85/71/1074698571.db2.gz NGNFRUYUICEOOV-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000557412033 1074698569 /nfs/dbraw/zinc/69/85/69/1074698569.db2.gz NGNFRUYUICEOOV-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000557412033 1074698564 /nfs/dbraw/zinc/69/85/64/1074698564.db2.gz NGNFRUYUICEOOV-SJORKVTESA-N 2 1 425.574 -0.651 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000557413419 1074699563 /nfs/dbraw/zinc/69/95/63/1074699563.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000557413419 1074699559 /nfs/dbraw/zinc/69/95/59/1074699559.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557413419 1074699555 /nfs/dbraw/zinc/69/95/55/1074699555.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557413419 1074699551 /nfs/dbraw/zinc/69/95/51/1074699551.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000557413419 1074699548 /nfs/dbraw/zinc/69/95/48/1074699548.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000557413430 1074699149 /nfs/dbraw/zinc/69/91/49/1074699149.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000557413430 1074699146 /nfs/dbraw/zinc/69/91/46/1074699146.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557413430 1074699140 /nfs/dbraw/zinc/69/91/40/1074699140.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000557413430 1074699135 /nfs/dbraw/zinc/69/91/35/1074699135.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000557413430 1074699130 /nfs/dbraw/zinc/69/91/30/1074699130.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 2 1 438.617 -0.470 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557414148 1074698624 /nfs/dbraw/zinc/69/86/24/1074698624.db2.gz FEMDZPDFSSSFGA-GOSISDBHSA-N 2 1 437.585 -0.194 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557414152 1074698449 /nfs/dbraw/zinc/69/84/49/1074698449.db2.gz FEMDZPDFSSSFGA-SFHVURJKSA-N 2 1 437.585 -0.194 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415198 1074699293 /nfs/dbraw/zinc/69/92/93/1074699293.db2.gz SEAPFLHLMQMZJN-MSOLQXFVSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415198 1074699288 /nfs/dbraw/zinc/69/92/88/1074699288.db2.gz SEAPFLHLMQMZJN-MSOLQXFVSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415198 1074699285 /nfs/dbraw/zinc/69/92/85/1074699285.db2.gz SEAPFLHLMQMZJN-MSOLQXFVSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000557415199 1074699507 /nfs/dbraw/zinc/69/95/07/1074699507.db2.gz SEAPFLHLMQMZJN-QZTJIDSGSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000557415199 1074699503 /nfs/dbraw/zinc/69/95/03/1074699503.db2.gz SEAPFLHLMQMZJN-QZTJIDSGSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000557415199 1074699498 /nfs/dbraw/zinc/69/94/98/1074699498.db2.gz SEAPFLHLMQMZJN-QZTJIDSGSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415200 1074699358 /nfs/dbraw/zinc/69/93/58/1074699358.db2.gz SEAPFLHLMQMZJN-ROUUACIJSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415200 1074699353 /nfs/dbraw/zinc/69/93/53/1074699353.db2.gz SEAPFLHLMQMZJN-ROUUACIJSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000557415200 1074699343 /nfs/dbraw/zinc/69/93/43/1074699343.db2.gz SEAPFLHLMQMZJN-ROUUACIJSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000557415201 1074699420 /nfs/dbraw/zinc/69/94/20/1074699420.db2.gz SEAPFLHLMQMZJN-ZWKOTPCHSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000557415201 1074699409 /nfs/dbraw/zinc/69/94/09/1074699409.db2.gz SEAPFLHLMQMZJN-ZWKOTPCHSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000557415201 1074699400 /nfs/dbraw/zinc/69/94/00/1074699400.db2.gz SEAPFLHLMQMZJN-ZWKOTPCHSA-N 2 1 425.574 -0.338 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000557415474 1074700347 /nfs/dbraw/zinc/70/03/47/1074700347.db2.gz RCPUEVFEIQXKKD-GOSISDBHSA-N 2 1 425.574 -0.386 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000557415475 1074700446 /nfs/dbraw/zinc/70/04/46/1074700446.db2.gz RCPUEVFEIQXKKD-SFHVURJKSA-N 2 1 425.574 -0.386 20 0 IBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000557415659 1074699999 /nfs/dbraw/zinc/69/99/99/1074699999.db2.gz YBTGSPICZCGINB-GOSISDBHSA-N 2 1 446.552 -0.202 20 0 IBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000557415660 1074699926 /nfs/dbraw/zinc/69/99/26/1074699926.db2.gz YBTGSPICZCGINB-SFHVURJKSA-N 2 1 446.552 -0.202 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000557692025 1074707211 /nfs/dbraw/zinc/70/72/11/1074707211.db2.gz HVFAJZOCQVXMAF-GOSISDBHSA-N 2 1 435.569 -0.487 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000557692028 1074707257 /nfs/dbraw/zinc/70/72/57/1074707257.db2.gz HVFAJZOCQVXMAF-SFHVURJKSA-N 2 1 435.569 -0.487 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000558218190 1074724612 /nfs/dbraw/zinc/72/46/12/1074724612.db2.gz SBQGRSAXEAOLEB-IBGZPJMESA-N 2 1 438.617 -0.565 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000558218194 1074724985 /nfs/dbraw/zinc/72/49/85/1074724985.db2.gz SBQGRSAXEAOLEB-LJQANCHMSA-N 2 1 438.617 -0.565 20 0 IBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000559327352 1072180827 /nfs/dbraw/zinc/18/08/27/1072180827.db2.gz PVJDYLSXEQXHFW-UHFFFAOYSA-N 2 1 437.585 -0.334 20 0 IBADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559604292 1072200218 /nfs/dbraw/zinc/20/02/18/1072200218.db2.gz JKNIZYBNYAGZPR-UHFFFAOYSA-N 2 1 433.557 -0.668 20 0 IBADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559608832 1072202082 /nfs/dbraw/zinc/20/20/82/1072202082.db2.gz VWGRVGDRVLJMIU-UHFFFAOYSA-N 2 1 447.584 -0.326 20 0 IBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559608951 1072202044 /nfs/dbraw/zinc/20/20/44/1072202044.db2.gz XFVDBWHXBXEWRJ-UHFFFAOYSA-N 2 1 447.584 -0.590 20 0 IBADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559608951 1072202036 /nfs/dbraw/zinc/20/20/36/1072202036.db2.gz XFVDBWHXBXEWRJ-UHFFFAOYSA-N 2 1 447.584 -0.590 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000559663443 1072204838 /nfs/dbraw/zinc/20/48/38/1072204838.db2.gz ZOXXJDCANYMEJQ-UHFFFAOYSA-N 2 1 433.553 -0.134 20 0 IBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000559663456 1072204733 /nfs/dbraw/zinc/20/47/33/1072204733.db2.gz ZRSVJJZDCFLIGB-IBGZPJMESA-N 2 1 431.537 -0.473 20 0 IBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000559663459 1072204693 /nfs/dbraw/zinc/20/46/93/1072204693.db2.gz ZRSVJJZDCFLIGB-LJQANCHMSA-N 2 1 431.537 -0.473 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)cn2)CC1 ZINC000559734482 1072210531 /nfs/dbraw/zinc/21/05/31/1072210531.db2.gz RBSSHEVUFZEMRR-GOSISDBHSA-N 2 1 432.569 -0.076 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)cn2)CC1 ZINC000559734486 1072210464 /nfs/dbraw/zinc/21/04/64/1072210464.db2.gz RBSSHEVUFZEMRR-SFHVURJKSA-N 2 1 432.569 -0.076 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000559751084 1072211225 /nfs/dbraw/zinc/21/12/25/1072211225.db2.gz LDPLJHOLYRODLT-UHFFFAOYSA-N 2 1 445.568 -0.880 20 0 IBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000559762728 1072212488 /nfs/dbraw/zinc/21/24/88/1072212488.db2.gz NZRFRYTZVJSGLP-FQEVSTJZSA-N 2 1 427.549 -0.074 20 0 IBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000559762728 1072212480 /nfs/dbraw/zinc/21/24/80/1072212480.db2.gz NZRFRYTZVJSGLP-FQEVSTJZSA-N 2 1 427.549 -0.074 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000559762728 1072212478 /nfs/dbraw/zinc/21/24/78/1072212478.db2.gz NZRFRYTZVJSGLP-FQEVSTJZSA-N 2 1 427.549 -0.074 20 0 IBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000559762728 1072212473 /nfs/dbraw/zinc/21/24/73/1072212473.db2.gz NZRFRYTZVJSGLP-FQEVSTJZSA-N 2 1 427.549 -0.074 20 0 IBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000559762731 1072212531 /nfs/dbraw/zinc/21/25/31/1072212531.db2.gz NZRFRYTZVJSGLP-HXUWFJFHSA-N 2 1 427.549 -0.074 20 0 IBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000559762731 1072212527 /nfs/dbraw/zinc/21/25/27/1072212527.db2.gz NZRFRYTZVJSGLP-HXUWFJFHSA-N 2 1 427.549 -0.074 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000559762731 1072212519 /nfs/dbraw/zinc/21/25/19/1072212519.db2.gz NZRFRYTZVJSGLP-HXUWFJFHSA-N 2 1 427.549 -0.074 20 0 IBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000559762731 1072212512 /nfs/dbraw/zinc/21/25/12/1072212512.db2.gz NZRFRYTZVJSGLP-HXUWFJFHSA-N 2 1 427.549 -0.074 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000559769869 1072213746 /nfs/dbraw/zinc/21/37/46/1072213746.db2.gz AOALNQQWUBJCGP-UHFFFAOYSA-N 2 1 445.564 -0.460 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559772291 1072214292 /nfs/dbraw/zinc/21/42/92/1072214292.db2.gz HIBFBCQXFJVRSU-FQEVSTJZSA-N 2 1 445.564 -0.326 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559772291 1072214286 /nfs/dbraw/zinc/21/42/86/1072214286.db2.gz HIBFBCQXFJVRSU-FQEVSTJZSA-N 2 1 445.564 -0.326 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559772292 1072214472 /nfs/dbraw/zinc/21/44/72/1072214472.db2.gz HIBFBCQXFJVRSU-HXUWFJFHSA-N 2 1 445.564 -0.326 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559772292 1072214464 /nfs/dbraw/zinc/21/44/64/1072214464.db2.gz HIBFBCQXFJVRSU-HXUWFJFHSA-N 2 1 445.564 -0.326 20 0 IBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000559772397 1072213729 /nfs/dbraw/zinc/21/37/29/1072213729.db2.gz OZJPESBYYDJZLX-UHFFFAOYSA-N 2 1 436.601 -0.716 20 0 IBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000559772405 1072213781 /nfs/dbraw/zinc/21/37/81/1072213781.db2.gz PGWNVONGIZIVED-HDICACEKSA-N 2 1 437.585 -0.386 20 0 IBADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000559772405 1072213776 /nfs/dbraw/zinc/21/37/76/1072213776.db2.gz PGWNVONGIZIVED-HDICACEKSA-N 2 1 437.585 -0.386 20 0 IBADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000559772406 1072213567 /nfs/dbraw/zinc/21/35/67/1072213567.db2.gz PGWNVONGIZIVED-QZTJIDSGSA-N 2 1 437.585 -0.386 20 0 IBADMP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000559772407 1072213687 /nfs/dbraw/zinc/21/36/87/1072213687.db2.gz PGWNVONGIZIVED-ROUUACIJSA-N 2 1 437.585 -0.386 20 0 IBADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC1)C2 ZINC000559834717 1072218600 /nfs/dbraw/zinc/21/86/00/1072218600.db2.gz XNWJQDXNYZGGRD-WCRBZPEASA-N 2 1 434.629 -0.100 20 0 IBADMP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC1)C2 ZINC000559834717 1072218598 /nfs/dbraw/zinc/21/85/98/1072218598.db2.gz XNWJQDXNYZGGRD-WCRBZPEASA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000559834717 1072218594 /nfs/dbraw/zinc/21/85/94/1072218594.db2.gz XNWJQDXNYZGGRD-WCRBZPEASA-N 2 1 434.629 -0.100 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000559848550 1072219514 /nfs/dbraw/zinc/21/95/14/1072219514.db2.gz JBSDBXZSFYJPKY-UHFFFAOYSA-N 2 1 437.585 -0.336 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000559849174 1072220271 /nfs/dbraw/zinc/22/02/71/1072220271.db2.gz HONMZGCJTNWKCI-UHFFFAOYSA-N 2 1 425.574 -0.338 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000559849397 1072220324 /nfs/dbraw/zinc/22/03/24/1072220324.db2.gz OWKTYIHKUFCSIY-KRWDZBQOSA-N 2 1 425.574 -0.290 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000559849397 1072220319 /nfs/dbraw/zinc/22/03/19/1072220319.db2.gz OWKTYIHKUFCSIY-KRWDZBQOSA-N 2 1 425.574 -0.290 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000559849399 1072220183 /nfs/dbraw/zinc/22/01/83/1072220183.db2.gz OWKTYIHKUFCSIY-QGZVFWFLSA-N 2 1 425.574 -0.290 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000559849399 1072220177 /nfs/dbraw/zinc/22/01/77/1072220177.db2.gz OWKTYIHKUFCSIY-QGZVFWFLSA-N 2 1 425.574 -0.290 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000559849453 1072220411 /nfs/dbraw/zinc/22/04/11/1072220411.db2.gz QCMYXKFEMIXVLX-CALCHBBNSA-N 2 1 437.585 -0.339 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000559849453 1072220408 /nfs/dbraw/zinc/22/04/08/1072220408.db2.gz QCMYXKFEMIXVLX-CALCHBBNSA-N 2 1 437.585 -0.339 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000559849456 1072220242 /nfs/dbraw/zinc/22/02/42/1072220242.db2.gz QCMYXKFEMIXVLX-IAGOWNOFSA-N 2 1 437.585 -0.339 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000559849458 1072220398 /nfs/dbraw/zinc/22/03/98/1072220398.db2.gz QCMYXKFEMIXVLX-IRXDYDNUSA-N 2 1 437.585 -0.339 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000559850107 1072220877 /nfs/dbraw/zinc/22/08/77/1072220877.db2.gz XJRUTKCPFIGKQX-UHFFFAOYSA-N 2 1 437.585 -0.147 20 0 IBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000559850341 1072221016 /nfs/dbraw/zinc/22/10/16/1072221016.db2.gz VDBGCZPSYFFJMU-UHFFFAOYSA-N 2 1 446.552 -0.154 20 0 IBADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000559864644 1072223291 /nfs/dbraw/zinc/22/32/91/1072223291.db2.gz PJSPHKVETSAMOH-FQEVSTJZSA-N 2 1 425.599 -0.448 20 0 IBADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000559864645 1072223277 /nfs/dbraw/zinc/22/32/77/1072223277.db2.gz PJSPHKVETSAMOH-HXUWFJFHSA-N 2 1 425.599 -0.448 20 0 IBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559925085 1072225909 /nfs/dbraw/zinc/22/59/09/1072225909.db2.gz JJIGPOHTJXDFDN-UHFFFAOYSA-N 2 1 425.574 -0.526 20 0 IBADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559925085 1072225896 /nfs/dbraw/zinc/22/58/96/1072225896.db2.gz JJIGPOHTJXDFDN-UHFFFAOYSA-N 2 1 425.574 -0.526 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036113 1072231469 /nfs/dbraw/zinc/23/14/69/1072231469.db2.gz VYKGZZMIHQIWHA-MOPGFXCFSA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036113 1072231461 /nfs/dbraw/zinc/23/14/61/1072231461.db2.gz VYKGZZMIHQIWHA-MOPGFXCFSA-N 2 1 436.601 -0.859 20 0 IBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036113 1072231450 /nfs/dbraw/zinc/23/14/50/1072231450.db2.gz VYKGZZMIHQIWHA-MOPGFXCFSA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036116 1071091567 /nfs/dbraw/zinc/09/15/67/1071091567.db2.gz VYKGZZMIHQIWHA-OALUTQOASA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036116 1071091558 /nfs/dbraw/zinc/09/15/58/1071091558.db2.gz VYKGZZMIHQIWHA-OALUTQOASA-N 2 1 436.601 -0.859 20 0 IBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036116 1071091546 /nfs/dbraw/zinc/09/15/46/1071091546.db2.gz VYKGZZMIHQIWHA-OALUTQOASA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036127 1072231622 /nfs/dbraw/zinc/23/16/22/1072231622.db2.gz VYKGZZMIHQIWHA-RBUKOAKNSA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036127 1072231617 /nfs/dbraw/zinc/23/16/17/1072231617.db2.gz VYKGZZMIHQIWHA-RBUKOAKNSA-N 2 1 436.601 -0.859 20 0 IBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036127 1072231612 /nfs/dbraw/zinc/23/16/12/1072231612.db2.gz VYKGZZMIHQIWHA-RBUKOAKNSA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036130 1072231656 /nfs/dbraw/zinc/23/16/56/1072231656.db2.gz VYKGZZMIHQIWHA-RTBURBONSA-N 2 1 436.601 -0.859 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036130 1072231652 /nfs/dbraw/zinc/23/16/52/1072231652.db2.gz VYKGZZMIHQIWHA-RTBURBONSA-N 2 1 436.601 -0.859 20 0 IBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000560036130 1072231650 /nfs/dbraw/zinc/23/16/50/1072231650.db2.gz VYKGZZMIHQIWHA-RTBURBONSA-N 2 1 436.601 -0.859 20 0 IBADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C)C1 ZINC000560147399 1072233110 /nfs/dbraw/zinc/23/31/10/1072233110.db2.gz DGSFYXAUEFPZQZ-BQFCYCMXSA-N 2 1 433.557 -0.312 20 0 IBADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C)C1 ZINC000560147401 1072233088 /nfs/dbraw/zinc/23/30/88/1072233088.db2.gz DGSFYXAUEFPZQZ-JZXOWHBKSA-N 2 1 433.557 -0.312 20 0 IBADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C)C1 ZINC000560147403 1072233044 /nfs/dbraw/zinc/23/30/44/1072233044.db2.gz DGSFYXAUEFPZQZ-LZLYRXPVSA-N 2 1 433.557 -0.312 20 0 IBADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C)C1 ZINC000560147405 1072233156 /nfs/dbraw/zinc/23/31/56/1072233156.db2.gz DGSFYXAUEFPZQZ-XYJFISCASA-N 2 1 433.557 -0.312 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000560671022 1072244341 /nfs/dbraw/zinc/24/43/41/1072244341.db2.gz CQVLEECQZKQXPV-UHFFFAOYSA-N 2 1 433.553 -0.088 20 0 IBADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)CC2)CC1 ZINC000560874039 1072249915 /nfs/dbraw/zinc/24/99/15/1072249915.db2.gz GZFXGDBHFYKQJI-FQEVSTJZSA-N 2 1 448.612 -0.574 20 0 IBADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)CC2)CC1 ZINC000560874040 1072249948 /nfs/dbraw/zinc/24/99/48/1072249948.db2.gz GZFXGDBHFYKQJI-HXUWFJFHSA-N 2 1 448.612 -0.574 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000560890314 1072251495 /nfs/dbraw/zinc/25/14/95/1072251495.db2.gz CQRPSFORQSREPI-BHIYHBOVSA-N 2 1 437.585 -0.426 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000560890319 1072251696 /nfs/dbraw/zinc/25/16/96/1072251696.db2.gz CQRPSFORQSREPI-NEWSRXKRSA-N 2 1 437.585 -0.426 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000560890324 1072251653 /nfs/dbraw/zinc/25/16/53/1072251653.db2.gz CQRPSFORQSREPI-NZSAHSFTSA-N 2 1 437.585 -0.426 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000560890329 1072251628 /nfs/dbraw/zinc/25/16/28/1072251628.db2.gz CQRPSFORQSREPI-QRQLOZEOSA-N 2 1 437.585 -0.426 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000560894291 1072252362 /nfs/dbraw/zinc/25/23/62/1072252362.db2.gz STGHDFAWSNUCLF-FQEVSTJZSA-N 2 1 445.564 -0.161 20 0 IBADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000560894291 1072252356 /nfs/dbraw/zinc/25/23/56/1072252356.db2.gz STGHDFAWSNUCLF-FQEVSTJZSA-N 2 1 445.564 -0.161 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000560894300 1072252203 /nfs/dbraw/zinc/25/22/03/1072252203.db2.gz STGHDFAWSNUCLF-HXUWFJFHSA-N 2 1 445.564 -0.161 20 0 IBADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000560894300 1072252193 /nfs/dbraw/zinc/25/21/93/1072252193.db2.gz STGHDFAWSNUCLF-HXUWFJFHSA-N 2 1 445.564 -0.161 20 0 IBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000560894947 1072252162 /nfs/dbraw/zinc/25/21/62/1072252162.db2.gz WGUWQQNYDOPUIV-MOPGFXCFSA-N 2 1 436.601 -0.683 20 0 IBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000560894952 1072252294 /nfs/dbraw/zinc/25/22/94/1072252294.db2.gz WGUWQQNYDOPUIV-OALUTQOASA-N 2 1 436.601 -0.683 20 0 IBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000560894954 1072252388 /nfs/dbraw/zinc/25/23/88/1072252388.db2.gz WGUWQQNYDOPUIV-RBUKOAKNSA-N 2 1 436.601 -0.683 20 0 IBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000560894956 1072252102 /nfs/dbraw/zinc/25/21/02/1072252102.db2.gz WGUWQQNYDOPUIV-RTBURBONSA-N 2 1 436.601 -0.683 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000561045640 1072263044 /nfs/dbraw/zinc/26/30/44/1072263044.db2.gz LVCNKIYPJZTELM-GOSISDBHSA-N 2 1 425.574 -0.650 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000561045640 1072263034 /nfs/dbraw/zinc/26/30/34/1072263034.db2.gz LVCNKIYPJZTELM-GOSISDBHSA-N 2 1 425.574 -0.650 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000561045640 1072263029 /nfs/dbraw/zinc/26/30/29/1072263029.db2.gz LVCNKIYPJZTELM-GOSISDBHSA-N 2 1 425.574 -0.650 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000561045644 1072262673 /nfs/dbraw/zinc/26/26/73/1072262673.db2.gz LVCNKIYPJZTELM-SFHVURJKSA-N 2 1 425.574 -0.650 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000561045644 1072262668 /nfs/dbraw/zinc/26/26/68/1072262668.db2.gz LVCNKIYPJZTELM-SFHVURJKSA-N 2 1 425.574 -0.650 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000561045644 1072262657 /nfs/dbraw/zinc/26/26/57/1072262657.db2.gz LVCNKIYPJZTELM-SFHVURJKSA-N 2 1 425.574 -0.650 20 0 IBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079367 1072264487 /nfs/dbraw/zinc/26/44/87/1072264487.db2.gz IVIRADYRSOGNLT-MOPGFXCFSA-N 2 1 436.601 -0.860 20 0 IBADMP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079372 1072264654 /nfs/dbraw/zinc/26/46/54/1072264654.db2.gz IVIRADYRSOGNLT-OALUTQOASA-N 2 1 436.601 -0.860 20 0 IBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079374 1072264522 /nfs/dbraw/zinc/26/45/22/1072264522.db2.gz IVIRADYRSOGNLT-RBUKOAKNSA-N 2 1 436.601 -0.860 20 0 IBADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079375 1072264613 /nfs/dbraw/zinc/26/46/13/1072264613.db2.gz IVIRADYRSOGNLT-RTBURBONSA-N 2 1 436.601 -0.860 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275238 1072272147 /nfs/dbraw/zinc/27/21/47/1072272147.db2.gz SNOHNHJFOCVXPZ-PMACEKPBSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275238 1072272143 /nfs/dbraw/zinc/27/21/43/1072272143.db2.gz SNOHNHJFOCVXPZ-PMACEKPBSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275238 1072272139 /nfs/dbraw/zinc/27/21/39/1072272139.db2.gz SNOHNHJFOCVXPZ-PMACEKPBSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275239 1072272056 /nfs/dbraw/zinc/27/20/56/1072272056.db2.gz SNOHNHJFOCVXPZ-UXHICEINSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275239 1072272048 /nfs/dbraw/zinc/27/20/48/1072272048.db2.gz SNOHNHJFOCVXPZ-UXHICEINSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275239 1072272039 /nfs/dbraw/zinc/27/20/39/1072272039.db2.gz SNOHNHJFOCVXPZ-UXHICEINSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275240 1072272107 /nfs/dbraw/zinc/27/21/07/1072272107.db2.gz SNOHNHJFOCVXPZ-VQTJNVASSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275240 1072272100 /nfs/dbraw/zinc/27/21/00/1072272100.db2.gz SNOHNHJFOCVXPZ-VQTJNVASSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275240 1072272096 /nfs/dbraw/zinc/27/20/96/1072272096.db2.gz SNOHNHJFOCVXPZ-VQTJNVASSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275241 1072271985 /nfs/dbraw/zinc/27/19/85/1072271985.db2.gz SNOHNHJFOCVXPZ-WOJBJXKFSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275241 1072271978 /nfs/dbraw/zinc/27/19/78/1072271978.db2.gz SNOHNHJFOCVXPZ-WOJBJXKFSA-N 2 1 445.564 -0.163 20 0 IBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275241 1072271967 /nfs/dbraw/zinc/27/19/67/1072271967.db2.gz SNOHNHJFOCVXPZ-WOJBJXKFSA-N 2 1 445.564 -0.163 20 0 IBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)CC1 ZINC000561357251 1072274620 /nfs/dbraw/zinc/27/46/20/1072274620.db2.gz XJLDBNXUAQUHAL-UHFFFAOYSA-N 2 1 449.596 -0.240 20 0 IBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000561452039 1072279026 /nfs/dbraw/zinc/27/90/26/1072279026.db2.gz AZWWJROJCJIRKO-GOSISDBHSA-N 2 1 439.601 -0.234 20 0 IBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000561452042 1072279084 /nfs/dbraw/zinc/27/90/84/1072279084.db2.gz AZWWJROJCJIRKO-SFHVURJKSA-N 2 1 439.601 -0.234 20 0 IBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000561597770 1072285639 /nfs/dbraw/zinc/28/56/39/1072285639.db2.gz XOAXCRQSILOHNI-GOSISDBHSA-N 2 1 437.585 -0.243 20 0 IBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000561597778 1072285766 /nfs/dbraw/zinc/28/57/66/1072285766.db2.gz XOAXCRQSILOHNI-SFHVURJKSA-N 2 1 437.585 -0.243 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000561678066 1072288584 /nfs/dbraw/zinc/28/85/84/1072288584.db2.gz IIXAXZWSUPQIRW-GOSISDBHSA-N 2 1 425.574 -0.384 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000561678069 1072288424 /nfs/dbraw/zinc/28/84/24/1072288424.db2.gz IIXAXZWSUPQIRW-SFHVURJKSA-N 2 1 425.574 -0.384 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000561740041 1072291545 /nfs/dbraw/zinc/29/15/45/1072291545.db2.gz PUIJZBKYTNQJQN-IBGZPJMESA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000561740041 1072291538 /nfs/dbraw/zinc/29/15/38/1072291538.db2.gz PUIJZBKYTNQJQN-IBGZPJMESA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000561740042 1072291521 /nfs/dbraw/zinc/29/15/21/1072291521.db2.gz PUIJZBKYTNQJQN-LJQANCHMSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000561740042 1072291514 /nfs/dbraw/zinc/29/15/14/1072291514.db2.gz PUIJZBKYTNQJQN-LJQANCHMSA-N 2 1 436.601 -0.716 20 0 IBADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000561740561 1072291480 /nfs/dbraw/zinc/29/14/80/1072291480.db2.gz MTLZHSOWPWCHOH-KRWDZBQOSA-N 2 1 437.585 -0.243 20 0 IBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)c1 ZINC000561741701 1072291432 /nfs/dbraw/zinc/29/14/32/1072291432.db2.gz YIQQMBMATDFZOI-UHFFFAOYSA-N 2 1 432.525 -0.592 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000561758157 1072292713 /nfs/dbraw/zinc/29/27/13/1072292713.db2.gz LOSOXNOAPFVHLL-UHFFFAOYSA-N 2 1 434.541 -0.693 20 0 IBADMP Cn1c2ncn(CC[NH+]3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)c2c(=O)n(C)c1=O ZINC000562051207 1072305385 /nfs/dbraw/zinc/30/53/85/1072305385.db2.gz FLGYYLKWZWSUHI-UHFFFAOYSA-N 2 1 431.541 -0.690 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562161639 1072310935 /nfs/dbraw/zinc/31/09/35/1072310935.db2.gz XMKCYUMHQCUJMP-CTNGQTDRSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161639 1072310933 /nfs/dbraw/zinc/31/09/33/1072310933.db2.gz XMKCYUMHQCUJMP-CTNGQTDRSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562161639 1072310928 /nfs/dbraw/zinc/31/09/28/1072310928.db2.gz XMKCYUMHQCUJMP-CTNGQTDRSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562161640 1072310848 /nfs/dbraw/zinc/31/08/48/1072310848.db2.gz XMKCYUMHQCUJMP-FPOVZHCZSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161640 1072310841 /nfs/dbraw/zinc/31/08/41/1072310841.db2.gz XMKCYUMHQCUJMP-FPOVZHCZSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562161640 1072310835 /nfs/dbraw/zinc/31/08/35/1072310835.db2.gz XMKCYUMHQCUJMP-FPOVZHCZSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562161641 1072311059 /nfs/dbraw/zinc/31/10/59/1072311059.db2.gz XMKCYUMHQCUJMP-PZJWPPBQSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161641 1072311053 /nfs/dbraw/zinc/31/10/53/1072311053.db2.gz XMKCYUMHQCUJMP-PZJWPPBQSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562161641 1072311049 /nfs/dbraw/zinc/31/10/49/1072311049.db2.gz XMKCYUMHQCUJMP-PZJWPPBQSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562161642 1071205419 /nfs/dbraw/zinc/20/54/19/1071205419.db2.gz XMKCYUMHQCUJMP-TZIWHRDSSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161642 1071205411 /nfs/dbraw/zinc/20/54/11/1071205411.db2.gz XMKCYUMHQCUJMP-TZIWHRDSSA-N 2 1 435.613 -0.032 20 0 IBADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562161642 1071205399 /nfs/dbraw/zinc/20/53/99/1071205399.db2.gz XMKCYUMHQCUJMP-TZIWHRDSSA-N 2 1 435.613 -0.032 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000562860522 1072322926 /nfs/dbraw/zinc/32/29/26/1072322926.db2.gz CSGPHXPIJNVCGN-KRWDZBQOSA-N 2 1 430.553 -0.134 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000562860523 1072322839 /nfs/dbraw/zinc/32/28/39/1072322839.db2.gz CSGPHXPIJNVCGN-QGZVFWFLSA-N 2 1 430.553 -0.134 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000562866382 1071224550 /nfs/dbraw/zinc/22/45/50/1071224550.db2.gz NOXMURRTPNRXCM-IBGZPJMESA-N 2 1 437.585 -0.384 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000562866386 1072323470 /nfs/dbraw/zinc/32/34/70/1072323470.db2.gz NOXMURRTPNRXCM-LJQANCHMSA-N 2 1 437.585 -0.384 20 0 IBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000562874266 1072324195 /nfs/dbraw/zinc/32/41/95/1072324195.db2.gz QQQLZDQNMDSWQH-GOSISDBHSA-N 2 1 425.574 -0.386 20 0 IBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000562874281 1072324151 /nfs/dbraw/zinc/32/41/51/1072324151.db2.gz QQQLZDQNMDSWQH-SFHVURJKSA-N 2 1 425.574 -0.386 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000562937627 1072325160 /nfs/dbraw/zinc/32/51/60/1072325160.db2.gz UDFRPAQNYAVENA-AABGKKOBSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000562937627 1072325148 /nfs/dbraw/zinc/32/51/48/1072325148.db2.gz UDFRPAQNYAVENA-AABGKKOBSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000562937627 1072325139 /nfs/dbraw/zinc/32/51/39/1072325139.db2.gz UDFRPAQNYAVENA-AABGKKOBSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000562937628 1072325259 /nfs/dbraw/zinc/32/52/59/1072325259.db2.gz UDFRPAQNYAVENA-AQNXPRMDSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000562937628 1072325249 /nfs/dbraw/zinc/32/52/49/1072325249.db2.gz UDFRPAQNYAVENA-AQNXPRMDSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000562937628 1072325244 /nfs/dbraw/zinc/32/52/44/1072325244.db2.gz UDFRPAQNYAVENA-AQNXPRMDSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000562937629 1072325398 /nfs/dbraw/zinc/32/53/98/1072325398.db2.gz UDFRPAQNYAVENA-HSALFYBXSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000562937629 1072325387 /nfs/dbraw/zinc/32/53/87/1072325387.db2.gz UDFRPAQNYAVENA-HSALFYBXSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000562937629 1072325379 /nfs/dbraw/zinc/32/53/79/1072325379.db2.gz UDFRPAQNYAVENA-HSALFYBXSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000562937630 1072325019 /nfs/dbraw/zinc/32/50/19/1072325019.db2.gz UDFRPAQNYAVENA-VAMGGRTRSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000562937630 1072325005 /nfs/dbraw/zinc/32/50/05/1072325005.db2.gz UDFRPAQNYAVENA-VAMGGRTRSA-N 2 1 434.629 -0.197 20 0 IBADMP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000562937630 1072324996 /nfs/dbraw/zinc/32/49/96/1072324996.db2.gz UDFRPAQNYAVENA-VAMGGRTRSA-N 2 1 434.629 -0.197 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000563308345 1071538179 /nfs/dbraw/zinc/53/81/79/1071538179.db2.gz YIRYHHGNBSLETI-UHFFFAOYSA-N 2 1 433.553 -0.088 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000563540948 1072330655 /nfs/dbraw/zinc/33/06/55/1072330655.db2.gz JPAJUKYUTGUMNH-YOFSQIOKSA-N 2 1 448.612 -0.575 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000563540948 1072330646 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432.569 -0.077 20 0 IBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000570870652 1072453248 /nfs/dbraw/zinc/45/32/48/1072453248.db2.gz KQWSRSRTUYQAKX-LJQANCHMSA-N 2 1 432.569 -0.077 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000571117697 1072456240 /nfs/dbraw/zinc/45/62/40/1072456240.db2.gz CBHCGTGNYKSDPE-UHFFFAOYSA-N 2 1 425.574 -0.526 20 0 IBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000572008844 1072180014 /nfs/dbraw/zinc/18/00/14/1072180014.db2.gz LBRGNUGHQUYLOL-KRWDZBQOSA-N 2 1 425.574 -0.338 20 0 IBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000572008845 1072180099 /nfs/dbraw/zinc/18/00/99/1072180099.db2.gz LBRGNUGHQUYLOL-QGZVFWFLSA-N 2 1 425.574 -0.338 20 0 IBADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000572991459 1072479573 /nfs/dbraw/zinc/47/95/73/1072479573.db2.gz FAALTVHRZNNEJK-UHFFFAOYSA-N 2 1 435.573 -0.628 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994962 1072480106 /nfs/dbraw/zinc/48/01/06/1072480106.db2.gz IMRNVOLNILRTEQ-BBWFWOEESA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994962 1072480097 /nfs/dbraw/zinc/48/00/97/1072480097.db2.gz IMRNVOLNILRTEQ-BBWFWOEESA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994962 1072480076 /nfs/dbraw/zinc/48/00/76/1072480076.db2.gz IMRNVOLNILRTEQ-BBWFWOEESA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994962 1072480072 /nfs/dbraw/zinc/48/00/72/1072480072.db2.gz IMRNVOLNILRTEQ-BBWFWOEESA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000572994963 1072479982 /nfs/dbraw/zinc/47/99/82/1072479982.db2.gz IMRNVOLNILRTEQ-BRWVUGGUSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000572994963 1072479975 /nfs/dbraw/zinc/47/99/75/1072479975.db2.gz IMRNVOLNILRTEQ-BRWVUGGUSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994964 1072480024 /nfs/dbraw/zinc/48/00/24/1072480024.db2.gz IMRNVOLNILRTEQ-IXDOHACOSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994964 1072480017 /nfs/dbraw/zinc/48/00/17/1072480017.db2.gz IMRNVOLNILRTEQ-IXDOHACOSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994964 1072480011 /nfs/dbraw/zinc/48/00/11/1072480011.db2.gz IMRNVOLNILRTEQ-IXDOHACOSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000572994964 1072480005 /nfs/dbraw/zinc/48/00/05/1072480005.db2.gz IMRNVOLNILRTEQ-IXDOHACOSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000572994965 1072480155 /nfs/dbraw/zinc/48/01/55/1072480155.db2.gz IMRNVOLNILRTEQ-ZACQAIPSSA-N 2 1 425.574 -0.306 20 0 IBADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000572994965 1072480146 /nfs/dbraw/zinc/48/01/46/1072480146.db2.gz IMRNVOLNILRTEQ-ZACQAIPSSA-N 2 1 425.574 -0.306 20 0 IBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000573028252 1072481583 /nfs/dbraw/zinc/48/15/83/1072481583.db2.gz KTRZPFYCOBBUON-UHFFFAOYSA-N 2 1 427.549 -0.073 20 0 IBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000573028252 1072481579 /nfs/dbraw/zinc/48/15/79/1072481579.db2.gz KTRZPFYCOBBUON-UHFFFAOYSA-N 2 1 427.549 -0.073 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000573273944 1072230690 /nfs/dbraw/zinc/23/06/90/1072230690.db2.gz GKSFSGOSMXXSHP-UHFFFAOYSA-N 2 1 433.553 -0.491 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000573464807 1072486248 /nfs/dbraw/zinc/48/62/48/1072486248.db2.gz WECLMDFHLFHHCC-UHFFFAOYSA-N 2 1 445.564 -0.460 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000574601047 1072500503 /nfs/dbraw/zinc/50/05/03/1072500503.db2.gz XCBTXIKXIPJZLG-GUDVDZBRSA-N 2 1 435.569 -0.755 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000574601048 1072500514 /nfs/dbraw/zinc/50/05/14/1072500514.db2.gz XCBTXIKXIPJZLG-IPMKNSEASA-N 2 1 435.569 -0.755 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574601049 1072500482 /nfs/dbraw/zinc/50/04/82/1072500482.db2.gz XCBTXIKXIPJZLG-OTWHNJEPSA-N 2 1 435.569 -0.755 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574601050 1072500367 /nfs/dbraw/zinc/50/03/67/1072500367.db2.gz XCBTXIKXIPJZLG-QRVBRYPASA-N 2 1 435.569 -0.755 20 0 IBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000574708111 1072501850 /nfs/dbraw/zinc/50/18/50/1072501850.db2.gz VCJMJZSEEAMWFZ-IBGZPJMESA-N 2 1 432.569 -0.077 20 0 IBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000574708113 1072502031 /nfs/dbraw/zinc/50/20/31/1072502031.db2.gz VCJMJZSEEAMWFZ-LJQANCHMSA-N 2 1 432.569 -0.077 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000574711714 1072263887 /nfs/dbraw/zinc/26/38/87/1072263887.db2.gz HCDRSWVRDVUEFX-IBGZPJMESA-N 2 1 437.585 -0.384 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000574711715 1072264061 /nfs/dbraw/zinc/26/40/61/1072264061.db2.gz HCDRSWVRDVUEFX-LJQANCHMSA-N 2 1 437.585 -0.384 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000574719793 1072263942 /nfs/dbraw/zinc/26/39/42/1072263942.db2.gz OEEAHHJDXPRCRQ-UHFFFAOYSA-N 2 1 434.541 -0.739 20 0 IBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000574827895 1072265938 /nfs/dbraw/zinc/26/59/38/1072265938.db2.gz CVAZXAZFTLSVMC-IBGZPJMESA-N 2 1 436.601 -0.857 20 0 IBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000574827896 1072265835 /nfs/dbraw/zinc/26/58/35/1072265835.db2.gz CVAZXAZFTLSVMC-LJQANCHMSA-N 2 1 436.601 -0.857 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)CC1 ZINC000576126947 1072516591 /nfs/dbraw/zinc/51/65/91/1072516591.db2.gz CWQNHSCUYKPHOB-UHFFFAOYSA-N 2 1 433.553 -0.088 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@@H+](CCOC)C3)c[nH]2)C1 ZINC000576931931 1072530981 /nfs/dbraw/zinc/53/09/81/1072530981.db2.gz BSRVSIAHPSQANK-CVEARBPZSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@H+](CCOC)C3)c[nH]2)C1 ZINC000576931931 1072530977 /nfs/dbraw/zinc/53/09/77/1072530977.db2.gz BSRVSIAHPSQANK-CVEARBPZSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000576931931 1072530972 /nfs/dbraw/zinc/53/09/72/1072530972.db2.gz BSRVSIAHPSQANK-CVEARBPZSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000576931931 1072530965 /nfs/dbraw/zinc/53/09/65/1072530965.db2.gz BSRVSIAHPSQANK-CVEARBPZSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@@H+](CCOC)C3)c[nH]2)C1 ZINC000576931940 1072530769 /nfs/dbraw/zinc/53/07/69/1072530769.db2.gz BSRVSIAHPSQANK-HOTGVXAUSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@H+](CCOC)C3)c[nH]2)C1 ZINC000576931940 1072530757 /nfs/dbraw/zinc/53/07/57/1072530757.db2.gz BSRVSIAHPSQANK-HOTGVXAUSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000576931940 1072530747 /nfs/dbraw/zinc/53/07/47/1072530747.db2.gz BSRVSIAHPSQANK-HOTGVXAUSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000576931940 1072530737 /nfs/dbraw/zinc/53/07/37/1072530737.db2.gz BSRVSIAHPSQANK-HOTGVXAUSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c[nH]2)C1 ZINC000576931941 1072530840 /nfs/dbraw/zinc/53/08/40/1072530840.db2.gz BSRVSIAHPSQANK-HZPDHXFCSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N[C@@H]3CC[N@H+](CCOC)C3)c[nH]2)C1 ZINC000576931941 1072530830 /nfs/dbraw/zinc/53/08/30/1072530830.db2.gz BSRVSIAHPSQANK-HZPDHXFCSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000576931941 1072530820 /nfs/dbraw/zinc/53/08/20/1072530820.db2.gz BSRVSIAHPSQANK-HZPDHXFCSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000576931941 1072530814 /nfs/dbraw/zinc/53/08/14/1072530814.db2.gz BSRVSIAHPSQANK-HZPDHXFCSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c[nH]2)C1 ZINC000576931942 1072530671 /nfs/dbraw/zinc/53/06/71/1072530671.db2.gz BSRVSIAHPSQANK-JKSUJKDBSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N[C@@H]3CC[N@H+](CCOC)C3)c[nH]2)C1 ZINC000576931942 1072530657 /nfs/dbraw/zinc/53/06/57/1072530657.db2.gz BSRVSIAHPSQANK-JKSUJKDBSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@H]3CC[N@H+](CCOC)C3)c2)C1 ZINC000576931942 1072530640 /nfs/dbraw/zinc/53/06/40/1072530640.db2.gz BSRVSIAHPSQANK-JKSUJKDBSA-N 2 1 443.570 -0.536 20 0 IBADMP COCC[NH+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000576931942 1072530628 /nfs/dbraw/zinc/53/06/28/1072530628.db2.gz BSRVSIAHPSQANK-JKSUJKDBSA-N 2 1 443.570 -0.536 20 0 IBADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576966625 1072531473 /nfs/dbraw/zinc/53/14/73/1072531473.db2.gz GVCSFTHVCLDXSZ-UHFFFAOYSA-N 2 1 425.574 -0.384 20 0 IBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000577676685 1072547479 /nfs/dbraw/zinc/54/74/79/1072547479.db2.gz OIHHUQCZUKIVRL-UHFFFAOYSA-N 2 1 425.574 -0.386 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000577728833 1072548738 /nfs/dbraw/zinc/54/87/38/1072548738.db2.gz SOUKIUKYPGAQPC-FQEVSTJZSA-N 2 1 442.564 -0.073 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000577728835 1072548465 /nfs/dbraw/zinc/54/84/65/1072548465.db2.gz SOUKIUKYPGAQPC-HXUWFJFHSA-N 2 1 442.564 -0.073 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000578087110 1072556318 /nfs/dbraw/zinc/55/63/18/1072556318.db2.gz BMHBKWFGJBBTJJ-IBGZPJMESA-N 2 1 431.537 -0.850 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000578087110 1072556311 /nfs/dbraw/zinc/55/63/11/1072556311.db2.gz BMHBKWFGJBBTJJ-IBGZPJMESA-N 2 1 431.537 -0.850 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000578087111 1072556197 /nfs/dbraw/zinc/55/61/97/1072556197.db2.gz BMHBKWFGJBBTJJ-LJQANCHMSA-N 2 1 431.537 -0.850 20 0 IBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000578087111 1072556191 /nfs/dbraw/zinc/55/61/91/1072556191.db2.gz BMHBKWFGJBBTJJ-LJQANCHMSA-N 2 1 431.537 -0.850 20 0 IBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000578344367 1072561938 /nfs/dbraw/zinc/56/19/38/1072561938.db2.gz SJOOLGCBOCASSO-UHFFFAOYSA-N 2 1 432.569 -0.245 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000578851338 1072571494 /nfs/dbraw/zinc/57/14/94/1072571494.db2.gz FPBXDFQODRQFOE-IBGZPJMESA-N 2 1 429.565 -0.006 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000578851338 1072571479 /nfs/dbraw/zinc/57/14/79/1072571479.db2.gz FPBXDFQODRQFOE-IBGZPJMESA-N 2 1 429.565 -0.006 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000578851339 1072571828 /nfs/dbraw/zinc/57/18/28/1072571828.db2.gz FPBXDFQODRQFOE-LJQANCHMSA-N 2 1 429.565 -0.006 20 0 IBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000578851339 1072571819 /nfs/dbraw/zinc/57/18/19/1072571819.db2.gz FPBXDFQODRQFOE-LJQANCHMSA-N 2 1 429.565 -0.006 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000578932599 1072573787 /nfs/dbraw/zinc/57/37/87/1072573787.db2.gz LJOHJZVQHKMBAW-MOPGFXCFSA-N 2 1 437.585 -0.507 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000578932602 1072573870 /nfs/dbraw/zinc/57/38/70/1072573870.db2.gz LJOHJZVQHKMBAW-OALUTQOASA-N 2 1 437.585 -0.507 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000578932603 1072573925 /nfs/dbraw/zinc/57/39/25/1072573925.db2.gz LJOHJZVQHKMBAW-RBUKOAKNSA-N 2 1 437.585 -0.507 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000578932604 1072573984 /nfs/dbraw/zinc/57/39/84/1072573984.db2.gz LJOHJZVQHKMBAW-RTBURBONSA-N 2 1 437.585 -0.507 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000578973329 1072574953 /nfs/dbraw/zinc/57/49/53/1072574953.db2.gz MCMSNVOHFBZMMS-GOSISDBHSA-N 2 1 439.601 -0.138 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000578973329 1072574951 /nfs/dbraw/zinc/57/49/51/1072574951.db2.gz MCMSNVOHFBZMMS-GOSISDBHSA-N 2 1 439.601 -0.138 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000578973337 1072574807 /nfs/dbraw/zinc/57/48/07/1072574807.db2.gz MCMSNVOHFBZMMS-SFHVURJKSA-N 2 1 439.601 -0.138 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000578973337 1072574795 /nfs/dbraw/zinc/57/47/95/1072574795.db2.gz MCMSNVOHFBZMMS-SFHVURJKSA-N 2 1 439.601 -0.138 20 0 IBADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000579138920 1072577196 /nfs/dbraw/zinc/57/71/96/1072577196.db2.gz YWOQBXPOGBQZFF-UHFFFAOYSA-N 2 1 436.601 -0.713 20 0 IBADMP O=C(NCc1ccnc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1)[C@H]1C[NH+]2CCN1CCC2 ZINC000579217616 1072262886 /nfs/dbraw/zinc/26/28/86/1072262886.db2.gz CSWUAACQGIPCKU-MOPGFXCFSA-N 2 1 427.553 -0.584 20 0 IBADMP O=C(NCc1ccnc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000579217617 1072262796 /nfs/dbraw/zinc/26/27/96/1072262796.db2.gz CSWUAACQGIPCKU-OALUTQOASA-N 2 1 427.553 -0.584 20 0 IBADMP O=C(Nc1cc(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)ccn1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000579217618 1072263024 /nfs/dbraw/zinc/26/30/24/1072263024.db2.gz CSWUAACQGIPCKU-RBUKOAKNSA-N 2 1 427.553 -0.584 20 0 IBADMP O=C(NCc1ccnc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1)[C@H]1C[NH+]2CCN1CCC2 ZINC000579217619 1072262971 /nfs/dbraw/zinc/26/29/71/1072262971.db2.gz CSWUAACQGIPCKU-RTBURBONSA-N 2 1 427.553 -0.584 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000579738826 1070795759 /nfs/dbraw/zinc/79/57/59/1070795759.db2.gz BYWQPHDRXLXVNZ-GOSISDBHSA-N 2 1 425.574 -0.528 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000579738827 1070795578 /nfs/dbraw/zinc/79/55/78/1070795578.db2.gz BYWQPHDRXLXVNZ-SFHVURJKSA-N 2 1 425.574 -0.528 20 0 IBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000579763924 1070799267 /nfs/dbraw/zinc/79/92/67/1070799267.db2.gz UCJWFQDPVRILSU-NRFANRHFSA-N 2 1 431.581 -0.035 20 0 IBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000579763924 1070799245 /nfs/dbraw/zinc/79/92/45/1070799245.db2.gz UCJWFQDPVRILSU-NRFANRHFSA-N 2 1 431.581 -0.035 20 0 IBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000579763924 1070799225 /nfs/dbraw/zinc/79/92/25/1070799225.db2.gz UCJWFQDPVRILSU-NRFANRHFSA-N 2 1 431.581 -0.035 20 0 IBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000579763925 1070799496 /nfs/dbraw/zinc/79/94/96/1070799496.db2.gz UCJWFQDPVRILSU-OAQYLSRUSA-N 2 1 431.581 -0.035 20 0 IBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000579763925 1070799483 /nfs/dbraw/zinc/79/94/83/1070799483.db2.gz UCJWFQDPVRILSU-OAQYLSRUSA-N 2 1 431.581 -0.035 20 0 IBADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000579763925 1070799466 /nfs/dbraw/zinc/79/94/66/1070799466.db2.gz UCJWFQDPVRILSU-OAQYLSRUSA-N 2 1 431.581 -0.035 20 0 IBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000581016913 1070958911 /nfs/dbraw/zinc/95/89/11/1070958911.db2.gz ABRKCTNLEOFZLZ-IBGZPJMESA-N 2 1 446.596 -0.362 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000581016919 1070958988 /nfs/dbraw/zinc/95/89/88/1070958988.db2.gz ABRKCTNLEOFZLZ-LJQANCHMSA-N 2 1 446.596 -0.362 20 0 IBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000581673521 1070990848 /nfs/dbraw/zinc/99/08/48/1070990848.db2.gz SSZGZXDJSBSXJV-UHFFFAOYSA-N 2 1 433.553 -0.088 20 0 IBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000581902117 1071006486 /nfs/dbraw/zinc/00/64/86/1071006486.db2.gz CDQDTWVSRCCNSF-UHFFFAOYSA-N 2 1 448.568 -0.755 20 0 IBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000582629559 1071112608 /nfs/dbraw/zinc/11/26/08/1071112608.db2.gz JGHUZENVGUCFPS-IBGZPJMESA-N 2 1 437.585 -0.243 20 0 IBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000582629564 1071112861 /nfs/dbraw/zinc/11/28/61/1071112861.db2.gz JGHUZENVGUCFPS-LJQANCHMSA-N 2 1 437.585 -0.243 20 0 IBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000582679894 1071115489 /nfs/dbraw/zinc/11/54/89/1071115489.db2.gz XKKDIORERCAISC-IBGZPJMESA-N 2 1 432.569 -0.077 20 0 IBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000582679895 1071116464 /nfs/dbraw/zinc/11/64/64/1071116464.db2.gz XKKDIORERCAISC-LJQANCHMSA-N 2 1 432.569 -0.077 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000583045579 1071146393 /nfs/dbraw/zinc/14/63/93/1071146393.db2.gz OJNAKNUFOTZMLL-FQEVSTJZSA-N 2 1 445.564 -0.508 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000583045579 1071146386 /nfs/dbraw/zinc/14/63/86/1071146386.db2.gz OJNAKNUFOTZMLL-FQEVSTJZSA-N 2 1 445.564 -0.508 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000583045580 1071146468 /nfs/dbraw/zinc/14/64/68/1071146468.db2.gz OJNAKNUFOTZMLL-HXUWFJFHSA-N 2 1 445.564 -0.508 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000583045580 1071146463 /nfs/dbraw/zinc/14/64/63/1071146463.db2.gz OJNAKNUFOTZMLL-HXUWFJFHSA-N 2 1 445.564 -0.508 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000583490697 1071169471 /nfs/dbraw/zinc/16/94/71/1071169471.db2.gz VXTWDQFHMQGXLI-UHFFFAOYSA-N 2 1 445.612 -0.018 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583505348 1071170228 /nfs/dbraw/zinc/17/02/28/1071170228.db2.gz BMXSCTKISMSXAE-FGTMMUONSA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583505348 1071170222 /nfs/dbraw/zinc/17/02/22/1071170222.db2.gz BMXSCTKISMSXAE-FGTMMUONSA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583505348 1071170216 /nfs/dbraw/zinc/17/02/16/1071170216.db2.gz BMXSCTKISMSXAE-FGTMMUONSA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583505349 1071170345 /nfs/dbraw/zinc/17/03/45/1071170345.db2.gz BMXSCTKISMSXAE-KSZLIROESA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583505349 1071170329 /nfs/dbraw/zinc/17/03/29/1071170329.db2.gz BMXSCTKISMSXAE-KSZLIROESA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583505349 1071170325 /nfs/dbraw/zinc/17/03/25/1071170325.db2.gz BMXSCTKISMSXAE-KSZLIROESA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000583505350 1071170414 /nfs/dbraw/zinc/17/04/14/1071170414.db2.gz BMXSCTKISMSXAE-KURKYZTESA-N 2 1 425.574 -0.339 20 0 IBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000583505351 1071170142 /nfs/dbraw/zinc/17/01/42/1071170142.db2.gz BMXSCTKISMSXAE-KZNAEPCWSA-N 2 1 425.574 -0.339 20 0 IBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC000583803667 1071202173 /nfs/dbraw/zinc/20/21/73/1071202173.db2.gz JRONAZHQVOQHFM-GOSISDBHSA-N 2 1 446.552 -0.202 20 0 IBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC000583803668 1071202304 /nfs/dbraw/zinc/20/23/04/1071202304.db2.gz JRONAZHQVOQHFM-SFHVURJKSA-N 2 1 446.552 -0.202 20 0 IBADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000584127723 1071215873 /nfs/dbraw/zinc/21/58/73/1071215873.db2.gz MWHFUVLPUZDTST-DFNIBXOVSA-N 2 1 434.585 -0.964 20 0 IBADMP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000584127723 1071215861 /nfs/dbraw/zinc/21/58/61/1071215861.db2.gz MWHFUVLPUZDTST-DFNIBXOVSA-N 2 1 434.585 -0.964 20 0 IBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236323 1072174830 /nfs/dbraw/zinc/17/48/30/1072174830.db2.gz BMGCCTHVRLENLP-CTNGQTDRSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236323 1072174822 /nfs/dbraw/zinc/17/48/22/1072174822.db2.gz BMGCCTHVRLENLP-CTNGQTDRSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236324 1072174668 /nfs/dbraw/zinc/17/46/68/1072174668.db2.gz BMGCCTHVRLENLP-FPOVZHCZSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236324 1072174663 /nfs/dbraw/zinc/17/46/63/1072174663.db2.gz BMGCCTHVRLENLP-FPOVZHCZSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236325 1072175065 /nfs/dbraw/zinc/17/50/65/1072175065.db2.gz BMGCCTHVRLENLP-PZJWPPBQSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236325 1072175062 /nfs/dbraw/zinc/17/50/62/1072175062.db2.gz BMGCCTHVRLENLP-PZJWPPBQSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236326 1072174740 /nfs/dbraw/zinc/17/47/40/1072174740.db2.gz BMGCCTHVRLENLP-TZIWHRDSSA-N 2 1 434.629 -0.102 20 0 IBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)C2)CC1 ZINC000588236326 1072174736 /nfs/dbraw/zinc/17/47/36/1072174736.db2.gz BMGCCTHVRLENLP-TZIWHRDSSA-N 2 1 434.629 -0.102 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600082224 1073365365 /nfs/dbraw/zinc/36/53/65/1073365365.db2.gz MPPIFCONUYHVMH-MOPGFXCFSA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600082224 1073365359 /nfs/dbraw/zinc/36/53/59/1073365359.db2.gz MPPIFCONUYHVMH-MOPGFXCFSA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600082225 1073365160 /nfs/dbraw/zinc/36/51/60/1073365160.db2.gz MPPIFCONUYHVMH-OALUTQOASA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600082225 1073365154 /nfs/dbraw/zinc/36/51/54/1073365154.db2.gz MPPIFCONUYHVMH-OALUTQOASA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600082226 1073365333 /nfs/dbraw/zinc/36/53/33/1073365333.db2.gz MPPIFCONUYHVMH-RBUKOAKNSA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600082226 1073365328 /nfs/dbraw/zinc/36/53/28/1073365328.db2.gz MPPIFCONUYHVMH-RBUKOAKNSA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600082227 1073365038 /nfs/dbraw/zinc/36/50/38/1073365038.db2.gz MPPIFCONUYHVMH-RTBURBONSA-N 2 1 437.585 -0.241 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600082227 1073365024 /nfs/dbraw/zinc/36/50/24/1073365024.db2.gz MPPIFCONUYHVMH-RTBURBONSA-N 2 1 437.585 -0.241 20 0 IBADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600088961 1073365821 /nfs/dbraw/zinc/36/58/21/1073365821.db2.gz QLBACQWOMQUEDZ-MOPGFXCFSA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600088961 1073365810 /nfs/dbraw/zinc/36/58/10/1073365810.db2.gz QLBACQWOMQUEDZ-MOPGFXCFSA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600088963 1073365620 /nfs/dbraw/zinc/36/56/20/1073365620.db2.gz QLBACQWOMQUEDZ-OALUTQOASA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600088963 1073365615 /nfs/dbraw/zinc/36/56/15/1073365615.db2.gz QLBACQWOMQUEDZ-OALUTQOASA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600088965 1073366128 /nfs/dbraw/zinc/36/61/28/1073366128.db2.gz QLBACQWOMQUEDZ-RBUKOAKNSA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600088965 1073366117 /nfs/dbraw/zinc/36/61/17/1073366117.db2.gz QLBACQWOMQUEDZ-RBUKOAKNSA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600088967 1073366050 /nfs/dbraw/zinc/36/60/50/1073366050.db2.gz QLBACQWOMQUEDZ-RTBURBONSA-N 2 1 435.569 -0.360 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600088967 1073366041 /nfs/dbraw/zinc/36/60/41/1073366041.db2.gz QLBACQWOMQUEDZ-RTBURBONSA-N 2 1 435.569 -0.360 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600963210 1072549296 /nfs/dbraw/zinc/54/92/96/1072549296.db2.gz SQGGCKCGCSIRKY-MSOLQXFVSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600963210 1072549285 /nfs/dbraw/zinc/54/92/85/1072549285.db2.gz SQGGCKCGCSIRKY-MSOLQXFVSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600963210 1072549279 /nfs/dbraw/zinc/54/92/79/1072549279.db2.gz SQGGCKCGCSIRKY-MSOLQXFVSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600963210 1072549272 /nfs/dbraw/zinc/54/92/72/1072549272.db2.gz SQGGCKCGCSIRKY-MSOLQXFVSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600963211 1071132292 /nfs/dbraw/zinc/13/22/92/1071132292.db2.gz SQGGCKCGCSIRKY-QZTJIDSGSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600963211 1071132287 /nfs/dbraw/zinc/13/22/87/1071132287.db2.gz SQGGCKCGCSIRKY-QZTJIDSGSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600963211 1071132278 /nfs/dbraw/zinc/13/22/78/1071132278.db2.gz SQGGCKCGCSIRKY-QZTJIDSGSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600963211 1071132274 /nfs/dbraw/zinc/13/22/74/1071132274.db2.gz SQGGCKCGCSIRKY-QZTJIDSGSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600963212 1072549120 /nfs/dbraw/zinc/54/91/20/1072549120.db2.gz SQGGCKCGCSIRKY-ROUUACIJSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600963212 1072549115 /nfs/dbraw/zinc/54/91/15/1072549115.db2.gz SQGGCKCGCSIRKY-ROUUACIJSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600963212 1072549109 /nfs/dbraw/zinc/54/91/09/1072549109.db2.gz SQGGCKCGCSIRKY-ROUUACIJSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600963212 1072549101 /nfs/dbraw/zinc/54/91/01/1072549101.db2.gz SQGGCKCGCSIRKY-ROUUACIJSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600963213 1072549186 /nfs/dbraw/zinc/54/91/86/1072549186.db2.gz SQGGCKCGCSIRKY-ZWKOTPCHSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600963213 1072549170 /nfs/dbraw/zinc/54/91/70/1072549170.db2.gz SQGGCKCGCSIRKY-ZWKOTPCHSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600963213 1072549161 /nfs/dbraw/zinc/54/91/61/1072549161.db2.gz SQGGCKCGCSIRKY-ZWKOTPCHSA-N 2 1 443.614 -0.455 20 0 IBADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600963213 1072549152 /nfs/dbraw/zinc/54/91/52/1072549152.db2.gz SQGGCKCGCSIRKY-ZWKOTPCHSA-N 2 1 443.614 -0.455 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371114 1072317192 /nfs/dbraw/zinc/31/71/92/1072317192.db2.gz CQPKXDQMZZDICG-PMACEKPBSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371114 1072317183 /nfs/dbraw/zinc/31/71/83/1072317183.db2.gz CQPKXDQMZZDICG-PMACEKPBSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371131 1072317578 /nfs/dbraw/zinc/31/75/78/1072317578.db2.gz CQPKXDQMZZDICG-UXHICEINSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371131 1072317571 /nfs/dbraw/zinc/31/75/71/1072317571.db2.gz CQPKXDQMZZDICG-UXHICEINSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371135 1072317298 /nfs/dbraw/zinc/31/72/98/1072317298.db2.gz CQPKXDQMZZDICG-VQTJNVASSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371135 1072317283 /nfs/dbraw/zinc/31/72/83/1072317283.db2.gz CQPKXDQMZZDICG-VQTJNVASSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371138 1072317539 /nfs/dbraw/zinc/31/75/39/1072317539.db2.gz CQPKXDQMZZDICG-WOJBJXKFSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371138 1072317531 /nfs/dbraw/zinc/31/75/31/1072317531.db2.gz CQPKXDQMZZDICG-WOJBJXKFSA-N 2 1 437.585 -0.778 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604637002 1072323795 /nfs/dbraw/zinc/32/37/95/1072323795.db2.gz LYDLGZHAUYZSNB-FQEVSTJZSA-N 2 1 446.600 -0.306 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604637002 1072323790 /nfs/dbraw/zinc/32/37/90/1072323790.db2.gz LYDLGZHAUYZSNB-FQEVSTJZSA-N 2 1 446.600 -0.306 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604637003 1072323827 /nfs/dbraw/zinc/32/38/27/1072323827.db2.gz LYDLGZHAUYZSNB-HXUWFJFHSA-N 2 1 446.600 -0.306 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604637003 1072323820 /nfs/dbraw/zinc/32/38/20/1072323820.db2.gz LYDLGZHAUYZSNB-HXUWFJFHSA-N 2 1 446.600 -0.306 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)cc2)CC1 ZINC000605430924 1072350371 /nfs/dbraw/zinc/35/03/71/1072350371.db2.gz WOEJGWDCGIMHGL-UHFFFAOYSA-N 2 1 445.564 -0.095 20 0 IBADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccc2oc1=O ZINC000606120557 1072363541 /nfs/dbraw/zinc/36/35/41/1072363541.db2.gz AIHHMYZXJWXVOF-HNNXBMFYSA-N 2 1 446.508 -0.449 20 0 IBADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccc2oc1=O ZINC000606120564 1072363588 /nfs/dbraw/zinc/36/35/88/1072363588.db2.gz AIHHMYZXJWXVOF-OAHLLOKOSA-N 2 1 446.508 -0.449 20 0 IBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000606121183 1072363638 /nfs/dbraw/zinc/36/36/38/1072363638.db2.gz IZDCFYITVSUGKK-IBGZPJMESA-N 2 1 431.537 -0.044 20 0 IBADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000606121183 1072363632 /nfs/dbraw/zinc/36/36/32/1072363632.db2.gz IZDCFYITVSUGKK-IBGZPJMESA-N 2 1 431.537 -0.044 20 0 IBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000606121189 1072363513 /nfs/dbraw/zinc/36/35/13/1072363513.db2.gz IZDCFYITVSUGKK-LJQANCHMSA-N 2 1 431.537 -0.044 20 0 IBADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000606121189 1072363508 /nfs/dbraw/zinc/36/35/08/1072363508.db2.gz IZDCFYITVSUGKK-LJQANCHMSA-N 2 1 431.537 -0.044 20 0 IBADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000606121248 1072364167 /nfs/dbraw/zinc/36/41/67/1072364167.db2.gz KPMWZHOIQSHHBM-IBGZPJMESA-N 2 1 430.553 -0.172 20 0 IBADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000606121250 1072364072 /nfs/dbraw/zinc/36/40/72/1072364072.db2.gz KPMWZHOIQSHHBM-LJQANCHMSA-N 2 1 430.553 -0.172 20 0 IBADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000607269401 1072380333 /nfs/dbraw/zinc/38/03/33/1072380333.db2.gz GOWNVCFJNFNUIX-UHFFFAOYSA-N 2 1 431.537 -0.024 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608661173 1072400971 /nfs/dbraw/zinc/40/09/71/1072400971.db2.gz MKQNZPLZVRRBLH-GOSISDBHSA-N 2 1 432.635 -0.379 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608661174 1072401613 /nfs/dbraw/zinc/40/16/13/1072401613.db2.gz MKQNZPLZVRRBLH-SFHVURJKSA-N 2 1 432.635 -0.379 20 0 IBADMP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000616374510 1072999894 /nfs/dbraw/zinc/99/98/94/1072999894.db2.gz AQNCZXLEHNNVOT-UHFFFAOYSA-N 2 1 444.580 -0.305 20 0 IBADMP Cn1c2ncn(CCC(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000619176837 1073022134 /nfs/dbraw/zinc/02/21/34/1073022134.db2.gz OFFISUAAXFYXPG-UHFFFAOYSA-N 2 1 426.481 -0.391 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000645614880 1072637783 /nfs/dbraw/zinc/63/77/83/1072637783.db2.gz KEEPTDXAZOLOJY-FXAWDEMLSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000645614880 1072637781 /nfs/dbraw/zinc/63/77/81/1072637781.db2.gz KEEPTDXAZOLOJY-FXAWDEMLSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000645614881 1072637553 /nfs/dbraw/zinc/63/75/53/1072637553.db2.gz KEEPTDXAZOLOJY-PXNSSMCTSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000645614881 1072637546 /nfs/dbraw/zinc/63/75/46/1072637546.db2.gz KEEPTDXAZOLOJY-PXNSSMCTSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000645614882 1072637734 /nfs/dbraw/zinc/63/77/34/1072637734.db2.gz KEEPTDXAZOLOJY-XLIONFOSSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000645614882 1072637729 /nfs/dbraw/zinc/63/77/29/1072637729.db2.gz KEEPTDXAZOLOJY-XLIONFOSSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000645614883 1072637576 /nfs/dbraw/zinc/63/75/76/1072637576.db2.gz KEEPTDXAZOLOJY-YLJYHZDGSA-N 2 1 442.564 -0.002 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000645614883 1072637571 /nfs/dbraw/zinc/63/75/71/1072637571.db2.gz KEEPTDXAZOLOJY-YLJYHZDGSA-N 2 1 442.564 -0.002 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000647677991 1072648133 /nfs/dbraw/zinc/64/81/33/1072648133.db2.gz LPBQCEJRYZBQPI-CIAFKFPVSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000647677991 1072648129 /nfs/dbraw/zinc/64/81/29/1072648129.db2.gz LPBQCEJRYZBQPI-CIAFKFPVSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000647677991 1072648123 /nfs/dbraw/zinc/64/81/23/1072648123.db2.gz LPBQCEJRYZBQPI-CIAFKFPVSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000647677992 1072647953 /nfs/dbraw/zinc/64/79/53/1072647953.db2.gz LPBQCEJRYZBQPI-FNAHDJPLSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647677993 1072647999 /nfs/dbraw/zinc/64/79/99/1072647999.db2.gz LPBQCEJRYZBQPI-GXRSIYKFSA-N 2 1 446.640 -0.195 20 0 IBADMP C[NH+]1CCC[C@H]1[C@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000647822825 1072649051 /nfs/dbraw/zinc/64/90/51/1072649051.db2.gz ZDRLPQJJXMRNLH-JVSBHGNQSA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@H]1[C@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647822825 1072649042 /nfs/dbraw/zinc/64/90/42/1072649042.db2.gz ZDRLPQJJXMRNLH-JVSBHGNQSA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000647822825 1072649039 /nfs/dbraw/zinc/64/90/39/1072649039.db2.gz ZDRLPQJJXMRNLH-JVSBHGNQSA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000647822826 1072649213 /nfs/dbraw/zinc/64/92/13/1072649213.db2.gz ZDRLPQJJXMRNLH-WTGUMLROSA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000647822826 1072649209 /nfs/dbraw/zinc/64/92/09/1072649209.db2.gz ZDRLPQJJXMRNLH-WTGUMLROSA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647822826 1072649204 /nfs/dbraw/zinc/64/92/04/1072649204.db2.gz ZDRLPQJJXMRNLH-WTGUMLROSA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000647822827 1072649153 /nfs/dbraw/zinc/64/91/53/1072649153.db2.gz ZDRLPQJJXMRNLH-YRPNKDGESA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647822827 1072649149 /nfs/dbraw/zinc/64/91/49/1072649149.db2.gz ZDRLPQJJXMRNLH-YRPNKDGESA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000647822827 1072649145 /nfs/dbraw/zinc/64/91/45/1072649145.db2.gz ZDRLPQJJXMRNLH-YRPNKDGESA-N 2 1 438.569 -0.354 20 0 IBADMP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647822828 1071629891 /nfs/dbraw/zinc/62/98/91/1071629891.db2.gz ZDRLPQJJXMRNLH-ZRNYENFQSA-N 2 1 438.569 -0.354 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000670409046 1073227645 /nfs/dbraw/zinc/22/76/45/1073227645.db2.gz DDBPTKQCFVEUJY-CIAFKFPVSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000670409046 1073227638 /nfs/dbraw/zinc/22/76/38/1073227638.db2.gz DDBPTKQCFVEUJY-CIAFKFPVSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670409046 1073227630 /nfs/dbraw/zinc/22/76/30/1073227630.db2.gz DDBPTKQCFVEUJY-CIAFKFPVSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670409047 1073227495 /nfs/dbraw/zinc/22/74/95/1073227495.db2.gz DDBPTKQCFVEUJY-COPRSSIGSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670409047 1073227488 /nfs/dbraw/zinc/22/74/88/1073227488.db2.gz DDBPTKQCFVEUJY-COPRSSIGSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670409047 1073227482 /nfs/dbraw/zinc/22/74/82/1073227482.db2.gz DDBPTKQCFVEUJY-COPRSSIGSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670409048 1073227595 /nfs/dbraw/zinc/22/75/95/1073227595.db2.gz DDBPTKQCFVEUJY-GXRSIYKFSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670409049 1073227418 /nfs/dbraw/zinc/22/74/18/1073227418.db2.gz DDBPTKQCFVEUJY-YSFYHYPLSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670409049 1073227411 /nfs/dbraw/zinc/22/74/11/1073227411.db2.gz DDBPTKQCFVEUJY-YSFYHYPLSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670409049 1073227407 /nfs/dbraw/zinc/22/74/07/1073227407.db2.gz DDBPTKQCFVEUJY-YSFYHYPLSA-N 2 1 446.640 -0.195 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CCC3)s1 ZINC000670447442 1073253913 /nfs/dbraw/zinc/25/39/13/1073253913.db2.gz WJUGYGHYNZAUEJ-HDICACEKSA-N 2 1 446.621 -0.013 20 0 IBADMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CCC3)s1 ZINC000670447442 1073253906 /nfs/dbraw/zinc/25/39/06/1073253906.db2.gz WJUGYGHYNZAUEJ-HDICACEKSA-N 2 1 446.621 -0.013 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)c1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)s1 ZINC000670447442 1073253898 /nfs/dbraw/zinc/25/38/98/1073253898.db2.gz WJUGYGHYNZAUEJ-HDICACEKSA-N 2 1 446.621 -0.013 20 0 IBADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)c1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)s1 ZINC000670447443 1073254020 /nfs/dbraw/zinc/25/40/20/1073254020.db2.gz WJUGYGHYNZAUEJ-QZTJIDSGSA-N 2 1 446.621 -0.013 20 0 IBADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)c1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)s1 ZINC000670447444 1073253930 /nfs/dbraw/zinc/25/39/30/1073253930.db2.gz WJUGYGHYNZAUEJ-ROUUACIJSA-N 2 1 446.621 -0.013 20 0 IBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000670786776 1072994460 /nfs/dbraw/zinc/99/44/60/1072994460.db2.gz FCSLGANVYMFCRQ-FQEVSTJZSA-N 2 1 443.596 -0.312 20 0 IBADMP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000670786777 1072994431 /nfs/dbraw/zinc/99/44/31/1072994431.db2.gz FCSLGANVYMFCRQ-HXUWFJFHSA-N 2 1 443.596 -0.312 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670836931 1073005536 /nfs/dbraw/zinc/00/55/36/1073005536.db2.gz XCBROCJFAOZFML-UHFFFAOYSA-N 2 1 438.536 -0.151 20 0 IBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccn2)CC1 ZINC000670892130 1073016807 /nfs/dbraw/zinc/01/68/07/1073016807.db2.gz QOIFSMHDTOHAHY-FQEVSTJZSA-N 2 1 443.596 -0.312 20 0 IBADMP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccn2)CC1 ZINC000670892131 1073016859 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0 IBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672111553 1073150327 /nfs/dbraw/zinc/15/03/27/1073150327.db2.gz ZUVHFOBHYHUHGT-OALUTQOASA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672111554 1073150410 /nfs/dbraw/zinc/15/04/10/1073150410.db2.gz ZUVHFOBHYHUHGT-RBUKOAKNSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672111554 1073150407 /nfs/dbraw/zinc/15/04/07/1073150407.db2.gz ZUVHFOBHYHUHGT-RBUKOAKNSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672111554 1073150402 /nfs/dbraw/zinc/15/04/02/1073150402.db2.gz ZUVHFOBHYHUHGT-RBUKOAKNSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672111555 1073150488 /nfs/dbraw/zinc/15/04/88/1073150488.db2.gz ZUVHFOBHYHUHGT-RTBURBONSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672111555 1073150486 /nfs/dbraw/zinc/15/04/86/1073150486.db2.gz ZUVHFOBHYHUHGT-RTBURBONSA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672111555 1073150481 /nfs/dbraw/zinc/15/04/81/1073150481.db2.gz ZUVHFOBHYHUHGT-RTBURBONSA-N 2 1 436.601 -0.716 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672247728 1073161263 /nfs/dbraw/zinc/16/12/63/1073161263.db2.gz ZQBZRQDEADWAMD-DBVUQKKJSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672247728 1073161254 /nfs/dbraw/zinc/16/12/54/1073161254.db2.gz ZQBZRQDEADWAMD-DBVUQKKJSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000672247728 1073161243 /nfs/dbraw/zinc/16/12/43/1073161243.db2.gz ZQBZRQDEADWAMD-DBVUQKKJSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000672247728 1073161236 /nfs/dbraw/zinc/16/12/36/1073161236.db2.gz ZQBZRQDEADWAMD-DBVUQKKJSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672247729 1073161416 /nfs/dbraw/zinc/16/14/16/1073161416.db2.gz ZQBZRQDEADWAMD-FFZOFVMBSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672247729 1073161411 /nfs/dbraw/zinc/16/14/11/1073161411.db2.gz ZQBZRQDEADWAMD-FFZOFVMBSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000672247729 1073161404 /nfs/dbraw/zinc/16/14/04/1073161404.db2.gz ZQBZRQDEADWAMD-FFZOFVMBSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000672247729 1073161398 /nfs/dbraw/zinc/16/13/98/1073161398.db2.gz ZQBZRQDEADWAMD-FFZOFVMBSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672247730 1073161310 /nfs/dbraw/zinc/16/13/10/1073161310.db2.gz ZQBZRQDEADWAMD-PWIZWCRZSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672247730 1073161303 /nfs/dbraw/zinc/16/13/03/1073161303.db2.gz ZQBZRQDEADWAMD-PWIZWCRZSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000672247730 1073161295 /nfs/dbraw/zinc/16/12/95/1073161295.db2.gz ZQBZRQDEADWAMD-PWIZWCRZSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000672247730 1073161287 /nfs/dbraw/zinc/16/12/87/1073161287.db2.gz ZQBZRQDEADWAMD-PWIZWCRZSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672247731 1073161492 /nfs/dbraw/zinc/16/14/92/1073161492.db2.gz ZQBZRQDEADWAMD-VDGAXYAQSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672247731 1073161489 /nfs/dbraw/zinc/16/14/89/1073161489.db2.gz ZQBZRQDEADWAMD-VDGAXYAQSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000672247731 1073161485 /nfs/dbraw/zinc/16/14/85/1073161485.db2.gz ZQBZRQDEADWAMD-VDGAXYAQSA-N 2 1 445.564 -0.165 20 0 IBADMP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000672247731 1073161484 /nfs/dbraw/zinc/16/14/84/1073161484.db2.gz ZQBZRQDEADWAMD-VDGAXYAQSA-N 2 1 445.564 -0.165 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672513193 1073174135 /nfs/dbraw/zinc/17/41/35/1073174135.db2.gz UJWSDBCGBRRWDH-IBGZPJMESA-N 2 1 436.601 -0.716 20 0 IBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672513194 1073174162 /nfs/dbraw/zinc/17/41/62/1073174162.db2.gz UJWSDBCGBRRWDH-LJQANCHMSA-N 2 1 436.601 -0.716 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)C2)CC1 ZINC000672637281 1073177741 /nfs/dbraw/zinc/17/77/41/1073177741.db2.gz CVZZRMIQPBCYLS-FQEVSTJZSA-N 2 1 434.629 -0.243 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)C2)CC1 ZINC000672637281 1073177736 /nfs/dbraw/zinc/17/77/36/1073177736.db2.gz CVZZRMIQPBCYLS-FQEVSTJZSA-N 2 1 434.629 -0.243 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)C2)CC1 ZINC000672637282 1073178247 /nfs/dbraw/zinc/17/82/47/1073178247.db2.gz CVZZRMIQPBCYLS-HXUWFJFHSA-N 2 1 434.629 -0.243 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)C2)CC1 ZINC000672637282 1073178245 /nfs/dbraw/zinc/17/82/45/1073178245.db2.gz CVZZRMIQPBCYLS-HXUWFJFHSA-N 2 1 434.629 -0.243 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)C2)CC1 ZINC000672638090 1073179091 /nfs/dbraw/zinc/17/90/91/1073179091.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2)CC1 ZINC000672638090 1073179086 /nfs/dbraw/zinc/17/90/86/1073179086.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638090 1073179083 /nfs/dbraw/zinc/17/90/83/1073179083.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638090 1073179081 /nfs/dbraw/zinc/17/90/81/1073179081.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 2 1 434.585 -0.964 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638090 1073179078 /nfs/dbraw/zinc/17/90/78/1073179078.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)C2)CC1 ZINC000672638091 1073179221 /nfs/dbraw/zinc/17/92/21/1073179221.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2)CC1 ZINC000672638091 1073179218 /nfs/dbraw/zinc/17/92/18/1073179218.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638091 1073179215 /nfs/dbraw/zinc/17/92/15/1073179215.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638091 1073179211 /nfs/dbraw/zinc/17/92/11/1073179211.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 2 1 434.585 -0.964 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638091 1073179206 /nfs/dbraw/zinc/17/92/06/1073179206.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)C2)CC1 ZINC000672638092 1073179044 /nfs/dbraw/zinc/17/90/44/1073179044.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C2)CC1 ZINC000672638092 1073179042 /nfs/dbraw/zinc/17/90/42/1073179042.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638092 1073179039 /nfs/dbraw/zinc/17/90/39/1073179039.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638092 1073179035 /nfs/dbraw/zinc/17/90/35/1073179035.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 2 1 434.585 -0.964 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638092 1073179027 /nfs/dbraw/zinc/17/90/27/1073179027.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)C2)CC1 ZINC000672638093 1073179184 /nfs/dbraw/zinc/17/91/84/1073179184.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C2)CC1 ZINC000672638093 1073179180 /nfs/dbraw/zinc/17/91/80/1073179180.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638093 1073179176 /nfs/dbraw/zinc/17/91/76/1073179176.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[NH+]4C)CC3)C2)CC1 ZINC000672638093 1073179172 /nfs/dbraw/zinc/17/91/72/1073179172.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 2 1 434.585 -0.964 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638093 1073179168 /nfs/dbraw/zinc/17/91/68/1073179168.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 2 1 434.585 -0.964 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641140 1073180732 /nfs/dbraw/zinc/18/07/32/1073180732.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641140 1073180730 /nfs/dbraw/zinc/18/07/30/1073180730.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641140 1073180725 /nfs/dbraw/zinc/18/07/25/1073180725.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641140 1073180724 /nfs/dbraw/zinc/18/07/24/1073180724.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 2 1 434.629 -0.100 20 0 IBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641140 1073180713 /nfs/dbraw/zinc/18/07/13/1073180713.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641142 1073180866 /nfs/dbraw/zinc/18/08/66/1073180866.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641142 1073180864 /nfs/dbraw/zinc/18/08/64/1073180864.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641142 1073180862 /nfs/dbraw/zinc/18/08/62/1073180862.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641142 1073180858 /nfs/dbraw/zinc/18/08/58/1073180858.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 2 1 434.629 -0.100 20 0 IBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641142 1073180857 /nfs/dbraw/zinc/18/08/57/1073180857.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641143 1073180834 /nfs/dbraw/zinc/18/08/34/1073180834.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641143 1073180833 /nfs/dbraw/zinc/18/08/33/1073180833.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641143 1073180830 /nfs/dbraw/zinc/18/08/30/1073180830.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641143 1073180826 /nfs/dbraw/zinc/18/08/26/1073180826.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 2 1 434.629 -0.100 20 0 IBADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641143 1073180823 /nfs/dbraw/zinc/18/08/23/1073180823.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641145 1073180918 /nfs/dbraw/zinc/18/09/18/1073180918.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641145 1073180915 /nfs/dbraw/zinc/18/09/15/1073180915.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641145 1073180913 /nfs/dbraw/zinc/18/09/13/1073180913.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641145 1073180911 /nfs/dbraw/zinc/18/09/11/1073180911.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 2 1 434.629 -0.100 20 0 IBADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641145 1073180909 /nfs/dbraw/zinc/18/09/09/1073180909.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 2 1 434.629 -0.100 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641820 1073180515 /nfs/dbraw/zinc/18/05/15/1073180515.db2.gz XOKCLELUQSEPDG-GOSISDBHSA-N 2 1 434.585 -0.962 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641820 1073180512 /nfs/dbraw/zinc/18/05/12/1073180512.db2.gz XOKCLELUQSEPDG-GOSISDBHSA-N 2 1 434.585 -0.962 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641826 1073180538 /nfs/dbraw/zinc/18/05/38/1073180538.db2.gz XOKCLELUQSEPDG-SFHVURJKSA-N 2 1 434.585 -0.962 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641826 1073180534 /nfs/dbraw/zinc/18/05/34/1073180534.db2.gz XOKCLELUQSEPDG-SFHVURJKSA-N 2 1 434.585 -0.962 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642311 1073180464 /nfs/dbraw/zinc/18/04/64/1073180464.db2.gz GASOSFKSZAICLR-GOSISDBHSA-N 2 1 436.601 -0.716 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642311 1073180456 /nfs/dbraw/zinc/18/04/56/1073180456.db2.gz GASOSFKSZAICLR-GOSISDBHSA-N 2 1 436.601 -0.716 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642312 1073180492 /nfs/dbraw/zinc/18/04/92/1073180492.db2.gz GASOSFKSZAICLR-SFHVURJKSA-N 2 1 436.601 -0.716 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642312 1073180487 /nfs/dbraw/zinc/18/04/87/1073180487.db2.gz GASOSFKSZAICLR-SFHVURJKSA-N 2 1 436.601 -0.716 20 0 IBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2)CC1 ZINC000672642590 1073181261 /nfs/dbraw/zinc/18/12/61/1073181261.db2.gz OIQUNKZNPHFIEB-GOSISDBHSA-N 2 1 432.569 -0.077 20 0 IBADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2)CC1 ZINC000672642590 1073181257 /nfs/dbraw/zinc/18/12/57/1073181257.db2.gz OIQUNKZNPHFIEB-GOSISDBHSA-N 2 1 432.569 -0.077 20 0 IBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2)CC1 ZINC000672642591 1073181341 /nfs/dbraw/zinc/18/13/41/1073181341.db2.gz OIQUNKZNPHFIEB-SFHVURJKSA-N 2 1 432.569 -0.077 20 0 IBADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2)CC1 ZINC000672642591 1073181339 /nfs/dbraw/zinc/18/13/39/1073181339.db2.gz OIQUNKZNPHFIEB-SFHVURJKSA-N 2 1 432.569 -0.077 20 0 IBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000672647460 1073182595 /nfs/dbraw/zinc/18/25/95/1073182595.db2.gz XWGYHXHZSKJOTA-MOPGFXCFSA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000672647460 1073182589 /nfs/dbraw/zinc/18/25/89/1073182589.db2.gz XWGYHXHZSKJOTA-MOPGFXCFSA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000672647462 1073182627 /nfs/dbraw/zinc/18/26/27/1073182627.db2.gz XWGYHXHZSKJOTA-OALUTQOASA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000672647462 1073182625 /nfs/dbraw/zinc/18/26/25/1073182625.db2.gz XWGYHXHZSKJOTA-OALUTQOASA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000672647464 1073182761 /nfs/dbraw/zinc/18/27/61/1073182761.db2.gz XWGYHXHZSKJOTA-RBUKOAKNSA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000672647464 1073182756 /nfs/dbraw/zinc/18/27/56/1073182756.db2.gz XWGYHXHZSKJOTA-RBUKOAKNSA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000672647465 1073182649 /nfs/dbraw/zinc/18/26/49/1073182649.db2.gz XWGYHXHZSKJOTA-RTBURBONSA-N 2 1 439.601 -0.138 20 0 IBADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000672647465 1073182647 /nfs/dbraw/zinc/18/26/47/1073182647.db2.gz XWGYHXHZSKJOTA-RTBURBONSA-N 2 1 439.601 -0.138 20 0 IBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccn1 ZINC000673582537 1073228927 /nfs/dbraw/zinc/22/89/27/1073228927.db2.gz AUPQRZNQAOHCFE-IBGZPJMESA-N 2 1 432.569 -0.123 20 0 IBADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccn1 ZINC000673582538 1073228788 /nfs/dbraw/zinc/22/87/88/1073228788.db2.gz AUPQRZNQAOHCFE-LJQANCHMSA-N 2 1 432.569 -0.123 20 0 IBADMP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000673646770 1073239107 /nfs/dbraw/zinc/23/91/07/1073239107.db2.gz WZCOVXVGKMWSOF-UHFFFAOYSA-N 2 1 426.543 -0.394 20 0 IBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000676090669 1073289744 /nfs/dbraw/zinc/28/97/44/1073289744.db2.gz XZIORMLMLJOAKW-UHFFFAOYSA-N 2 1 429.529 -0.498 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000676091764 1073290075 /nfs/dbraw/zinc/29/00/75/1073290075.db2.gz LBRWIPJNGIXVOY-GOSISDBHSA-N 2 1 449.556 -0.787 20 0 IBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000676091765 1073290003 /nfs/dbraw/zinc/29/00/03/1073290003.db2.gz LBRWIPJNGIXVOY-SFHVURJKSA-N 2 1 449.556 -0.787 20 0 IBADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000676095023 1073289241 /nfs/dbraw/zinc/28/92/41/1073289241.db2.gz DVOHBZIHZCFYQN-UHFFFAOYSA-N 2 1 433.557 -0.214 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000683877801 1070922777 /nfs/dbraw/zinc/92/27/77/1070922777.db2.gz PVNPZMQLOLKYPX-HDICACEKSA-N 2 1 442.564 -0.145 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000683877801 1070922762 /nfs/dbraw/zinc/92/27/62/1070922762.db2.gz PVNPZMQLOLKYPX-HDICACEKSA-N 2 1 442.564 -0.145 20 0 IBADMP CC1(C)CN(c2cc(N3CC[N@@H+](CCO)C(C)(C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000684588526 1071039816 /nfs/dbraw/zinc/03/98/16/1071039816.db2.gz GIZBWKGWFOIZPG-UHFFFAOYSA-N 2 1 432.573 -0.090 20 0 IBADMP CC1(C)CN(c2cc(N3CC[N@H+](CCO)C(C)(C)C3)n3ncnc3n2)CC[NH+]1CCO ZINC000684588526 1071039809 /nfs/dbraw/zinc/03/98/09/1071039809.db2.gz GIZBWKGWFOIZPG-UHFFFAOYSA-N 2 1 432.573 -0.090 20 0 IBADMP CC1(C)CN(c2cc(N3CC[N@@H+](CCO)C(C)(C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000684588526 1071039804 /nfs/dbraw/zinc/03/98/04/1071039804.db2.gz GIZBWKGWFOIZPG-UHFFFAOYSA-N 2 1 432.573 -0.090 20 0 IBADMP C[C@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000685113262 1071157991 /nfs/dbraw/zinc/15/79/91/1071157991.db2.gz FZKFSKIPNGAIBQ-DOTOQJQBSA-N 2 1 425.574 -0.435 20 0 IBADMP C[C@@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000685113271 1071158109 /nfs/dbraw/zinc/15/81/09/1071158109.db2.gz FZKFSKIPNGAIBQ-NVXWUHKLSA-N 2 1 425.574 -0.435 20 0 IBADMP C[C@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000685113273 1071157924 /nfs/dbraw/zinc/15/79/24/1071157924.db2.gz FZKFSKIPNGAIBQ-RDJZCZTQSA-N 2 1 425.574 -0.435 20 0 IBADMP C[C@@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000685113275 1071158283 /nfs/dbraw/zinc/15/82/83/1071158283.db2.gz FZKFSKIPNGAIBQ-WBVHZDCISA-N 2 1 425.574 -0.435 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338550 1071236349 /nfs/dbraw/zinc/23/63/49/1071236349.db2.gz RVUNHYNOYZCBOB-HKUYNNGSSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338550 1071236337 /nfs/dbraw/zinc/23/63/37/1071236337.db2.gz RVUNHYNOYZCBOB-HKUYNNGSSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338552 1071236515 /nfs/dbraw/zinc/23/65/15/1071236515.db2.gz RVUNHYNOYZCBOB-IEBWSBKVSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685338552 1071236509 /nfs/dbraw/zinc/23/65/09/1071236509.db2.gz RVUNHYNOYZCBOB-IEBWSBKVSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338554 1071235967 /nfs/dbraw/zinc/23/59/67/1071235967.db2.gz RVUNHYNOYZCBOB-MJGOQNOKSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338554 1071235954 /nfs/dbraw/zinc/23/59/54/1071235954.db2.gz RVUNHYNOYZCBOB-MJGOQNOKSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338556 1071236217 /nfs/dbraw/zinc/23/62/17/1071236217.db2.gz RVUNHYNOYZCBOB-PKOBYXMFSA-N 2 1 437.585 -0.338 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685338556 1071236200 /nfs/dbraw/zinc/23/62/00/1071236200.db2.gz RVUNHYNOYZCBOB-PKOBYXMFSA-N 2 1 437.585 -0.338 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339843 1071233936 /nfs/dbraw/zinc/23/39/36/1071233936.db2.gz ADICHPGIARPNDP-HKUYNNGSSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685339843 1071233929 /nfs/dbraw/zinc/23/39/29/1071233929.db2.gz ADICHPGIARPNDP-HKUYNNGSSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339844 1071233734 /nfs/dbraw/zinc/23/37/34/1071233734.db2.gz ADICHPGIARPNDP-IEBWSBKVSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685339844 1071233732 /nfs/dbraw/zinc/23/37/32/1071233732.db2.gz ADICHPGIARPNDP-IEBWSBKVSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339845 1071235230 /nfs/dbraw/zinc/23/52/30/1071235230.db2.gz ADICHPGIARPNDP-MJGOQNOKSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685339845 1071235219 /nfs/dbraw/zinc/23/52/19/1071235219.db2.gz ADICHPGIARPNDP-MJGOQNOKSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339846 1071235307 /nfs/dbraw/zinc/23/53/07/1071235307.db2.gz ADICHPGIARPNDP-PKOBYXMFSA-N 2 1 439.601 -0.092 20 0 IBADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685339846 1071235296 /nfs/dbraw/zinc/23/52/96/1071235296.db2.gz ADICHPGIARPNDP-PKOBYXMFSA-N 2 1 439.601 -0.092 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344594 1071239484 /nfs/dbraw/zinc/23/94/84/1071239484.db2.gz ZCXCYTIHBGBZGF-AEFFLSMTSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344594 1071239467 /nfs/dbraw/zinc/23/94/67/1071239467.db2.gz ZCXCYTIHBGBZGF-AEFFLSMTSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344595 1071239319 /nfs/dbraw/zinc/23/93/19/1071239319.db2.gz ZCXCYTIHBGBZGF-FUHWJXTLSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685344595 1071239301 /nfs/dbraw/zinc/23/93/01/1071239301.db2.gz ZCXCYTIHBGBZGF-FUHWJXTLSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344596 1071239219 /nfs/dbraw/zinc/23/92/19/1071239219.db2.gz ZCXCYTIHBGBZGF-SJLPKXTDSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685344596 1071239208 /nfs/dbraw/zinc/23/92/08/1071239208.db2.gz ZCXCYTIHBGBZGF-SJLPKXTDSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344597 1071239445 /nfs/dbraw/zinc/23/94/45/1071239445.db2.gz ZCXCYTIHBGBZGF-WMZOPIPTSA-N 2 1 439.601 -0.236 20 0 IBADMP C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344597 1071239434 /nfs/dbraw/zinc/23/94/34/1071239434.db2.gz ZCXCYTIHBGBZGF-WMZOPIPTSA-N 2 1 439.601 -0.236 20 0 IBADMP O=C(CSCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842763 1073014496 /nfs/dbraw/zinc/01/44/96/1073014496.db2.gz MMTPCQYPQVFECX-BRSBDYLESA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842764 1073014378 /nfs/dbraw/zinc/01/43/78/1073014378.db2.gz MMTPCQYPQVFECX-TVFCKZIOSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842764 1073014372 /nfs/dbraw/zinc/01/43/72/1073014372.db2.gz MMTPCQYPQVFECX-TVFCKZIOSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729842764 1073014367 /nfs/dbraw/zinc/01/43/67/1073014367.db2.gz MMTPCQYPQVFECX-TVFCKZIOSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842765 1073014545 /nfs/dbraw/zinc/01/45/45/1073014545.db2.gz MMTPCQYPQVFECX-USTZCAOPSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842765 1073014540 /nfs/dbraw/zinc/01/45/40/1073014540.db2.gz MMTPCQYPQVFECX-USTZCAOPSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729842765 1073014536 /nfs/dbraw/zinc/01/45/36/1073014536.db2.gz MMTPCQYPQVFECX-USTZCAOPSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842766 1073014307 /nfs/dbraw/zinc/01/43/07/1073014307.db2.gz MMTPCQYPQVFECX-XMTFNYHQSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842766 1073014298 /nfs/dbraw/zinc/01/42/98/1073014298.db2.gz MMTPCQYPQVFECX-XMTFNYHQSA-N 2 1 426.583 -0.322 20 0 IBADMP O=C(CSCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729842766 1073014286 /nfs/dbraw/zinc/01/42/86/1073014286.db2.gz MMTPCQYPQVFECX-XMTFNYHQSA-N 2 1 426.583 -0.322 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735595829 1073492320 /nfs/dbraw/zinc/49/23/20/1073492320.db2.gz PTOTZLRCCBFCIU-PMACEKPBSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735595829 1073492311 /nfs/dbraw/zinc/49/23/11/1073492311.db2.gz PTOTZLRCCBFCIU-PMACEKPBSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735595832 1073492003 /nfs/dbraw/zinc/49/20/03/1073492003.db2.gz PTOTZLRCCBFCIU-UXHICEINSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735595832 1073491999 /nfs/dbraw/zinc/49/19/99/1073491999.db2.gz PTOTZLRCCBFCIU-UXHICEINSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735595834 1073492362 /nfs/dbraw/zinc/49/23/62/1073492362.db2.gz PTOTZLRCCBFCIU-VQTJNVASSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735595834 1073492355 /nfs/dbraw/zinc/49/23/55/1073492355.db2.gz PTOTZLRCCBFCIU-VQTJNVASSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735595837 1073492242 /nfs/dbraw/zinc/49/22/42/1073492242.db2.gz PTOTZLRCCBFCIU-WOJBJXKFSA-N 2 1 443.548 -0.079 20 0 IBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735595837 1073492239 /nfs/dbraw/zinc/49/22/39/1073492239.db2.gz PTOTZLRCCBFCIU-WOJBJXKFSA-N 2 1 443.548 -0.079 20 0 IBADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000761753443 1072647882 /nfs/dbraw/zinc/64/78/82/1072647882.db2.gz IOVWGSHNBKFELQ-UHFFFAOYSA-N 2 1 439.582 -0.095 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024499 1073612427 /nfs/dbraw/zinc/61/24/27/1073612427.db2.gz GZYZSMJQPZYYHW-INIZCTEOSA-N 2 1 434.541 -0.099 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024500 1073612290 /nfs/dbraw/zinc/61/22/90/1073612290.db2.gz GZYZSMJQPZYYHW-MRXNPFEDSA-N 2 1 434.541 -0.099 20 0 IBADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774955087 1074281375 /nfs/dbraw/zinc/28/13/75/1074281375.db2.gz HJWLUWKGHTVFDN-LEWJYISDSA-N 2 1 429.565 -0.100 20 0 IBADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774955089 1074281133 /nfs/dbraw/zinc/28/11/33/1074281133.db2.gz HJWLUWKGHTVFDN-NHCUHLMSSA-N 2 1 429.565 -0.100 20 0 IBADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774955090 1074281229 /nfs/dbraw/zinc/28/12/29/1074281229.db2.gz HJWLUWKGHTVFDN-RTWAWAEBSA-N 2 1 429.565 -0.100 20 0 IBADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774955091 1074281339 /nfs/dbraw/zinc/28/13/39/1074281339.db2.gz HJWLUWKGHTVFDN-SFTDATJTSA-N 2 1 429.565 -0.100 20 0 IBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000779650185 1072594973 /nfs/dbraw/zinc/59/49/73/1072594973.db2.gz LZCJIAJLXNTHKB-INIZCTEOSA-N 2 1 426.562 -0.347 20 0 IBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000779650185 1072594963 /nfs/dbraw/zinc/59/49/63/1072594963.db2.gz LZCJIAJLXNTHKB-INIZCTEOSA-N 2 1 426.562 -0.347 20 0 IBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000779650211 1072595430 /nfs/dbraw/zinc/59/54/30/1072595430.db2.gz LZCJIAJLXNTHKB-MRXNPFEDSA-N 2 1 426.562 -0.347 20 0 IBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000779650211 1072595426 /nfs/dbraw/zinc/59/54/26/1072595426.db2.gz LZCJIAJLXNTHKB-MRXNPFEDSA-N 2 1 426.562 -0.347 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000786655237 1073726187 /nfs/dbraw/zinc/72/61/87/1073726187.db2.gz KGCTXUZZBKEBDN-MSOLQXFVSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786655237 1073726182 /nfs/dbraw/zinc/72/61/82/1073726182.db2.gz KGCTXUZZBKEBDN-MSOLQXFVSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000786655240 1073726105 /nfs/dbraw/zinc/72/61/05/1073726105.db2.gz KGCTXUZZBKEBDN-QZTJIDSGSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786655240 1073726100 /nfs/dbraw/zinc/72/61/00/1073726100.db2.gz KGCTXUZZBKEBDN-QZTJIDSGSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000786655242 1073726026 /nfs/dbraw/zinc/72/60/26/1073726026.db2.gz KGCTXUZZBKEBDN-ROUUACIJSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786655242 1073726018 /nfs/dbraw/zinc/72/60/18/1073726018.db2.gz KGCTXUZZBKEBDN-ROUUACIJSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000786655244 1073725916 /nfs/dbraw/zinc/72/59/16/1073725916.db2.gz KGCTXUZZBKEBDN-ZWKOTPCHSA-N 2 1 431.541 -0.916 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786655244 1073725909 /nfs/dbraw/zinc/72/59/09/1073725909.db2.gz KGCTXUZZBKEBDN-ZWKOTPCHSA-N 2 1 431.541 -0.916 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787135633 1073738354 /nfs/dbraw/zinc/73/83/54/1073738354.db2.gz CHSZNZANJABYJF-MOPGFXCFSA-N 2 1 435.569 -0.489 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787135634 1073738428 /nfs/dbraw/zinc/73/84/28/1073738428.db2.gz CHSZNZANJABYJF-OALUTQOASA-N 2 1 435.569 -0.489 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787135635 1073738917 /nfs/dbraw/zinc/73/89/17/1073738917.db2.gz CHSZNZANJABYJF-RBUKOAKNSA-N 2 1 435.569 -0.489 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787135636 1073738760 /nfs/dbraw/zinc/73/87/60/1073738760.db2.gz CHSZNZANJABYJF-RTBURBONSA-N 2 1 435.569 -0.489 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000787186045 1073740619 /nfs/dbraw/zinc/74/06/19/1073740619.db2.gz YLDGHLQYHGMDMM-PMACEKPBSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000787186045 1073740613 /nfs/dbraw/zinc/74/06/13/1073740613.db2.gz YLDGHLQYHGMDMM-PMACEKPBSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000787186048 1073741277 /nfs/dbraw/zinc/74/12/77/1073741277.db2.gz YLDGHLQYHGMDMM-UXHICEINSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000787186048 1073741271 /nfs/dbraw/zinc/74/12/71/1073741271.db2.gz YLDGHLQYHGMDMM-UXHICEINSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000787186049 1073740999 /nfs/dbraw/zinc/74/09/99/1073740999.db2.gz YLDGHLQYHGMDMM-VQTJNVASSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000787186049 1073740995 /nfs/dbraw/zinc/74/09/95/1073740995.db2.gz YLDGHLQYHGMDMM-VQTJNVASSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000787186050 1073741046 /nfs/dbraw/zinc/74/10/46/1073741046.db2.gz YLDGHLQYHGMDMM-WOJBJXKFSA-N 2 1 443.548 -0.330 20 0 IBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000787186050 1073741037 /nfs/dbraw/zinc/74/10/37/1073741037.db2.gz YLDGHLQYHGMDMM-WOJBJXKFSA-N 2 1 443.548 -0.330 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000787503463 1073746410 /nfs/dbraw/zinc/74/64/10/1073746410.db2.gz XJYVFGWTKLOCIW-MOPGFXCFSA-N 2 1 430.553 -0.181 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000787503464 1073746285 /nfs/dbraw/zinc/74/62/85/1073746285.db2.gz XJYVFGWTKLOCIW-OALUTQOASA-N 2 1 430.553 -0.181 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000787503465 1073746517 /nfs/dbraw/zinc/74/65/17/1073746517.db2.gz XJYVFGWTKLOCIW-RBUKOAKNSA-N 2 1 430.553 -0.181 20 0 IBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000787503466 1073746371 /nfs/dbraw/zinc/74/63/71/1073746371.db2.gz XJYVFGWTKLOCIW-RTBURBONSA-N 2 1 430.553 -0.181 20 0 IBADMP C[NH+]1CC[C@@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000803107876 1072694587 /nfs/dbraw/zinc/69/45/87/1072694587.db2.gz FCMVTNBBDWSFJH-DNQXCXABSA-N 2 1 446.592 -0.083 20 0 IBADMP C[NH+]1CC[C@@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000803107877 1072694489 /nfs/dbraw/zinc/69/44/89/1072694489.db2.gz FCMVTNBBDWSFJH-PSWAGMNNSA-N 2 1 446.592 -0.083 20 0 IBADMP C[NH+]1CC[C@@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000803107877 1072694486 /nfs/dbraw/zinc/69/44/86/1072694486.db2.gz FCMVTNBBDWSFJH-PSWAGMNNSA-N 2 1 446.592 -0.083 20 0 IBADMP C[NH+]1CC[C@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000803107877 1072694481 /nfs/dbraw/zinc/69/44/81/1072694481.db2.gz FCMVTNBBDWSFJH-PSWAGMNNSA-N 2 1 446.592 -0.083 20 0 IBADMP C[NH+]1CC[C@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000803107878 1072694446 /nfs/dbraw/zinc/69/44/46/1072694446.db2.gz FCMVTNBBDWSFJH-ZEQRLZLVSA-N 2 1 446.592 -0.083 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000803660101 1072703536 /nfs/dbraw/zinc/70/35/36/1072703536.db2.gz SVXWMHWJJNJNBU-MOPGFXCFSA-N 2 1 431.537 -0.426 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000803660102 1072703562 /nfs/dbraw/zinc/70/35/62/1072703562.db2.gz SVXWMHWJJNJNBU-OALUTQOASA-N 2 1 431.537 -0.426 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000803660103 1072703452 /nfs/dbraw/zinc/70/34/52/1072703452.db2.gz SVXWMHWJJNJNBU-RBUKOAKNSA-N 2 1 431.537 -0.426 20 0 IBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000803660104 1072703429 /nfs/dbraw/zinc/70/34/29/1072703429.db2.gz SVXWMHWJJNJNBU-RTBURBONSA-N 2 1 431.537 -0.426 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804051316 1072814568 /nfs/dbraw/zinc/81/45/68/1072814568.db2.gz PIOSVTOMWURTPQ-MOPGFXCFSA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804051316 1072814564 /nfs/dbraw/zinc/81/45/64/1072814564.db2.gz PIOSVTOMWURTPQ-MOPGFXCFSA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804051317 1072814496 /nfs/dbraw/zinc/81/44/96/1072814496.db2.gz PIOSVTOMWURTPQ-OALUTQOASA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804051317 1072814488 /nfs/dbraw/zinc/81/44/88/1072814488.db2.gz PIOSVTOMWURTPQ-OALUTQOASA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804051318 1072814713 /nfs/dbraw/zinc/81/47/13/1072814713.db2.gz PIOSVTOMWURTPQ-RBUKOAKNSA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804051318 1072814704 /nfs/dbraw/zinc/81/47/04/1072814704.db2.gz PIOSVTOMWURTPQ-RBUKOAKNSA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804051319 1072815370 /nfs/dbraw/zinc/81/53/70/1072815370.db2.gz PIOSVTOMWURTPQ-RTBURBONSA-N 2 1 435.569 -0.632 20 0 IBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804051319 1072815357 /nfs/dbraw/zinc/81/53/57/1072815357.db2.gz PIOSVTOMWURTPQ-RTBURBONSA-N 2 1 435.569 -0.632 20 0 IBADMP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804052541 1072815646 /nfs/dbraw/zinc/81/56/46/1072815646.db2.gz FPRZQIQOZQCOGP-MOPGFXCFSA-N 2 1 445.568 -0.526 20 0 IBADMP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804052548 1072815307 /nfs/dbraw/zinc/81/53/07/1072815307.db2.gz FPRZQIQOZQCOGP-OALUTQOASA-N 2 1 445.568 -0.526 20 0 IBADMP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804052550 1072815732 /nfs/dbraw/zinc/81/57/32/1072815732.db2.gz FPRZQIQOZQCOGP-RBUKOAKNSA-N 2 1 445.568 -0.526 20 0 IBADMP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804052553 1072815265 /nfs/dbraw/zinc/81/52/65/1072815265.db2.gz FPRZQIQOZQCOGP-RTBURBONSA-N 2 1 445.568 -0.526 20 0 IBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056125 1072817838 /nfs/dbraw/zinc/81/78/38/1072817838.db2.gz JTCOGTFUJJKHKE-PMACEKPBSA-N 2 1 449.596 -0.194 20 0 IBADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056126 1072818169 /nfs/dbraw/zinc/81/81/69/1072818169.db2.gz JTCOGTFUJJKHKE-UXHICEINSA-N 2 1 449.596 -0.194 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056127 1072817861 /nfs/dbraw/zinc/81/78/61/1072817861.db2.gz JTCOGTFUJJKHKE-VQTJNVASSA-N 2 1 449.596 -0.194 20 0 IBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056128 1072818056 /nfs/dbraw/zinc/81/80/56/1072818056.db2.gz JTCOGTFUJJKHKE-WOJBJXKFSA-N 2 1 449.596 -0.194 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056777 1072817223 /nfs/dbraw/zinc/81/72/23/1072817223.db2.gz FKRDYHDEXPQOMM-PMACEKPBSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056777 1072817219 /nfs/dbraw/zinc/81/72/19/1072817219.db2.gz FKRDYHDEXPQOMM-PMACEKPBSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056777 1072817214 /nfs/dbraw/zinc/81/72/14/1072817214.db2.gz FKRDYHDEXPQOMM-PMACEKPBSA-N 3 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056778 1072817154 /nfs/dbraw/zinc/81/71/54/1072817154.db2.gz FKRDYHDEXPQOMM-UXHICEINSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056778 1072817153 /nfs/dbraw/zinc/81/71/53/1072817153.db2.gz FKRDYHDEXPQOMM-UXHICEINSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056778 1072817152 /nfs/dbraw/zinc/81/71/52/1072817152.db2.gz FKRDYHDEXPQOMM-UXHICEINSA-N 3 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056779 1072817205 /nfs/dbraw/zinc/81/72/05/1072817205.db2.gz FKRDYHDEXPQOMM-VQTJNVASSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056779 1072817199 /nfs/dbraw/zinc/81/71/99/1072817199.db2.gz FKRDYHDEXPQOMM-VQTJNVASSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056779 1072817197 /nfs/dbraw/zinc/81/71/97/1072817197.db2.gz FKRDYHDEXPQOMM-VQTJNVASSA-N 3 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056780 1072817149 /nfs/dbraw/zinc/81/71/49/1072817149.db2.gz FKRDYHDEXPQOMM-WOJBJXKFSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056780 1072817147 /nfs/dbraw/zinc/81/71/47/1072817147.db2.gz FKRDYHDEXPQOMM-WOJBJXKFSA-N 2 1 430.553 -0.311 20 0 IBADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056780 1072817145 /nfs/dbraw/zinc/81/71/45/1072817145.db2.gz FKRDYHDEXPQOMM-WOJBJXKFSA-N 3 1 430.553 -0.311 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804056889 1072817135 /nfs/dbraw/zinc/81/71/35/1072817135.db2.gz TUXSENZKCUYBCR-PMACEKPBSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804056889 1072817134 /nfs/dbraw/zinc/81/71/34/1072817134.db2.gz TUXSENZKCUYBCR-PMACEKPBSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056891 1072817015 /nfs/dbraw/zinc/81/70/15/1072817015.db2.gz TUXSENZKCUYBCR-UXHICEINSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056891 1072817008 /nfs/dbraw/zinc/81/70/08/1072817008.db2.gz TUXSENZKCUYBCR-UXHICEINSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804056893 1072817092 /nfs/dbraw/zinc/81/70/92/1072817092.db2.gz TUXSENZKCUYBCR-VQTJNVASSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000804056893 1072817088 /nfs/dbraw/zinc/81/70/88/1072817088.db2.gz TUXSENZKCUYBCR-VQTJNVASSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056895 1072817160 /nfs/dbraw/zinc/81/71/60/1072817160.db2.gz TUXSENZKCUYBCR-WOJBJXKFSA-N 2 1 449.596 -0.241 20 0 IBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056895 1072817157 /nfs/dbraw/zinc/81/71/57/1072817157.db2.gz TUXSENZKCUYBCR-WOJBJXKFSA-N 2 1 449.596 -0.241 20 0 IBADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059660 1072818808 /nfs/dbraw/zinc/81/88/08/1072818808.db2.gz NAJMUSCRJYLRGN-MSOLQXFVSA-N 2 1 437.585 -0.291 20 0 IBADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059661 1072818776 /nfs/dbraw/zinc/81/87/76/1072818776.db2.gz NAJMUSCRJYLRGN-QZTJIDSGSA-N 2 1 437.585 -0.291 20 0 IBADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804059662 1072818876 /nfs/dbraw/zinc/81/88/76/1072818876.db2.gz NAJMUSCRJYLRGN-ROUUACIJSA-N 2 1 437.585 -0.291 20 0 IBADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804059663 1072818892 /nfs/dbraw/zinc/81/88/92/1072818892.db2.gz NAJMUSCRJYLRGN-ZWKOTPCHSA-N 2 1 437.585 -0.291 20 0 IBADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000804064672 1072820916 /nfs/dbraw/zinc/82/09/16/1072820916.db2.gz HSYSTGKPQKAQNY-KRWDZBQOSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000804064672 1072820907 /nfs/dbraw/zinc/82/09/07/1072820907.db2.gz HSYSTGKPQKAQNY-KRWDZBQOSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000804064673 1072821047 /nfs/dbraw/zinc/82/10/47/1072821047.db2.gz HSYSTGKPQKAQNY-QGZVFWFLSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000804064673 1072821044 /nfs/dbraw/zinc/82/10/44/1072821044.db2.gz HSYSTGKPQKAQNY-QGZVFWFLSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000804066450 1072821608 /nfs/dbraw/zinc/82/16/08/1072821608.db2.gz AMSKDYZOVVPZGL-KRWDZBQOSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000804066450 1072821605 /nfs/dbraw/zinc/82/16/05/1072821605.db2.gz AMSKDYZOVVPZGL-KRWDZBQOSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000804066451 1072821502 /nfs/dbraw/zinc/82/15/02/1072821502.db2.gz AMSKDYZOVVPZGL-QGZVFWFLSA-N 2 1 427.509 -0.104 20 0 IBADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000804066451 1072821493 /nfs/dbraw/zinc/82/14/93/1072821493.db2.gz AMSKDYZOVVPZGL-QGZVFWFLSA-N 2 1 427.509 -0.104 20 0 IBADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000849061704 1074351722 /nfs/dbraw/zinc/35/17/22/1074351722.db2.gz AVIUFIHHRMRZCG-UHFFFAOYSA-N 2 1 439.586 -0.630 20 0 IBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000919861186 1072925262 /nfs/dbraw/zinc/92/52/62/1072925262.db2.gz QFDZVUPJZNRASZ-AWEZNQCLSA-N 2 1 434.522 -0.063 20 0 IBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000919861189 1072925091 /nfs/dbraw/zinc/92/50/91/1072925091.db2.gz QFDZVUPJZNRASZ-CQSZACIVSA-N 2 1 434.522 -0.063 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001117737359 1073057289 /nfs/dbraw/zinc/05/72/89/1073057289.db2.gz LPJSFTVNVNYYSL-MHORFTMASA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001117737359 1073057285 /nfs/dbraw/zinc/05/72/85/1073057285.db2.gz LPJSFTVNVNYYSL-MHORFTMASA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC001117737359 1073057280 /nfs/dbraw/zinc/05/72/80/1073057280.db2.gz LPJSFTVNVNYYSL-MHORFTMASA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001117737360 1073057406 /nfs/dbraw/zinc/05/74/06/1073057406.db2.gz LPJSFTVNVNYYSL-USTZCAOPSA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001117737360 1073057397 /nfs/dbraw/zinc/05/73/97/1073057397.db2.gz LPJSFTVNVNYYSL-USTZCAOPSA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC001117737360 1073057390 /nfs/dbraw/zinc/05/73/90/1073057390.db2.gz LPJSFTVNVNYYSL-USTZCAOPSA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC001117737361 1073057355 /nfs/dbraw/zinc/05/73/55/1073057355.db2.gz LPJSFTVNVNYYSL-XLAORIBOSA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC001117737361 1073057348 /nfs/dbraw/zinc/05/73/48/1073057348.db2.gz LPJSFTVNVNYYSL-XLAORIBOSA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC001117737361 1073057341 /nfs/dbraw/zinc/05/73/41/1073057341.db2.gz LPJSFTVNVNYYSL-XLAORIBOSA-N 2 1 426.583 -0.945 20 0 IBADMP O=C(CSCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC001117737362 1073057466 /nfs/dbraw/zinc/05/74/66/1073057466.db2.gz LPJSFTVNVNYYSL-XSLAGTTESA-N 2 1 426.583 -0.945 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663786 1074059705 /nfs/dbraw/zinc/05/97/05/1074059705.db2.gz AMMGNAKJAWNGOE-MOPGFXCFSA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663786 1074059700 /nfs/dbraw/zinc/05/97/00/1074059700.db2.gz AMMGNAKJAWNGOE-MOPGFXCFSA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663787 1074060041 /nfs/dbraw/zinc/06/00/41/1074060041.db2.gz AMMGNAKJAWNGOE-OALUTQOASA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663787 1074060031 /nfs/dbraw/zinc/06/00/31/1074060031.db2.gz AMMGNAKJAWNGOE-OALUTQOASA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663788 1074059832 /nfs/dbraw/zinc/05/98/32/1074059832.db2.gz AMMGNAKJAWNGOE-RBUKOAKNSA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663788 1074059824 /nfs/dbraw/zinc/05/98/24/1074059824.db2.gz AMMGNAKJAWNGOE-RBUKOAKNSA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663789 1074059805 /nfs/dbraw/zinc/05/98/05/1074059805.db2.gz AMMGNAKJAWNGOE-RTBURBONSA-N 2 1 434.585 -0.169 20 0 IBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC001136663789 1074059798 /nfs/dbraw/zinc/05/97/98/1074059798.db2.gz AMMGNAKJAWNGOE-RTBURBONSA-N 2 1 434.585 -0.169 20 0 IBADMP CN1CC[NH+](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001143238050 1073096797 /nfs/dbraw/zinc/09/67/97/1073096797.db2.gz VWYQFMBXPJEGME-DSVUQQCSSA-N 3 1 443.633 -0.081 20 0 IBADMP CN1CC[NH+](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001143238051 1073096647 /nfs/dbraw/zinc/09/66/47/1073096647.db2.gz VWYQFMBXPJEGME-OAGDOXAWSA-N 3 1 443.633 -0.081 20 0 IBADMP CN1CC[NH+](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001143238052 1073096419 /nfs/dbraw/zinc/09/64/19/1073096419.db2.gz VWYQFMBXPJEGME-OEUJLIAZSA-N 3 1 443.633 -0.081 20 0 IBADMP CN1CC[NH+](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1 ZINC001143238053 1073096364 /nfs/dbraw/zinc/09/63/64/1073096364.db2.gz VWYQFMBXPJEGME-RDIJVOARSA-N 3 1 443.633 -0.081 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CC[NH+]2CCN(C)CC2)c2nonc21 ZINC001143238144 1073096767 /nfs/dbraw/zinc/09/67/67/1073096767.db2.gz YBEHDEDCMOWGIL-UHFFFAOYSA-N 2 1 439.542 -0.598 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001143484954 1071325478 /nfs/dbraw/zinc/32/54/78/1071325478.db2.gz UIZXWGHXHGWYCU-QPMXBGOESA-N 2 1 435.587 -0.141 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCCS2(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001143484955 1071325633 /nfs/dbraw/zinc/32/56/33/1071325633.db2.gz UIZXWGHXHGWYCU-VVHNNWHFSA-N 2 1 435.587 -0.141 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCCS2(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001143484956 1071325453 /nfs/dbraw/zinc/32/54/53/1071325453.db2.gz UIZXWGHXHGWYCU-ZAQXRACLSA-N 2 1 435.587 -0.141 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCS2(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001143484957 1071325502 /nfs/dbraw/zinc/32/55/02/1071325502.db2.gz UIZXWGHXHGWYCU-ZRNNSCFXSA-N 2 1 435.587 -0.141 20 0 IBADMP CCOC(=O)[C@]12CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]1C[NH2+]CC2 ZINC001154680638 1073145034 /nfs/dbraw/zinc/14/50/34/1073145034.db2.gz IYGANYKDSZGYKP-IIBYNOLFSA-N 2 1 447.540 -0.476 20 0 IBADMP O=S(=O)(c1ccccn1)N(c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001157111619 1073158325 /nfs/dbraw/zinc/15/83/25/1073158325.db2.gz KUGFKCRMYLULNN-AWEZNQCLSA-N 2 1 431.522 -0.131 20 0 IBADMP O=S(=O)(c1ccccn1)N(c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001157111620 1073158377 /nfs/dbraw/zinc/15/83/77/1073158377.db2.gz KUGFKCRMYLULNN-CQSZACIVSA-N 2 1 431.522 -0.131 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)cn21 ZINC001158118960 1073171271 /nfs/dbraw/zinc/17/12/71/1073171271.db2.gz FENUJTVQXDXUFX-AOMKIAJQSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)cn21 ZINC001158118960 1073171268 /nfs/dbraw/zinc/17/12/68/1073171268.db2.gz FENUJTVQXDXUFX-AOMKIAJQSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)cn21 ZINC001158118966 1073171733 /nfs/dbraw/zinc/17/17/33/1073171733.db2.gz FENUJTVQXDXUFX-KSFYIVLOSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)cn21 ZINC001158118966 1073171727 /nfs/dbraw/zinc/17/17/27/1073171727.db2.gz FENUJTVQXDXUFX-KSFYIVLOSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)cn21 ZINC001158118968 1073171619 /nfs/dbraw/zinc/17/16/19/1073171619.db2.gz FENUJTVQXDXUFX-OPAMFIHVSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)cn21 ZINC001158118968 1073171615 /nfs/dbraw/zinc/17/16/15/1073171615.db2.gz FENUJTVQXDXUFX-OPAMFIHVSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)cn21 ZINC001158118971 1073171560 /nfs/dbraw/zinc/17/15/60/1073171560.db2.gz FENUJTVQXDXUFX-ZHRRBRCNSA-N 2 1 438.536 -0.801 20 0 IBADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)cn21 ZINC001158118971 1073171551 /nfs/dbraw/zinc/17/15/51/1073171551.db2.gz FENUJTVQXDXUFX-ZHRRBRCNSA-N 2 1 438.536 -0.801 20 0 IBADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119502 1073171528 /nfs/dbraw/zinc/17/15/28/1073171528.db2.gz HQTMDVPAUMYHAO-IXFSTUDKSA-N 2 1 426.517 -0.154 20 0 IBADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119506 1073171693 /nfs/dbraw/zinc/17/16/93/1073171693.db2.gz HQTMDVPAUMYHAO-YZZKKUAISA-N 2 1 426.517 -0.154 20 0 IBADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352270 1073174867 /nfs/dbraw/zinc/17/48/67/1073174867.db2.gz MXHKWSYJUVIXLO-FIKGOQFSSA-N 2 1 431.541 -0.944 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384002 1073176501 /nfs/dbraw/zinc/17/65/01/1073176501.db2.gz PTVHUPBXMNTXFN-GDIGMMSISA-N 2 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384002 1073176500 /nfs/dbraw/zinc/17/65/00/1073176500.db2.gz PTVHUPBXMNTXFN-GDIGMMSISA-N 3 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384003 1073176467 /nfs/dbraw/zinc/17/64/67/1073176467.db2.gz PTVHUPBXMNTXFN-KYNGSXCRSA-N 2 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384003 1073176464 /nfs/dbraw/zinc/17/64/64/1073176464.db2.gz PTVHUPBXMNTXFN-KYNGSXCRSA-N 3 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384004 1073176519 /nfs/dbraw/zinc/17/65/19/1073176519.db2.gz PTVHUPBXMNTXFN-NIKGAXFTSA-N 2 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384004 1073176517 /nfs/dbraw/zinc/17/65/17/1073176517.db2.gz PTVHUPBXMNTXFN-NIKGAXFTSA-N 3 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384005 1073176438 /nfs/dbraw/zinc/17/64/38/1073176438.db2.gz PTVHUPBXMNTXFN-ZMYBRWDISA-N 2 1 448.486 -0.017 20 0 IBADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001158384005 1073176436 /nfs/dbraw/zinc/17/64/36/1073176436.db2.gz PTVHUPBXMNTXFN-ZMYBRWDISA-N 3 1 448.486 -0.017 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)CF ZINC001158626593 1073179344 /nfs/dbraw/zinc/17/93/44/1073179344.db2.gz USLMZIXTMLSEMW-DTFBLWLJSA-N 2 1 429.537 -0.561 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)C(=O)CF ZINC001158626593 1073179339 /nfs/dbraw/zinc/17/93/39/1073179339.db2.gz USLMZIXTMLSEMW-DTFBLWLJSA-N 2 1 429.537 -0.561 20 0 IBADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001158636384 1073181027 /nfs/dbraw/zinc/18/10/27/1073181027.db2.gz KYUPXYIIYYBEAU-FOIQADDNSA-N 2 1 433.513 -0.724 20 0 IBADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001158636386 1073180971 /nfs/dbraw/zinc/18/09/71/1073180971.db2.gz KYUPXYIIYYBEAU-MGPUTAFESA-N 2 1 433.513 -0.724 20 0 IBADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001158636387 1073180979 /nfs/dbraw/zinc/18/09/79/1073180979.db2.gz KYUPXYIIYYBEAU-QRWLVFNGSA-N 2 1 433.513 -0.724 20 0 IBADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001158636388 1073180960 /nfs/dbraw/zinc/18/09/60/1073180960.db2.gz KYUPXYIIYYBEAU-YWZLYKJASA-N 2 1 433.513 -0.724 20 0 IBADMP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158747269 1073185752 /nfs/dbraw/zinc/18/57/52/1073185752.db2.gz KPEXHAUPYSXGLS-GOSISDBHSA-N 2 1 435.525 -0.383 20 0 IBADMP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158747270 1073185761 /nfs/dbraw/zinc/18/57/61/1073185761.db2.gz KPEXHAUPYSXGLS-SFHVURJKSA-N 2 1 435.525 -0.383 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158747419 1073185687 /nfs/dbraw/zinc/18/56/87/1073185687.db2.gz AITQCPUKGCGNLI-AKHDSKFASA-N 2 1 436.553 -0.286 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158747420 1073185657 /nfs/dbraw/zinc/18/56/57/1073185657.db2.gz AITQCPUKGCGNLI-YRXWBPOGSA-N 2 1 436.553 -0.286 20 0 IBADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158857623 1073188835 /nfs/dbraw/zinc/18/88/35/1073188835.db2.gz VKIHNTZRHWFCSS-KSSFIOAISA-N 2 1 433.557 -0.411 20 0 IBADMP CC(C)N(C(=O)c1nnn2c1C[NH2+]CC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158885076 1073189606 /nfs/dbraw/zinc/18/96/06/1073189606.db2.gz SAMABTDQHQYKOS-UHFFFAOYSA-N 2 1 441.540 -0.249 20 0 IBADMP CC(C)N(C(=O)[C@@H](N)CSCC[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158885467 1073189729 /nfs/dbraw/zinc/18/97/29/1073189729.db2.gz VXWQARSGAZHBGH-INIZCTEOSA-N 2 1 437.614 -0.238 20 0 IBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001158890181 1073190160 /nfs/dbraw/zinc/19/01/60/1073190160.db2.gz BDGFECQJRRWFNO-INIZCTEOSA-N 2 1 431.541 -0.483 20 0 IBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158890412 1073190197 /nfs/dbraw/zinc/19/01/97/1073190197.db2.gz DGBHOUKOHKALJX-INIZCTEOSA-N 2 1 426.583 -0.396 20 0 IBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158890418 1073190113 /nfs/dbraw/zinc/19/01/13/1073190113.db2.gz DGBHOUKOHKALJX-MRXNPFEDSA-N 2 1 426.583 -0.396 20 0 IBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158890856 1073190096 /nfs/dbraw/zinc/19/00/96/1073190096.db2.gz OXEHZJYRKHIQAM-ROUUACIJSA-N 3 1 436.601 -0.363 20 0 IBADMP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990225 1073194525 /nfs/dbraw/zinc/19/45/25/1073194525.db2.gz BBLZYRKYAVFZQS-AEFFLSMTSA-N 2 1 434.541 -0.943 20 0 IBADMP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990226 1073194679 /nfs/dbraw/zinc/19/46/79/1073194679.db2.gz BBLZYRKYAVFZQS-FUHWJXTLSA-N 2 1 434.541 -0.943 20 0 IBADMP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990227 1073194510 /nfs/dbraw/zinc/19/45/10/1073194510.db2.gz BBLZYRKYAVFZQS-SJLPKXTDSA-N 2 1 434.541 -0.943 20 0 IBADMP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990228 1073194541 /nfs/dbraw/zinc/19/45/41/1073194541.db2.gz BBLZYRKYAVFZQS-WMZOPIPTSA-N 2 1 434.541 -0.943 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001159072140 1073196315 /nfs/dbraw/zinc/19/63/15/1073196315.db2.gz PVYNVHOGENSKDW-BDXSIMOUSA-N 2 1 444.536 -0.411 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001159072141 1073196459 /nfs/dbraw/zinc/19/64/59/1073196459.db2.gz PVYNVHOGENSKDW-ZJPYXAASSA-N 2 1 444.536 -0.411 20 0 IBADMP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078638 1073198296 /nfs/dbraw/zinc/19/82/96/1073198296.db2.gz XUBOZOALUXPXAI-LQWHRVPQSA-N 2 1 438.569 -0.306 20 0 IBADMP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078639 1073198850 /nfs/dbraw/zinc/19/88/50/1073198850.db2.gz XUBOZOALUXPXAI-OPYAIIAOSA-N 2 1 438.569 -0.306 20 0 IBADMP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078640 1073198902 /nfs/dbraw/zinc/19/89/02/1073198902.db2.gz XUBOZOALUXPXAI-UEXGIBASSA-N 2 1 438.569 -0.306 20 0 IBADMP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078641 1073198919 /nfs/dbraw/zinc/19/89/19/1073198919.db2.gz XUBOZOALUXPXAI-WFXMLNOXSA-N 2 1 438.569 -0.306 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123351 1073199799 /nfs/dbraw/zinc/19/97/99/1073199799.db2.gz IERDQNWMELUFPD-AVRDEDQJSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123351 1073199794 /nfs/dbraw/zinc/19/97/94/1073199794.db2.gz IERDQNWMELUFPD-AVRDEDQJSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123352 1073199880 /nfs/dbraw/zinc/19/98/80/1073199880.db2.gz IERDQNWMELUFPD-GCJKJVERSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123352 1073199871 /nfs/dbraw/zinc/19/98/71/1073199871.db2.gz IERDQNWMELUFPD-GCJKJVERSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123353 1073199991 /nfs/dbraw/zinc/19/99/91/1073199991.db2.gz IERDQNWMELUFPD-PGRDOPGGSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123353 1073199988 /nfs/dbraw/zinc/19/99/88/1073199988.db2.gz IERDQNWMELUFPD-PGRDOPGGSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123354 1073199917 /nfs/dbraw/zinc/19/99/17/1073199917.db2.gz IERDQNWMELUFPD-XMSQKQJNSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123354 1073199908 /nfs/dbraw/zinc/19/99/08/1073199908.db2.gz IERDQNWMELUFPD-XMSQKQJNSA-N 2 1 444.580 -0.179 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123951 1073200015 /nfs/dbraw/zinc/20/00/15/1073200015.db2.gz LCXBYZRDMIWYLS-DYESRHJHSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123951 1073200012 /nfs/dbraw/zinc/20/00/12/1073200012.db2.gz LCXBYZRDMIWYLS-DYESRHJHSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123952 1073199748 /nfs/dbraw/zinc/19/97/48/1073199748.db2.gz LCXBYZRDMIWYLS-LAUBAEHRSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123952 1073199744 /nfs/dbraw/zinc/19/97/44/1073199744.db2.gz LCXBYZRDMIWYLS-LAUBAEHRSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123953 1073199970 /nfs/dbraw/zinc/19/99/70/1073199970.db2.gz LCXBYZRDMIWYLS-UTKZUKDTSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123953 1073199965 /nfs/dbraw/zinc/19/99/65/1073199965.db2.gz LCXBYZRDMIWYLS-UTKZUKDTSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123954 1073199817 /nfs/dbraw/zinc/19/98/17/1073199817.db2.gz LCXBYZRDMIWYLS-UWJYYQICSA-N 2 1 445.568 -0.784 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1 ZINC001159123954 1073199813 /nfs/dbraw/zinc/19/98/13/1073199813.db2.gz LCXBYZRDMIWYLS-UWJYYQICSA-N 2 1 445.568 -0.784 20 0 IBADMP Cn1nnc2c1CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001159124684 1073200290 /nfs/dbraw/zinc/20/02/90/1073200290.db2.gz PYNZBALJGVCCMH-HKUYNNGSSA-N 2 1 434.589 -0.896 20 0 IBADMP Cn1nnc2c1CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124685 1073200488 /nfs/dbraw/zinc/20/04/88/1073200488.db2.gz PYNZBALJGVCCMH-IEBWSBKVSA-N 2 1 434.589 -0.896 20 0 IBADMP Cn1nnc2c1CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001159124686 1073200413 /nfs/dbraw/zinc/20/04/13/1073200413.db2.gz PYNZBALJGVCCMH-MJGOQNOKSA-N 2 1 434.589 -0.896 20 0 IBADMP Cn1nnc2c1CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124687 1073200270 /nfs/dbraw/zinc/20/02/70/1073200270.db2.gz PYNZBALJGVCCMH-PKOBYXMFSA-N 2 1 434.589 -0.896 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159127962 1073201248 /nfs/dbraw/zinc/20/12/48/1073201248.db2.gz WAXHISIFKWFFAF-JTAQYXEDSA-N 2 1 432.565 -0.006 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159127962 1073201241 /nfs/dbraw/zinc/20/12/41/1073201241.db2.gz WAXHISIFKWFFAF-JTAQYXEDSA-N 2 1 432.565 -0.006 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159127967 1073201465 /nfs/dbraw/zinc/20/14/65/1073201465.db2.gz WAXHISIFKWFFAF-SXWKCWPCSA-N 2 1 432.565 -0.006 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159127967 1073201462 /nfs/dbraw/zinc/20/14/62/1073201462.db2.gz WAXHISIFKWFFAF-SXWKCWPCSA-N 2 1 432.565 -0.006 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001159128410 1073201284 /nfs/dbraw/zinc/20/12/84/1073201284.db2.gz ZJESAZQAQMVAPK-NPPFBWRTSA-N 2 1 435.569 -0.584 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001159128410 1073201278 /nfs/dbraw/zinc/20/12/78/1073201278.db2.gz ZJESAZQAQMVAPK-NPPFBWRTSA-N 2 1 435.569 -0.584 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001159128411 1073201456 /nfs/dbraw/zinc/20/14/56/1073201456.db2.gz ZJESAZQAQMVAPK-SPEDKVCISA-N 2 1 435.569 -0.584 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC001159128411 1073201453 /nfs/dbraw/zinc/20/14/53/1073201453.db2.gz ZJESAZQAQMVAPK-SPEDKVCISA-N 2 1 435.569 -0.584 20 0 IBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159135393 1073201412 /nfs/dbraw/zinc/20/14/12/1073201412.db2.gz VUHAVWDCRUPCPE-KANFNMMFSA-N 2 1 428.537 -0.289 20 0 IBADMP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)O1 ZINC001159135923 1073201341 /nfs/dbraw/zinc/20/13/41/1073201341.db2.gz HOEYFCYWBJBLTH-MKXGPGLRSA-N 2 1 438.569 -0.308 20 0 IBADMP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)O1 ZINC001159135925 1073201439 /nfs/dbraw/zinc/20/14/39/1073201439.db2.gz HOEYFCYWBJBLTH-NCXUSEDFSA-N 2 1 438.569 -0.308 20 0 IBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159157925 1073202014 /nfs/dbraw/zinc/20/20/14/1073202014.db2.gz KEBLNSNHALGRON-SQNIBIBYSA-N 2 1 439.586 -0.800 20 0 IBADMP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159159144 1073201881 /nfs/dbraw/zinc/20/18/81/1073201881.db2.gz XEQBYGXQOBBIHB-HCXYKTFWSA-N 2 1 448.593 -0.244 20 0 IBADMP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159159145 1073201810 /nfs/dbraw/zinc/20/18/10/1073201810.db2.gz XEQBYGXQOBBIHB-XWSJACJDSA-N 2 1 448.593 -0.244 20 0 IBADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159166234 1073202451 /nfs/dbraw/zinc/20/24/51/1073202451.db2.gz JPMQZHYNQAULQE-HZEGPAAWSA-N 2 1 430.601 -0.270 20 0 IBADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159166234 1073202447 /nfs/dbraw/zinc/20/24/47/1073202447.db2.gz JPMQZHYNQAULQE-HZEGPAAWSA-N 2 1 430.601 -0.270 20 0 IBADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159166234 1073202443 /nfs/dbraw/zinc/20/24/43/1073202443.db2.gz JPMQZHYNQAULQE-HZEGPAAWSA-N 3 1 430.601 -0.270 20 0 IBADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159166235 1073202501 /nfs/dbraw/zinc/20/25/01/1073202501.db2.gz JPMQZHYNQAULQE-PMXSJFBMSA-N 2 1 430.601 -0.270 20 0 IBADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159166235 1073202497 /nfs/dbraw/zinc/20/24/97/1073202497.db2.gz JPMQZHYNQAULQE-PMXSJFBMSA-N 2 1 430.601 -0.270 20 0 IBADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159166235 1073202493 /nfs/dbraw/zinc/20/24/93/1073202493.db2.gz JPMQZHYNQAULQE-PMXSJFBMSA-N 3 1 430.601 -0.270 20 0 IBADMP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC3)C1=O ZINC001159180250 1073202883 /nfs/dbraw/zinc/20/28/83/1073202883.db2.gz BSKWQSPHVXJGLQ-FQEVSTJZSA-N 2 1 441.598 -0.940 20 0 IBADMP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC3)C1=O ZINC001159180251 1073202873 /nfs/dbraw/zinc/20/28/73/1073202873.db2.gz BSKWQSPHVXJGLQ-HXUWFJFHSA-N 2 1 441.598 -0.940 20 0 IBADMP CN1C[C@@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001159189143 1073203765 /nfs/dbraw/zinc/20/37/65/1073203765.db2.gz BBKNPUROMJTFFA-KRWDZBQOSA-N 2 1 434.541 -0.697 20 0 IBADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159189143 1073203759 /nfs/dbraw/zinc/20/37/59/1073203759.db2.gz BBKNPUROMJTFFA-KRWDZBQOSA-N 3 1 434.541 -0.697 20 0 IBADMP CN1C[C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001159189145 1073203829 /nfs/dbraw/zinc/20/38/29/1073203829.db2.gz BBKNPUROMJTFFA-QGZVFWFLSA-N 2 1 434.541 -0.697 20 0 IBADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159189145 1073203821 /nfs/dbraw/zinc/20/38/21/1073203821.db2.gz BBKNPUROMJTFFA-QGZVFWFLSA-N 3 1 434.541 -0.697 20 0 IBADMP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224005 1073207119 /nfs/dbraw/zinc/20/71/19/1073207119.db2.gz FHRRWCYAANQHJQ-AEFFLSMTSA-N 2 1 444.540 -0.511 20 0 IBADMP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224006 1073207246 /nfs/dbraw/zinc/20/72/46/1073207246.db2.gz FHRRWCYAANQHJQ-FUHWJXTLSA-N 2 1 444.540 -0.511 20 0 IBADMP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224009 1073207076 /nfs/dbraw/zinc/20/70/76/1073207076.db2.gz FHRRWCYAANQHJQ-SJLPKXTDSA-N 2 1 444.540 -0.511 20 0 IBADMP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224010 1073207015 /nfs/dbraw/zinc/20/70/15/1073207015.db2.gz FHRRWCYAANQHJQ-WMZOPIPTSA-N 2 1 444.540 -0.511 20 0 IBADMP Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H]2CCCO[C@@H]21 ZINC001159268990 1073207902 /nfs/dbraw/zinc/20/79/02/1073207902.db2.gz VHZQAAFENMWZDM-KVPLUYHFSA-N 2 1 445.564 -0.034 20 0 IBADMP Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H]2CCCO[C@@H]21 ZINC001159268991 1073207934 /nfs/dbraw/zinc/20/79/34/1073207934.db2.gz VHZQAAFENMWZDM-ONCXSQPRSA-N 2 1 445.564 -0.034 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCn3c(CNC(=O)c4ccno4)cnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159272754 1073208681 /nfs/dbraw/zinc/20/86/81/1073208681.db2.gz OBUGPPFSWZVULY-KRWDZBQOSA-N 2 1 443.508 -0.404 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCn3c(CNC(=O)c4ccno4)cnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159272755 1073208718 /nfs/dbraw/zinc/20/87/18/1073208718.db2.gz OBUGPPFSWZVULY-QGZVFWFLSA-N 2 1 443.508 -0.404 20 0 IBADMP CO[C@@H]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316922 1073209576 /nfs/dbraw/zinc/20/95/76/1073209576.db2.gz OXYPNOLEAKZWMZ-RCCFBDPRSA-N 2 1 425.555 -0.650 20 0 IBADMP O=C(c1[nH]nc2c1C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393391 1073210963 /nfs/dbraw/zinc/21/09/63/1073210963.db2.gz FACZITJIWFYLGH-GOEBONIOSA-N 2 1 443.533 -0.765 20 0 IBADMP CC1(C)C[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CO1 ZINC001159393925 1073211464 /nfs/dbraw/zinc/21/14/64/1073211464.db2.gz JCMZJTHJMLFTRX-HRCADAONSA-N 2 1 435.550 -0.415 20 0 IBADMP O=C(c1cc2n(n1)CC[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394599 1073211793 /nfs/dbraw/zinc/21/17/93/1073211793.db2.gz ORHPKQOMGLXYSI-DOTOQJQBSA-N 2 1 443.533 -0.834 20 0 IBADMP O=C(c1noc2c1C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394642 1073211828 /nfs/dbraw/zinc/21/18/28/1073211828.db2.gz PGPQHQJWJCOOMN-GOEBONIOSA-N 2 1 444.517 -0.500 20 0 IBADMP [NH3+][C@@H](Cc1cscn1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394785 1073211960 /nfs/dbraw/zinc/21/19/60/1073211960.db2.gz QVOGXUFVHOLEME-HRCADAONSA-N 2 1 448.574 -0.156 20 0 IBADMP O=C(c1cnn2c1C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394932 1073212006 /nfs/dbraw/zinc/21/20/06/1073212006.db2.gz STPUMFFLNABJAS-DOTOQJQBSA-N 2 1 443.533 -0.834 20 0 IBADMP CC(C)(C)OC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394998 1073211878 /nfs/dbraw/zinc/21/18/78/1073211878.db2.gz UDUIKZKONRYLJC-HRCADAONSA-N 2 1 437.566 -0.040 20 0 IBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395028 1073211995 /nfs/dbraw/zinc/21/19/95/1073211995.db2.gz ULOWTCQXBJUZDF-ARFHVFGLSA-N 2 1 431.522 -0.889 20 0 IBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395032 1073211903 /nfs/dbraw/zinc/21/19/03/1073211903.db2.gz ULOWTCQXBJUZDF-HRCADAONSA-N 2 1 431.522 -0.889 20 0 IBADMP [NH3+]Cc1ncc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)s1 ZINC001159395232 1073212342 /nfs/dbraw/zinc/21/23/42/1073212342.db2.gz VJZNZTJVKBOPMW-GXTWGEPZSA-N 2 1 434.547 -0.219 20 0 IBADMP O=C(c1n[nH]c2c1C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395285 1073212266 /nfs/dbraw/zinc/21/22/66/1073212266.db2.gz WIMXLSSPMPESGP-DZGCQCFKSA-N 2 1 429.506 -0.808 20 0 IBADMP O=C(c1ncn2c1C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395794 1073212408 /nfs/dbraw/zinc/21/24/08/1073212408.db2.gz ZUEJRKSMNLIZEK-GOEBONIOSA-N 2 1 443.533 -0.834 20 0 IBADMP N[C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1CC[NH2+]CC1 ZINC001159395795 1073212426 /nfs/dbraw/zinc/21/24/26/1073212426.db2.gz ZUPNIPNLHLWSRL-BBWFWOEESA-N 2 1 434.566 -0.855 20 0 IBADMP N[C@@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1CC[NH2+]CC1 ZINC001159395797 1073212912 /nfs/dbraw/zinc/21/29/12/1073212912.db2.gz ZUPNIPNLHLWSRL-GVDBMIGSSA-N 2 1 434.566 -0.855 20 0 IBADMP C[NH+]1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)cn2)CC1 ZINC001159398592 1073212762 /nfs/dbraw/zinc/21/27/62/1073212762.db2.gz XJUJYNVECPRECZ-DZGCQCFKSA-N 2 1 433.948 -0.479 20 0 IBADMP C[NH+]1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)cn2)CC1 ZINC001159398594 1073212826 /nfs/dbraw/zinc/21/28/26/1073212826.db2.gz XJUJYNVECPRECZ-HIFRSBDPSA-N 2 1 433.948 -0.479 20 0 IBADMP C[NH+]1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)cn2)CC1 ZINC001159398597 1073212852 /nfs/dbraw/zinc/21/28/52/1073212852.db2.gz XJUJYNVECPRECZ-UKRRQHHQSA-N 2 1 433.948 -0.479 20 0 IBADMP C[NH+]1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)cn2)CC1 ZINC001159398598 1073212740 /nfs/dbraw/zinc/21/27/40/1073212740.db2.gz XJUJYNVECPRECZ-ZFWWWQNUSA-N 2 1 433.948 -0.479 20 0 IBADMP CN1C[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)OC2(CC[NH2+]CC2)C1 ZINC001159404358 1073213371 /nfs/dbraw/zinc/21/33/71/1073213371.db2.gz ZWGQTCWKDJEOOF-INDMIFKZSA-N 2 1 430.553 -0.113 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)OC2(CC[NH2+]CC2)C1 ZINC001159404358 1073213362 /nfs/dbraw/zinc/21/33/62/1073213362.db2.gz ZWGQTCWKDJEOOF-INDMIFKZSA-N 3 1 430.553 -0.113 20 0 IBADMP CN1C[C@@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)OC2(CC[NH2+]CC2)C1 ZINC001159404359 1073213338 /nfs/dbraw/zinc/21/33/38/1073213338.db2.gz ZWGQTCWKDJEOOF-OKYOBFRVSA-N 2 1 430.553 -0.113 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)OC2(CC[NH2+]CC2)C1 ZINC001159404359 1073213333 /nfs/dbraw/zinc/21/33/33/1073213333.db2.gz ZWGQTCWKDJEOOF-OKYOBFRVSA-N 3 1 430.553 -0.113 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001159411830 1073213751 /nfs/dbraw/zinc/21/37/51/1073213751.db2.gz KIAUKTUZYZSNEY-YJBOKZPZSA-N 2 1 430.553 -0.008 20 0 IBADMP CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417176 1073213713 /nfs/dbraw/zinc/21/37/13/1073213713.db2.gz LQONEWJQCPIGQO-IBGZPJMESA-N 2 1 431.585 -0.575 20 0 IBADMP CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417176 1073213709 /nfs/dbraw/zinc/21/37/09/1073213709.db2.gz LQONEWJQCPIGQO-IBGZPJMESA-N 2 1 431.585 -0.575 20 0 IBADMP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417176 1073213701 /nfs/dbraw/zinc/21/37/01/1073213701.db2.gz LQONEWJQCPIGQO-IBGZPJMESA-N 3 1 431.585 -0.575 20 0 IBADMP CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417177 1073213685 /nfs/dbraw/zinc/21/36/85/1073213685.db2.gz LQONEWJQCPIGQO-LJQANCHMSA-N 2 1 431.585 -0.575 20 0 IBADMP CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417177 1073213678 /nfs/dbraw/zinc/21/36/78/1073213678.db2.gz LQONEWJQCPIGQO-LJQANCHMSA-N 2 1 431.585 -0.575 20 0 IBADMP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[N@@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417177 1073213674 /nfs/dbraw/zinc/21/36/74/1073213674.db2.gz LQONEWJQCPIGQO-LJQANCHMSA-N 3 1 431.585 -0.575 20 0 IBADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2CCCO[C@H]12 ZINC001159426253 1073214239 /nfs/dbraw/zinc/21/42/39/1073214239.db2.gz XMFYUIHYIIEFPI-LMMKCTJWSA-N 2 1 425.555 -0.508 20 0 IBADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2CCCO[C@H]12 ZINC001159426253 1073214237 /nfs/dbraw/zinc/21/42/37/1073214237.db2.gz XMFYUIHYIIEFPI-LMMKCTJWSA-N 2 1 425.555 -0.508 20 0 IBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2 ZINC001159481006 1073218232 /nfs/dbraw/zinc/21/82/32/1073218232.db2.gz GZHZVNYCJXFEQN-INIZCTEOSA-N 2 1 437.566 -0.408 20 0 IBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2 ZINC001159481009 1073218152 /nfs/dbraw/zinc/21/81/52/1073218152.db2.gz GZHZVNYCJXFEQN-MRXNPFEDSA-N 2 1 437.566 -0.408 20 0 IBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCC2 ZINC001159481362 1073218535 /nfs/dbraw/zinc/21/85/35/1073218535.db2.gz MHTSUDICFPWYQQ-UHFFFAOYSA-N 2 1 428.559 -0.964 20 0 IBADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159481416 1073218623 /nfs/dbraw/zinc/21/86/23/1073218623.db2.gz OQFKTJMWMZNOHM-QYUDBREXSA-N 2 1 449.596 -0.352 20 0 IBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CCC2 ZINC001159481489 1073218651 /nfs/dbraw/zinc/21/86/51/1073218651.db2.gz RGUYQLXBPZJDRW-KRWDZBQOSA-N 2 1 430.553 -0.068 20 0 IBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CCC2 ZINC001159481490 1073218426 /nfs/dbraw/zinc/21/84/26/1073218426.db2.gz RGUYQLXBPZJDRW-QGZVFWFLSA-N 2 1 430.553 -0.068 20 0 IBADMP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493253 1073219450 /nfs/dbraw/zinc/21/94/50/1073219450.db2.gz RMZUFSZHFCOGJH-DYESRHJHSA-N 2 1 435.569 -0.632 20 0 IBADMP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493258 1073219377 /nfs/dbraw/zinc/21/93/77/1073219377.db2.gz RMZUFSZHFCOGJH-LAUBAEHRSA-N 2 1 435.569 -0.632 20 0 IBADMP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493260 1073219318 /nfs/dbraw/zinc/21/93/18/1073219318.db2.gz RMZUFSZHFCOGJH-UTKZUKDTSA-N 2 1 435.569 -0.632 20 0 IBADMP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493262 1073219534 /nfs/dbraw/zinc/21/95/34/1073219534.db2.gz RMZUFSZHFCOGJH-UWJYYQICSA-N 2 1 435.569 -0.632 20 0 IBADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC[C@@H]21 ZINC001159532969 1073222481 /nfs/dbraw/zinc/22/24/81/1073222481.db2.gz CHYJIRYCTWEBJC-SQNIBIBYSA-N 2 1 426.587 -0.197 20 0 IBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534237 1073222542 /nfs/dbraw/zinc/22/25/42/1073222542.db2.gz NQIUSMMQILQIHE-URVUXULASA-N 2 1 448.589 -0.045 20 0 IBADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]21 ZINC001159534751 1073223042 /nfs/dbraw/zinc/22/30/42/1073223042.db2.gz QHUDWIDEMJLJSU-APAFKAMOSA-N 2 1 447.584 -0.320 20 0 IBADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]21 ZINC001159535701 1073222822 /nfs/dbraw/zinc/22/28/22/1073222822.db2.gz ZURZBOKZKWNQCC-ADHGMGHFSA-N 2 1 433.557 -0.710 20 0 IBADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583304 1073224346 /nfs/dbraw/zinc/22/43/46/1073224346.db2.gz RGTREOBTUXCJQP-GOSISDBHSA-N 2 1 428.585 -0.032 20 0 IBADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583305 1073224291 /nfs/dbraw/zinc/22/42/91/1073224291.db2.gz RGTREOBTUXCJQP-SFHVURJKSA-N 2 1 428.585 -0.032 20 0 IBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]2C1 ZINC001159635354 1073228230 /nfs/dbraw/zinc/22/82/30/1073228230.db2.gz LWULMKZKLORZRO-FUMNGEBKSA-N 3 1 439.601 -0.371 20 0 IBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)CC[C@@H]2C1 ZINC001159635600 1073228173 /nfs/dbraw/zinc/22/81/73/1073228173.db2.gz PFNCPSXZNQEROB-ZIFCJYIRSA-N 2 1 434.541 -0.490 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635613 1073228026 /nfs/dbraw/zinc/22/80/26/1073228026.db2.gz PFYXLHDHGOMUJV-GOSISDBHSA-N 2 1 441.536 -0.327 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635618 1073228143 /nfs/dbraw/zinc/22/81/43/1073228143.db2.gz PFYXLHDHGOMUJV-SFHVURJKSA-N 2 1 441.536 -0.327 20 0 IBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC[C@@H]2C1 ZINC001159636631 1073228270 /nfs/dbraw/zinc/22/82/70/1073228270.db2.gz VXHUZDXIXYATDV-FGTMMUONSA-N 2 1 429.583 -0.404 20 0 IBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC[C@@H]2C1 ZINC001159636632 1073228244 /nfs/dbraw/zinc/22/82/44/1073228244.db2.gz VXHUZDXIXYATDV-KZNAEPCWSA-N 2 1 429.583 -0.404 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)OC2(CC[NH2+]CC2)C1 ZINC001159653961 1073229950 /nfs/dbraw/zinc/22/99/50/1073229950.db2.gz HTLBZUDTHRZUFQ-GOSISDBHSA-N 2 1 444.536 -0.346 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)OC2(CC[NH2+]CC2)C1 ZINC001159653963 1073229908 /nfs/dbraw/zinc/22/99/08/1073229908.db2.gz HTLBZUDTHRZUFQ-SFHVURJKSA-N 2 1 444.536 -0.346 20 0 IBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664536 1073230334 /nfs/dbraw/zinc/23/03/34/1073230334.db2.gz FSVMKFCRSVTUQN-FHWLQOOXSA-N 2 1 438.536 -0.179 20 0 IBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664538 1073230282 /nfs/dbraw/zinc/23/02/82/1073230282.db2.gz FSVMKFCRSVTUQN-OTWHNJEPSA-N 2 1 438.536 -0.179 20 0 IBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664540 1073230422 /nfs/dbraw/zinc/23/04/22/1073230422.db2.gz FSVMKFCRSVTUQN-QRVBRYPASA-N 2 1 438.536 -0.179 20 0 IBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664543 1073230261 /nfs/dbraw/zinc/23/02/61/1073230261.db2.gz FSVMKFCRSVTUQN-QYZOEREBSA-N 2 1 438.536 -0.179 20 0 IBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CNC(=O)C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759125 1073233874 /nfs/dbraw/zinc/23/38/74/1073233874.db2.gz YNZHJWZJXHZOHC-WOIUINJBSA-N 2 1 433.597 -0.110 20 0 IBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759126 1073233917 /nfs/dbraw/zinc/23/39/17/1073233917.db2.gz YNZHJWZJXHZOHC-XQBPLPMBSA-N 2 1 433.597 -0.110 20 0 IBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790658 1073234810 /nfs/dbraw/zinc/23/48/10/1073234810.db2.gz JYTRWZKYTCLZSZ-UHFFFAOYSA-N 2 1 428.493 -0.160 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)C(N)=O ZINC001159856093 1073236758 /nfs/dbraw/zinc/23/67/58/1073236758.db2.gz RNDATIGRMZBATD-OXXUSNJHSA-N 2 1 435.500 -0.413 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)C(N)=O ZINC001159856096 1073236703 /nfs/dbraw/zinc/23/67/03/1073236703.db2.gz RNDATIGRMZBATD-PAYONLEZSA-N 2 1 435.500 -0.413 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)C(N)=O ZINC001159856099 1073236783 /nfs/dbraw/zinc/23/67/83/1073236783.db2.gz RNDATIGRMZBATD-QXRTWZOPSA-N 2 1 435.500 -0.413 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)C(N)=O ZINC001159856101 1073236614 /nfs/dbraw/zinc/23/66/14/1073236614.db2.gz RNDATIGRMZBATD-UNQWWWNPSA-N 2 1 435.500 -0.413 20 0 IBADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888491 1073237607 /nfs/dbraw/zinc/23/76/07/1073237607.db2.gz PRHDSNITHKURQH-QOKNQOGYSA-N 2 1 425.480 -0.034 20 0 IBADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888492 1073237535 /nfs/dbraw/zinc/23/75/35/1073237535.db2.gz PRHDSNITHKURQH-URLQWDBASA-N 2 1 425.480 -0.034 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)C(N)=O ZINC001160053226 1073242393 /nfs/dbraw/zinc/24/23/93/1073242393.db2.gz QEJPEXXUZHUPLV-FUHWJXTLSA-N 2 1 430.553 -0.006 20 0 IBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160059376 1073242222 /nfs/dbraw/zinc/24/22/22/1073242222.db2.gz PGTGGJBYZAGTTB-INIZCTEOSA-N 2 1 434.508 -0.148 20 0 IBADMP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160059377 1073242370 /nfs/dbraw/zinc/24/23/70/1073242370.db2.gz PGTGGJBYZAGTTB-MRXNPFEDSA-N 2 1 434.508 -0.148 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1)C(N)=O ZINC001160065414 1073242767 /nfs/dbraw/zinc/24/27/67/1073242767.db2.gz JHIVJVGFHBGVJE-DZGCQCFKSA-N 2 1 428.497 -0.988 20 0 IBADMP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H]2COC[C@H]12 ZINC001160084344 1073242943 /nfs/dbraw/zinc/24/29/43/1073242943.db2.gz DNVOXCYWZNTSTF-PSBWJHGTSA-N 2 1 431.537 -0.567 20 0 IBADMP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H]2COC[C@H]12 ZINC001160084348 1073242864 /nfs/dbraw/zinc/24/28/64/1073242864.db2.gz DNVOXCYWZNTSTF-RWQQGDIJSA-N 2 1 431.537 -0.567 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)cc(C4CC[NH2+]CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086168 1073243686 /nfs/dbraw/zinc/24/36/86/1073243686.db2.gz CSKDBGIPSNMJKE-RAEVTNRLSA-N 2 1 437.888 -0.691 20 0 IBADMP C[NH+]1CCC(Oc2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)CC1 ZINC001160092360 1073245827 /nfs/dbraw/zinc/24/58/27/1073245827.db2.gz DPDBHTMQQRVLGP-UTRMSSBJSA-N 2 1 432.481 -0.733 20 0 IBADMP CCOC(=O)c1c[nH]c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)[nH+]cc21 ZINC001160092824 1073246226 /nfs/dbraw/zinc/24/62/26/1073246226.db2.gz MODDQLDSOYFCEN-BASLNEPJSA-N 2 1 430.421 -0.548 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc(OCC[NH+]4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093008 1073246294 /nfs/dbraw/zinc/24/62/94/1073246294.db2.gz PYHJBVVJIWSUFU-BYNBJNPRSA-N 2 1 432.481 -0.566 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(OCC4CC[NH2+]CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160094855 1073247223 /nfs/dbraw/zinc/24/72/23/1073247223.db2.gz ZIYUXIYVKBOAOI-UTRMSSBJSA-N 2 1 432.481 -0.828 20 0 IBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155057 1073248246 /nfs/dbraw/zinc/24/82/46/1073248246.db2.gz DHKHZAXORPLKGY-YRPNKDGESA-N 2 1 432.521 -0.939 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155559 1073248301 /nfs/dbraw/zinc/24/83/01/1073248301.db2.gz JEIGACKNMFTVRS-YRPNKDGESA-N 2 1 449.596 -0.293 20 0 IBADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174234 1073249338 /nfs/dbraw/zinc/24/93/38/1073249338.db2.gz RYVSQXIXBFWWSP-AUSIDOKSSA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174234 1073249331 /nfs/dbraw/zinc/24/93/31/1073249331.db2.gz RYVSQXIXBFWWSP-AUSIDOKSSA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174235 1073249257 /nfs/dbraw/zinc/24/92/57/1073249257.db2.gz RYVSQXIXBFWWSP-CVDCTZTESA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174235 1073249250 /nfs/dbraw/zinc/24/92/50/1073249250.db2.gz RYVSQXIXBFWWSP-CVDCTZTESA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174236 1073249175 /nfs/dbraw/zinc/24/91/75/1073249175.db2.gz RYVSQXIXBFWWSP-WMZHIEFXSA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174236 1073249167 /nfs/dbraw/zinc/24/91/67/1073249167.db2.gz RYVSQXIXBFWWSP-WMZHIEFXSA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174237 1073249218 /nfs/dbraw/zinc/24/92/18/1073249218.db2.gz RYVSQXIXBFWWSP-XXBNENTESA-N 2 1 425.533 -0.343 20 0 IBADMP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174237 1073249211 /nfs/dbraw/zinc/24/92/11/1073249211.db2.gz RYVSQXIXBFWWSP-XXBNENTESA-N 2 1 425.533 -0.343 20 0 IBADMP CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001160190564 1073249103 /nfs/dbraw/zinc/24/91/03/1073249103.db2.gz CCUMPYCOEFNPPV-AVRDEDQJSA-N 2 1 449.596 -0.195 20 0 IBADMP CC(C)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001160190565 1073249293 /nfs/dbraw/zinc/24/92/93/1073249293.db2.gz CCUMPYCOEFNPPV-GCJKJVERSA-N 2 1 449.596 -0.195 20 0 IBADMP CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001160190566 1073249229 /nfs/dbraw/zinc/24/92/29/1073249229.db2.gz CCUMPYCOEFNPPV-PGRDOPGGSA-N 2 1 449.596 -0.195 20 0 IBADMP CC(C)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001160190567 1073249320 /nfs/dbraw/zinc/24/93/20/1073249320.db2.gz CCUMPYCOEFNPPV-XMSQKQJNSA-N 2 1 449.596 -0.195 20 0 IBADMP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H]2CCCO[C@@H]21 ZINC001160213079 1073250681 /nfs/dbraw/zinc/25/06/81/1073250681.db2.gz RVSXPFNORWXIJI-BSDSXHPESA-N 2 1 446.552 -0.639 20 0 IBADMP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H]2CCCO[C@@H]21 ZINC001160213080 1073250649 /nfs/dbraw/zinc/25/06/49/1073250649.db2.gz RVSXPFNORWXIJI-XWTMOSNGSA-N 2 1 446.552 -0.639 20 0 IBADMP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160266406 1073251922 /nfs/dbraw/zinc/25/19/22/1073251922.db2.gz KEPCADXRCYEEGG-IBGZPJMESA-N 2 1 445.564 -0.684 20 0 IBADMP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160266408 1073251965 /nfs/dbraw/zinc/25/19/65/1073251965.db2.gz KEPCADXRCYEEGG-LJQANCHMSA-N 2 1 445.564 -0.684 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342843 1073254188 /nfs/dbraw/zinc/25/41/88/1073254188.db2.gz DKDWDVQSVZPQQG-AVRDEDQJSA-N 2 1 446.552 -0.636 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342844 1073254134 /nfs/dbraw/zinc/25/41/34/1073254134.db2.gz DKDWDVQSVZPQQG-GCJKJVERSA-N 2 1 446.552 -0.636 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342845 1073254270 /nfs/dbraw/zinc/25/42/70/1073254270.db2.gz DKDWDVQSVZPQQG-PGRDOPGGSA-N 2 1 446.552 -0.636 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342846 1073254287 /nfs/dbraw/zinc/25/42/87/1073254287.db2.gz DKDWDVQSVZPQQG-XMSQKQJNSA-N 2 1 446.552 -0.636 20 0 IBADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1CCC[N@H+](C3CC[NH2+]CC3)C1)C2 ZINC001160381499 1073256780 /nfs/dbraw/zinc/25/67/80/1073256780.db2.gz VWRMTTIMQCIBHD-INIZCTEOSA-N 2 1 433.557 -0.311 20 0 IBADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCC[N@H+](C3CC[NH2+]CC3)C1)C2 ZINC001160381500 1073256804 /nfs/dbraw/zinc/25/68/04/1073256804.db2.gz VWRMTTIMQCIBHD-MRXNPFEDSA-N 2 1 433.557 -0.311 20 0 IBADMP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001160381747 1073257390 /nfs/dbraw/zinc/25/73/90/1073257390.db2.gz ZBRLAGWNYHQLDA-HOTGVXAUSA-N 2 1 448.572 -0.695 20 0 IBADMP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400693 1073258468 /nfs/dbraw/zinc/25/84/68/1073258468.db2.gz BRPRWGRRKOQVJE-WJFTUGDTSA-N 2 1 446.552 -0.639 20 0 IBADMP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160400694 1073258308 /nfs/dbraw/zinc/25/83/08/1073258308.db2.gz BRPRWGRRKOQVJE-ZSYWTGECSA-N 2 1 446.552 -0.639 20 0 IBADMP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418708 1073260920 /nfs/dbraw/zinc/26/09/20/1073260920.db2.gz MLDWTRHWZJWNOR-AVRDEDQJSA-N 2 1 438.569 -0.448 20 0 IBADMP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418709 1073260979 /nfs/dbraw/zinc/26/09/79/1073260979.db2.gz MLDWTRHWZJWNOR-GCJKJVERSA-N 2 1 438.569 -0.448 20 0 IBADMP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418710 1073260845 /nfs/dbraw/zinc/26/08/45/1073260845.db2.gz MLDWTRHWZJWNOR-PGRDOPGGSA-N 2 1 438.569 -0.448 20 0 IBADMP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418711 1073260867 /nfs/dbraw/zinc/26/08/67/1073260867.db2.gz MLDWTRHWZJWNOR-XMSQKQJNSA-N 2 1 438.569 -0.448 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421154 1073261650 /nfs/dbraw/zinc/26/16/50/1073261650.db2.gz ATPKGZNCXCLMGT-AEIBSFOJSA-N 2 1 430.553 -0.152 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421156 1073261679 /nfs/dbraw/zinc/26/16/79/1073261679.db2.gz ATPKGZNCXCLMGT-FQQAFBJJSA-N 2 1 430.553 -0.152 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421158 1073261470 /nfs/dbraw/zinc/26/14/70/1073261470.db2.gz ATPKGZNCXCLMGT-NXJYUQPGSA-N 2 1 430.553 -0.152 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421160 1073261598 /nfs/dbraw/zinc/26/15/98/1073261598.db2.gz ATPKGZNCXCLMGT-PLOWYNNNSA-N 2 1 430.553 -0.152 20 0 IBADMP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)CC2)n1 ZINC001160428706 1073261702 /nfs/dbraw/zinc/26/17/02/1073261702.db2.gz LEMGPGTXWQYPQH-INIZCTEOSA-N 2 1 434.541 -0.409 20 0 IBADMP COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)CC2)n1 ZINC001160428707 1073261528 /nfs/dbraw/zinc/26/15/28/1073261528.db2.gz LEMGPGTXWQYPQH-MRXNPFEDSA-N 2 1 434.541 -0.409 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470246 1073262956 /nfs/dbraw/zinc/26/29/56/1073262956.db2.gz JFPBMUJYRFAEKO-PMACEKPBSA-N 2 1 444.532 -0.050 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470248 1073262888 /nfs/dbraw/zinc/26/28/88/1073262888.db2.gz JFPBMUJYRFAEKO-UXHICEINSA-N 2 1 444.532 -0.050 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470251 1073262936 /nfs/dbraw/zinc/26/29/36/1073262936.db2.gz JFPBMUJYRFAEKO-VQTJNVASSA-N 2 1 444.532 -0.050 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470253 1073262846 /nfs/dbraw/zinc/26/28/46/1073262846.db2.gz JFPBMUJYRFAEKO-WOJBJXKFSA-N 2 1 444.532 -0.050 20 0 IBADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160630136 1073266940 /nfs/dbraw/zinc/26/69/40/1073266940.db2.gz VZXHWPAYIISFCB-PMACEKPBSA-N 2 1 437.585 -0.529 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703840 1073269785 /nfs/dbraw/zinc/26/97/85/1073269785.db2.gz FVJWUJOTLHJQSV-JTJHWIPRSA-N 2 1 429.565 -0.167 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160825669 1073272080 /nfs/dbraw/zinc/27/20/80/1073272080.db2.gz HRQBIYSUBSPCGH-ROUUACIJSA-N 2 1 445.568 -0.289 20 0 IBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160838704 1073272069 /nfs/dbraw/zinc/27/20/69/1073272069.db2.gz LPCIFUDOKDHXCQ-INIZCTEOSA-N 2 1 438.540 -0.337 20 0 IBADMP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160838707 1073272117 /nfs/dbraw/zinc/27/21/17/1073272117.db2.gz LPCIFUDOKDHXCQ-MRXNPFEDSA-N 2 1 438.540 -0.337 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160895241 1073272971 /nfs/dbraw/zinc/27/29/71/1073272971.db2.gz WSHSKLDATZUDBT-NRFANRHFSA-N 2 1 443.592 -0.058 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160895246 1073273097 /nfs/dbraw/zinc/27/30/97/1073273097.db2.gz WSHSKLDATZUDBT-OAQYLSRUSA-N 2 1 443.592 -0.058 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C1)C(N)=O ZINC001160958959 1073273658 /nfs/dbraw/zinc/27/36/58/1073273658.db2.gz KHCXCQIHYVBOIK-CLWVCHIJSA-N 2 1 444.540 -0.271 20 0 IBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C)[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C1 ZINC001160959580 1073273739 /nfs/dbraw/zinc/27/37/39/1073273739.db2.gz VOQSXPPSRWWTMG-DHMWGJHJSA-N 2 1 430.513 -0.662 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1)C(=O)CF ZINC001161050397 1073275985 /nfs/dbraw/zinc/27/59/85/1073275985.db2.gz MTCJXKSOIKNJLG-FPXQBCRKSA-N 2 1 443.564 -0.171 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1)C(=O)CF ZINC001161050403 1073275964 /nfs/dbraw/zinc/27/59/64/1073275964.db2.gz MTCJXKSOIKNJLG-RCJHGTSTSA-N 2 1 443.564 -0.171 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C)C(=O)CF ZINC001161083341 1073276892 /nfs/dbraw/zinc/27/68/92/1073276892.db2.gz TUWMKMJDJPVYLU-GMHRPJKWSA-N 2 1 441.548 -0.560 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1)C(=O)CF ZINC001161083353 1073276822 /nfs/dbraw/zinc/27/68/22/1073276822.db2.gz TUWMKMJDJPVYLU-SPCJURDBSA-N 2 1 441.548 -0.560 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1)C(=O)CF ZINC001161083358 1073276739 /nfs/dbraw/zinc/27/67/39/1073276739.db2.gz TUWMKMJDJPVYLU-WPECMILSSA-N 2 1 441.548 -0.560 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1)C(=O)CF ZINC001161083362 1073276932 /nfs/dbraw/zinc/27/69/32/1073276932.db2.gz TUWMKMJDJPVYLU-ZAHIEGGZSA-N 2 1 441.548 -0.560 20 0 IBADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117351 1073276844 /nfs/dbraw/zinc/27/68/44/1073276844.db2.gz HPLKCCLXTGGDGB-JYJNAYRXSA-N 2 1 425.484 -0.978 20 0 IBADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117352 1073276914 /nfs/dbraw/zinc/27/69/14/1073276914.db2.gz HPLKCCLXTGGDGB-XHSDSOJGSA-N 2 1 425.484 -0.978 20 0 IBADMP C[NH+]1CCN(CCC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161118936 1073277683 /nfs/dbraw/zinc/27/76/83/1073277683.db2.gz JUPZCCRBJAKYQP-ROUUACIJSA-N 2 1 442.555 -0.634 20 0 IBADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119269 1073277667 /nfs/dbraw/zinc/27/76/67/1073277667.db2.gz ONDXFHWSMLTBAG-IRXDYDNUSA-N 3 1 428.528 -0.930 20 0 IBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119915 1073278027 /nfs/dbraw/zinc/27/80/27/1073278027.db2.gz UIILPZUZOYJYLM-KKUMJFAQSA-N 2 1 431.484 -0.991 20 0 IBADMP [NH3+]Cc1ncc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)s1 ZINC001161122259 1073277992 /nfs/dbraw/zinc/27/79/92/1073277992.db2.gz LPPCYHXGDUERNW-STQMWFEESA-N 2 1 428.509 -0.042 20 0 IBADMP CC1(C)C[NH2+][C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CO1 ZINC001161124542 1073279167 /nfs/dbraw/zinc/27/91/67/1073279167.db2.gz YTNIEAHYSSTZGO-JYJNAYRXSA-N 2 1 429.512 -0.504 20 0 IBADMP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cc4n(n3)CC[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124705 1073279365 /nfs/dbraw/zinc/27/93/65/1073279365.db2.gz UFWKKWOWIRMFLI-HOCLYGCPSA-N 2 1 437.495 -0.658 20 0 IBADMP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cnn4c3C[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161125071 1073279151 /nfs/dbraw/zinc/27/91/51/1073279151.db2.gz VSOZKPHHOJQLTO-HOCLYGCPSA-N 2 1 437.495 -0.658 20 0 IBADMP Cn1nc2c(c1C(=O)N1CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC1)C[NH2+]C2 ZINC001161129461 1073279341 /nfs/dbraw/zinc/27/93/41/1073279341.db2.gz FYHDLXVOAJIPAW-ZFWWWQNUSA-N 2 1 437.495 -0.621 20 0 IBADMP COC(=O)[C@H](CCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)NC(C)=O ZINC001161196306 1073282096 /nfs/dbraw/zinc/28/20/96/1073282096.db2.gz CKBXQBLEVPTHRT-IBGZPJMESA-N 2 1 426.558 -0.005 20 0 IBADMP O=C(CCC(=O)N1CCNC(=O)CC1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196937 1073282430 /nfs/dbraw/zinc/28/24/30/1073282430.db2.gz VAVGHXMVKASRBY-UHFFFAOYSA-N 2 1 437.585 -0.334 20 0 IBADMP CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197708 1073282508 /nfs/dbraw/zinc/28/25/08/1073282508.db2.gz CSBNGCXWOHDPPK-IAGOWNOFSA-N 2 1 426.558 -0.007 20 0 IBADMP CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197771 1073282533 /nfs/dbraw/zinc/28/25/33/1073282533.db2.gz DXCVFTORDDDBAW-KRWDZBQOSA-N 2 1 427.546 -0.473 20 0 IBADMP Nc1nc2c(ncn2CC(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)c(=O)[nH]1 ZINC001161198253 1073282398 /nfs/dbraw/zinc/28/23/98/1073282398.db2.gz ORTXXBWJIITBQA-UHFFFAOYSA-N 2 1 432.529 -0.335 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380568 1073285244 /nfs/dbraw/zinc/28/52/44/1073285244.db2.gz KVBACTJWTZIQFV-FHWLQOOXSA-N 3 1 436.601 -0.591 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380573 1073285268 /nfs/dbraw/zinc/28/52/68/1073285268.db2.gz KVBACTJWTZIQFV-QYZOEREBSA-N 3 1 436.601 -0.591 20 0 IBADMP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ncccc1C[NH+]1CCCC1 ZINC001161485500 1073287914 /nfs/dbraw/zinc/28/79/14/1073287914.db2.gz KKXGTTQKGWVXBO-RRFJBIMHSA-N 2 1 426.481 -0.238 20 0 IBADMP C[N@@H+](Cc1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1)C1CC1 ZINC001161485966 1073288429 /nfs/dbraw/zinc/28/84/29/1073288429.db2.gz UUTWTFFRFWERHZ-SQWLQELKSA-N 2 1 426.481 -0.239 20 0 IBADMP C[N@H+](Cc1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1)C1CC1 ZINC001161485966 1073288424 /nfs/dbraw/zinc/28/84/24/1073288424.db2.gz UUTWTFFRFWERHZ-SQWLQELKSA-N 2 1 426.481 -0.239 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161501042 1073288929 /nfs/dbraw/zinc/28/89/29/1073288929.db2.gz XCQHSQYNFUSDFG-CAMMJAKZSA-N 2 1 437.585 -0.213 20 0 IBADMP C[N@H+]1CCc2nc(Cl)nc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)c2C1 ZINC001162857442 1073301334 /nfs/dbraw/zinc/30/13/34/1073301334.db2.gz SOAIURYLZIOIIT-ZFWWWQNUSA-N 2 1 432.916 -0.350 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc[nH+]c(N)n1)C(N)=O ZINC001162858357 1073301313 /nfs/dbraw/zinc/30/13/13/1073301313.db2.gz CEOBXEAQTVSYNE-DZKIICNBSA-N 2 1 434.545 -0.415 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc(N)[nH+]cn1)C(N)=O ZINC001162858604 1073301279 /nfs/dbraw/zinc/30/12/79/1073301279.db2.gz KGXUVBUCOOCIBN-ZQIUZPCESA-N 2 1 434.545 -0.415 20 0 IBADMP COC(=O)[C@H](CCCCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1)NC(=O)CNC(C)=O ZINC001163452627 1073305128 /nfs/dbraw/zinc/30/51/28/1073305128.db2.gz YQWCVLKXOZOBMC-INIZCTEOSA-N 2 1 435.529 -0.220 20 0 IBADMP COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC001163461143 1073305486 /nfs/dbraw/zinc/30/54/86/1073305486.db2.gz BXZGAOLHPOZODP-KRWDZBQOSA-N 2 1 443.508 -0.135 20 0 IBADMP COC(=O)c1ccc([C@H]([NH3+])CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC001163461144 1073305646 /nfs/dbraw/zinc/30/56/46/1073305646.db2.gz BXZGAOLHPOZODP-QGZVFWFLSA-N 2 1 443.508 -0.135 20 0 IBADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164682087 719698728 /nfs/dbraw/zinc/69/87/28/719698728.db2.gz BQTYGEQGORLGSQ-UHFFFAOYSA-N 2 1 436.582 -0.251 20 0 IBADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164682087 719698715 /nfs/dbraw/zinc/69/87/15/719698715.db2.gz BQTYGEQGORLGSQ-UHFFFAOYSA-N 2 1 436.582 -0.251 20 0 IBADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164751521 720961504 /nfs/dbraw/zinc/96/15/04/720961504.db2.gz PVTFEBFKUKCFRP-UHFFFAOYSA-N 2 1 442.524 -0.242 20 0 IBADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164848878 720832928 /nfs/dbraw/zinc/83/29/28/720832928.db2.gz NRDXNGVVIWUGPY-CRAIPNDOSA-N 2 1 439.582 -0.258 20 0 IBADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164848879 720832713 /nfs/dbraw/zinc/83/27/13/720832713.db2.gz NRDXNGVVIWUGPY-MAUKXSAKSA-N 2 1 439.582 -0.258 20 0 IBADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164848880 720832776 /nfs/dbraw/zinc/83/27/76/720832776.db2.gz NRDXNGVVIWUGPY-QAPCUYQASA-N 2 1 439.582 -0.258 20 0 IBADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164848881 720833140 /nfs/dbraw/zinc/83/31/40/720833140.db2.gz NRDXNGVVIWUGPY-YJBOKZPZSA-N 2 1 439.582 -0.258 20 0 IBADMP C[NH+]1CCN(C(=O)C2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC2)CC1 ZINC001165083647 1073307893 /nfs/dbraw/zinc/30/78/93/1073307893.db2.gz YWMGAOFFYUWBNV-UHFFFAOYSA-N 2 1 436.582 -0.441 20 0 IBADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H](O)[C@@H]([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147086 1073308586 /nfs/dbraw/zinc/30/85/86/1073308586.db2.gz GQYJGHLMTZLVAM-DOTOQJQBSA-N 2 1 433.582 -0.217 20 0 IBADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]([NH3+])[C@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147090 1073308613 /nfs/dbraw/zinc/30/86/13/1073308613.db2.gz GQYJGHLMTZLVAM-NVXWUHKLSA-N 2 1 433.582 -0.217 20 0 IBADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]([NH3+])[C@@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147096 1073308596 /nfs/dbraw/zinc/30/85/96/1073308596.db2.gz GQYJGHLMTZLVAM-RDJZCZTQSA-N 2 1 433.582 -0.217 20 0 IBADMP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]([NH3+])[C@@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147103 1073308562 /nfs/dbraw/zinc/30/85/62/1073308562.db2.gz GQYJGHLMTZLVAM-WBVHZDCISA-N 2 1 433.582 -0.217 20 0 IBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966608 1072139113 /nfs/dbraw/zinc/13/91/13/1072139113.db2.gz XGPCGGFZRNFUIL-NBBXCBGESA-N 2 1 445.524 -0.669 20 0 IBADMP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC001168613016 1073121511 /nfs/dbraw/zinc/12/15/11/1073121511.db2.gz NZJNCXCFHFSTJH-UHFFFAOYSA-N 2 1 426.539 -0.178 20 0 IBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001169174534 1073596458 /nfs/dbraw/zinc/59/64/58/1073596458.db2.gz JYCWUMXWMISTGG-INIZCTEOSA-N 2 1 433.557 -0.254 20 0 IBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001169174535 1073596342 /nfs/dbraw/zinc/59/63/42/1073596342.db2.gz JYCWUMXWMISTGG-MRXNPFEDSA-N 2 1 433.557 -0.254 20 0 IBADMP CC[NH+]1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001169244785 1073598150 /nfs/dbraw/zinc/59/81/50/1073598150.db2.gz XETDBJHYIJAKQH-OALUTQOASA-N 2 1 431.585 -0.095 20 0 IBADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001171081324 1074066165 /nfs/dbraw/zinc/06/61/65/1074066165.db2.gz AUFPYYPLAZWMOC-UHFFFAOYSA-N 2 1 430.513 -0.241 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3C[N@H+](C3CC3)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260847 1074084225 /nfs/dbraw/zinc/08/42/25/1074084225.db2.gz FUALMNDQZYNSAD-DNNBLBMLSA-N 2 1 449.899 -0.637 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3C[N@@H+](C3CC3)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260847 1074084217 /nfs/dbraw/zinc/08/42/17/1074084217.db2.gz FUALMNDQZYNSAD-DNNBLBMLSA-N 2 1 449.899 -0.637 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4sc5c(c43)CC[NH2+]C5)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260953 1074084269 /nfs/dbraw/zinc/08/42/69/1074084269.db2.gz HLQNDHDFUVKOLN-KRQFVHPKSA-N 2 1 431.478 -0.951 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(c3)C3(CC4)CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263589 1074087212 /nfs/dbraw/zinc/08/72/12/1074087212.db2.gz RMYGEKYXVWIZIG-VBSBHUPXSA-N 2 1 427.505 -0.034 20 0 IBADMP COc1cc2[nH+]ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2cc1OC ZINC001171263822 1074087883 /nfs/dbraw/zinc/08/78/83/1074087883.db2.gz UKKWFBOVZZYVEX-NXWXRZEISA-N 2 1 429.433 -0.448 20 0 IBADMP CC(C)[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cn2)CC1 ZINC001171263935 1074087741 /nfs/dbraw/zinc/08/77/41/1074087741.db2.gz XCJRUHJQTWXADW-HUYLIWGRSA-N 2 1 445.524 -0.676 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([C@]45CC[NH2+][C@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264023 1074087870 /nfs/dbraw/zinc/08/78/70/1074087870.db2.gz ZKADJCWYVAYKMA-GBLMIXTLSA-N 2 1 443.504 -0.415 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([C@@]45CC[NH2+][C@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264024 1074087902 /nfs/dbraw/zinc/08/79/02/1074087902.db2.gz ZKADJCWYVAYKMA-HZLYFRJFSA-N 2 1 443.504 -0.415 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([C@]45CC[NH2+][C@@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264025 1074087764 /nfs/dbraw/zinc/08/77/64/1074087764.db2.gz ZKADJCWYVAYKMA-LPSPBKCASA-N 2 1 443.504 -0.415 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([C@@]45CC[NH2+][C@@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264026 1074087857 /nfs/dbraw/zinc/08/78/57/1074087857.db2.gz ZKADJCWYVAYKMA-POQOAFDUSA-N 2 1 443.504 -0.415 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc4cc([C@@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264372 1074088277 /nfs/dbraw/zinc/08/82/77/1074088277.db2.gz BXNLDXCAMXKEDX-MZCHELMPSA-N 2 1 442.476 -0.687 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc4cc([C@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264373 1074089029 /nfs/dbraw/zinc/08/90/29/1074089029.db2.gz BXNLDXCAMXKEDX-UYUBTLJZSA-N 2 1 442.476 -0.687 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(COC4CC[NH2+]CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264666 1074088504 /nfs/dbraw/zinc/08/85/04/1074088504.db2.gz QTADWNURDWHKNV-VBSBHUPXSA-N 2 1 431.493 -0.167 20 0 IBADMP [NH3+]CC1CC[NH+](Cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)CC1 ZINC001171266082 1074088982 /nfs/dbraw/zinc/08/89/82/1074088982.db2.gz BSGUQPJKKDTWGB-CWJKEVGVSA-N 3 1 444.536 -0.265 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(C(=O)N4CCC([NH3+])CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171267024 1074090143 /nfs/dbraw/zinc/09/01/43/1074090143.db2.gz UBJUHIYIUKNSNQ-DLVXIWMQSA-N 2 1 444.492 -0.872 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(Br)cc4c[nH+]cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171267028 1074089951 /nfs/dbraw/zinc/08/99/51/1074089951.db2.gz UDZOXJQCTCBMCT-JUDXGUMMSA-N 2 1 437.254 -0.191 20 0 IBADMP COCCC[NH+]1CCC(N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001172252091 1074127437 /nfs/dbraw/zinc/12/74/37/1074127437.db2.gz NLYJZESRSANMJF-UHFFFAOYSA-N 2 1 427.571 -0.001 20 0 IBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578023 1074132118 /nfs/dbraw/zinc/13/21/18/1074132118.db2.gz UWGKKPOLYCAMRF-HSFUPAIVSA-N 2 1 425.526 -0.162 20 0 IBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578023 1074132116 /nfs/dbraw/zinc/13/21/16/1074132116.db2.gz UWGKKPOLYCAMRF-HSFUPAIVSA-N 2 1 425.526 -0.162 20 0 IBADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578023 1074132114 /nfs/dbraw/zinc/13/21/14/1074132114.db2.gz UWGKKPOLYCAMRF-HSFUPAIVSA-N 2 1 425.526 -0.162 20 0 IBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578031 1074132063 /nfs/dbraw/zinc/13/20/63/1074132063.db2.gz UWGKKPOLYCAMRF-UYTYNIKBSA-N 2 1 425.526 -0.162 20 0 IBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578031 1074132059 /nfs/dbraw/zinc/13/20/59/1074132059.db2.gz UWGKKPOLYCAMRF-UYTYNIKBSA-N 2 1 425.526 -0.162 20 0 IBADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578031 1074132056 /nfs/dbraw/zinc/13/20/56/1074132056.db2.gz UWGKKPOLYCAMRF-UYTYNIKBSA-N 2 1 425.526 -0.162 20 0 IBADMP C[NH+]1CCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001178948095 1074180175 /nfs/dbraw/zinc/18/01/75/1074180175.db2.gz FKMTVWHDMAJEED-DLBZAZTESA-N 2 1 434.566 -0.935 20 0 IBADMP CC(C)N(C(=O)CN1CC[NH+](C)CC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001178948218 1074180016 /nfs/dbraw/zinc/18/00/16/1074180016.db2.gz IOLRVVGAKJETSX-UHFFFAOYSA-N 2 1 431.585 -0.010 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178953078 1074180196 /nfs/dbraw/zinc/18/01/96/1074180196.db2.gz BGNOBULYNDNNQB-CAVMOMJPSA-N 3 1 429.606 -0.471 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178953079 1074180105 /nfs/dbraw/zinc/18/01/05/1074180105.db2.gz BGNOBULYNDNNQB-HROONELDSA-N 3 1 429.606 -0.471 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178953080 1074180143 /nfs/dbraw/zinc/18/01/43/1074180143.db2.gz BGNOBULYNDNNQB-TXTPUJOMSA-N 3 1 429.606 -0.471 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178953081 1074180228 /nfs/dbraw/zinc/18/02/28/1074180228.db2.gz BGNOBULYNDNNQB-VDWQKOAOSA-N 3 1 429.606 -0.471 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CC[NH+](C)CC2)c2nonc21 ZINC001178955764 1074180206 /nfs/dbraw/zinc/18/02/06/1074180206.db2.gz ADDDJRMYXGHNRC-UHFFFAOYSA-N 2 1 425.515 -0.988 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179150567 1074183101 /nfs/dbraw/zinc/18/31/01/1074183101.db2.gz MVHBOFMCXZBTHI-AWEZNQCLSA-N 2 1 434.559 -0.166 20 0 IBADMP C[N@@H+]1C[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179150567 1074183096 /nfs/dbraw/zinc/18/30/96/1074183096.db2.gz MVHBOFMCXZBTHI-AWEZNQCLSA-N 2 1 434.559 -0.166 20 0 IBADMP C[N@H+]1C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179150568 1074182979 /nfs/dbraw/zinc/18/29/79/1074182979.db2.gz MVHBOFMCXZBTHI-CQSZACIVSA-N 2 1 434.559 -0.166 20 0 IBADMP C[N@@H+]1C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179150568 1074182974 /nfs/dbraw/zinc/18/29/74/1074182974.db2.gz MVHBOFMCXZBTHI-CQSZACIVSA-N 2 1 434.559 -0.166 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)C2)CC1 ZINC001179379936 1074188803 /nfs/dbraw/zinc/18/88/03/1074188803.db2.gz IFZWKZMPJMMSES-DKIMLUQUSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)C2)CC1 ZINC001179379936 1074188800 /nfs/dbraw/zinc/18/88/00/1074188800.db2.gz IFZWKZMPJMMSES-DKIMLUQUSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)C2)CC1 ZINC001179379937 1074188937 /nfs/dbraw/zinc/18/89/37/1074188937.db2.gz IFZWKZMPJMMSES-LEUOFYLZSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)C2)CC1 ZINC001179379937 1074188931 /nfs/dbraw/zinc/18/89/31/1074188931.db2.gz IFZWKZMPJMMSES-LEUOFYLZSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)C2)CC1 ZINC001179379938 1074188880 /nfs/dbraw/zinc/18/88/80/1074188880.db2.gz IFZWKZMPJMMSES-RANZSIQMSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)C2)CC1 ZINC001179379938 1074188874 /nfs/dbraw/zinc/18/88/74/1074188874.db2.gz IFZWKZMPJMMSES-RANZSIQMSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)C2)CC1 ZINC001179379939 1074188964 /nfs/dbraw/zinc/18/89/64/1074188964.db2.gz IFZWKZMPJMMSES-XOYOTBSWSA-N 2 1 437.589 -0.383 20 0 IBADMP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)C2)CC1 ZINC001179379939 1074188959 /nfs/dbraw/zinc/18/89/59/1074188959.db2.gz IFZWKZMPJMMSES-XOYOTBSWSA-N 2 1 437.589 -0.383 20 0 IBADMP C[NH+]1CCC(O)(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001182030492 1074218129 /nfs/dbraw/zinc/21/81/29/1074218129.db2.gz DPZZKMZHVXVAEA-JKSUJKDBSA-N 2 1 435.550 -0.726 20 0 IBADMP CC(C)N(C(=O)[C@@H]1C[N@@H+](C)CCN1C)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001185251688 1074265775 /nfs/dbraw/zinc/26/57/75/1074265775.db2.gz NTTPORJBGGGJQT-IBGZPJMESA-N 2 1 431.585 -0.011 20 0 IBADMP CC(C)N(C(=O)[C@@H]1C[N@H+](C)CCN1C)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001185251688 1074265772 /nfs/dbraw/zinc/26/57/72/1074265772.db2.gz NTTPORJBGGGJQT-IBGZPJMESA-N 2 1 431.585 -0.011 20 0 IBADMP CC(C)N(C(=O)[C@H]1C[N@@H+](C)CCN1C)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001185251689 1074266395 /nfs/dbraw/zinc/26/63/95/1074266395.db2.gz NTTPORJBGGGJQT-LJQANCHMSA-N 2 1 431.585 -0.011 20 0 IBADMP CC(C)N(C(=O)[C@H]1C[N@H+](C)CCN1C)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001185251689 1074266389 /nfs/dbraw/zinc/26/63/89/1074266389.db2.gz NTTPORJBGGGJQT-LJQANCHMSA-N 2 1 431.585 -0.011 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@@H+](C)CCN2C)c2nonc21 ZINC001185266727 1074266346 /nfs/dbraw/zinc/26/63/46/1074266346.db2.gz DZQKRZWKCHVVOZ-CYBMUJFWSA-N 2 1 425.515 -0.989 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@@H+](C)CCN2C)c2nonc21 ZINC001185266728 1074266305 /nfs/dbraw/zinc/26/63/05/1074266305.db2.gz DZQKRZWKCHVVOZ-ZDUSSCGKSA-N 2 1 425.515 -0.989 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266987 1074266185 /nfs/dbraw/zinc/26/61/85/1074266185.db2.gz KJSSZRZNDDNGKT-CPVUPJMFSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266987 1074266178 /nfs/dbraw/zinc/26/61/78/1074266178.db2.gz KJSSZRZNDDNGKT-CPVUPJMFSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266988 1074266211 /nfs/dbraw/zinc/26/62/11/1074266211.db2.gz KJSSZRZNDDNGKT-DWGVPJFMSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266988 1074266207 /nfs/dbraw/zinc/26/62/07/1074266207.db2.gz KJSSZRZNDDNGKT-DWGVPJFMSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266989 1074266461 /nfs/dbraw/zinc/26/64/61/1074266461.db2.gz KJSSZRZNDDNGKT-IHEFFSNCSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266989 1074266452 /nfs/dbraw/zinc/26/64/52/1074266452.db2.gz KJSSZRZNDDNGKT-IHEFFSNCSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266990 1074266283 /nfs/dbraw/zinc/26/62/83/1074266283.db2.gz KJSSZRZNDDNGKT-XUBKROCYSA-N 3 1 429.606 -0.472 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001185266990 1074266279 /nfs/dbraw/zinc/26/62/79/1074266279.db2.gz KJSSZRZNDDNGKT-XUBKROCYSA-N 3 1 429.606 -0.472 20 0 IBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1 ZINC001186105580 1074282912 /nfs/dbraw/zinc/28/29/12/1074282912.db2.gz DZFJBWVGMVUVDT-FUHWJXTLSA-N 2 1 434.541 -0.152 20 0 IBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)C1 ZINC001186105580 1074282907 /nfs/dbraw/zinc/28/29/07/1074282907.db2.gz DZFJBWVGMVUVDT-FUHWJXTLSA-N 2 1 434.541 -0.152 20 0 IBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1 ZINC001186105584 1074282874 /nfs/dbraw/zinc/28/28/74/1074282874.db2.gz DZFJBWVGMVUVDT-WMZOPIPTSA-N 2 1 434.541 -0.152 20 0 IBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)C1 ZINC001186105584 1074282869 /nfs/dbraw/zinc/28/28/69/1074282869.db2.gz DZFJBWVGMVUVDT-WMZOPIPTSA-N 2 1 434.541 -0.152 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]12 ZINC001207435005 1073327862 /nfs/dbraw/zinc/32/78/62/1073327862.db2.gz CTHVPIHTXSZCFE-QUCCMNQESA-N 2 1 428.599 -0.039 20 0 IBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC2)C1 ZINC001209272313 1073332077 /nfs/dbraw/zinc/33/20/77/1073332077.db2.gz IEEJEGFFODGRGN-ZIFCJYIRSA-N 2 1 429.558 -0.638 20 0 IBADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC2)C1 ZINC001209272313 1073332075 /nfs/dbraw/zinc/33/20/75/1073332075.db2.gz IEEJEGFFODGRGN-ZIFCJYIRSA-N 2 1 429.558 -0.638 20 0 IBADMP CC1=C(C(=O)O[C@H]2CC[NH2+]C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218181948 1073348283 /nfs/dbraw/zinc/34/82/83/1073348283.db2.gz MMVAWUFBPVXBNQ-NRTGNBEESA-N 2 1 432.502 -0.029 20 0 IBADMP CC1=C(C(=O)O[C@H]2C[NH2+][C@@H]2C)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218382965 1073349442 /nfs/dbraw/zinc/34/94/42/1073349442.db2.gz FDTMSEBDJSUYCJ-HDUPCWOSSA-N 2 1 432.502 -0.031 20 0 IBADMP CC1=C(C(=O)O[C@H]2C[NH2+][C@H]2C)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218382966 1073349510 /nfs/dbraw/zinc/34/95/10/1073349510.db2.gz FDTMSEBDJSUYCJ-JLQNKXGHSA-N 2 1 432.502 -0.031 20 0 IBADMP CC1=C(C(=O)O[C@@H]2C[NH2+][C@H]2C)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218382967 1073349556 /nfs/dbraw/zinc/34/95/56/1073349556.db2.gz FDTMSEBDJSUYCJ-KWHILCSLSA-N 2 1 432.502 -0.031 20 0 IBADMP CC1=C(C(=O)O[C@@H]2C[NH2+][C@@H]2C)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218382968 1073349530 /nfs/dbraw/zinc/34/95/30/1073349530.db2.gz FDTMSEBDJSUYCJ-SGMPLLJNSA-N 2 1 432.502 -0.031 20 0 IBADMP C[NH+]1CCN(c2ncccc2NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001218555573 1073350771 /nfs/dbraw/zinc/35/07/71/1073350771.db2.gz LSHMDPCTAWMPKM-HKUYNNGSSA-N 2 1 442.520 -0.475 20 0 IBADMP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619201 1073353168 /nfs/dbraw/zinc/35/31/68/1073353168.db2.gz BCXIJNYEKKATFN-PXNSSMCTSA-N 2 1 447.584 -0.609 20 0 IBADMP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001218770035 1073357101 /nfs/dbraw/zinc/35/71/01/1073357101.db2.gz AXZUAJILDFPFAV-INIZCTEOSA-N 2 1 431.541 -0.077 20 0 IBADMP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001218770036 1073357152 /nfs/dbraw/zinc/35/71/52/1073357152.db2.gz AXZUAJILDFPFAV-MRXNPFEDSA-N 2 1 431.541 -0.077 20 0 IBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)C1 ZINC001218785173 1073362725 /nfs/dbraw/zinc/36/27/25/1073362725.db2.gz SITFTSWNUVCQKX-HZSPNIEDSA-N 2 1 425.965 -0.298 20 0 IBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218785174 1073362703 /nfs/dbraw/zinc/36/27/03/1073362703.db2.gz SITFTSWNUVCQKX-IHRRRGAJSA-N 2 1 425.965 -0.298 20 0 IBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)C1 ZINC001218785175 1073362778 /nfs/dbraw/zinc/36/27/78/1073362778.db2.gz SITFTSWNUVCQKX-MELADBBJSA-N 2 1 425.965 -0.298 20 0 IBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218785176 1073362563 /nfs/dbraw/zinc/36/25/63/1073362563.db2.gz SITFTSWNUVCQKX-RDBSUJKOSA-N 2 1 425.965 -0.298 20 0 IBADMP COc1nccn(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874309 1073365323 /nfs/dbraw/zinc/36/53/23/1073365323.db2.gz AKYSCLQXYGZXDX-INIZCTEOSA-N 2 1 449.537 -0.846 20 0 IBADMP COc1nccn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874315 1073365213 /nfs/dbraw/zinc/36/52/13/1073365213.db2.gz AKYSCLQXYGZXDX-MRXNPFEDSA-N 2 1 449.537 -0.846 20 0 IBADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218883592 1073367896 /nfs/dbraw/zinc/36/78/96/1073367896.db2.gz NPERLNVFOAIXGV-UHFFFAOYSA-N 2 1 443.508 -0.699 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001218986425 1073370024 /nfs/dbraw/zinc/37/00/24/1073370024.db2.gz DZZOSOQIKLIAMD-GOSISDBHSA-N 2 1 449.577 -0.388 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001218986426 1073370108 /nfs/dbraw/zinc/37/01/08/1073370108.db2.gz DZZOSOQIKLIAMD-SFHVURJKSA-N 2 1 449.577 -0.388 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC001218986625 1073369984 /nfs/dbraw/zinc/36/99/84/1073369984.db2.gz MAASDEMFMFPFEO-IBGZPJMESA-N 2 1 442.564 -0.049 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC001218986626 1073370170 /nfs/dbraw/zinc/37/01/70/1073370170.db2.gz MAASDEMFMFPFEO-LJQANCHMSA-N 2 1 442.564 -0.049 20 0 IBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc1 ZINC001218989607 1073370554 /nfs/dbraw/zinc/37/05/54/1073370554.db2.gz UYSJORLGWUJIPU-UHFFFAOYSA-N 2 1 440.570 -0.944 20 0 IBADMP C[N@@H+](Cc1ccccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC001219024054 1073370600 /nfs/dbraw/zinc/37/06/00/1073370600.db2.gz PQCNHSRJAOOEQR-UHFFFAOYSA-N 2 1 446.552 -0.303 20 0 IBADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001219261958 1073371555 /nfs/dbraw/zinc/37/15/55/1073371555.db2.gz GVUUBMLOZISGQG-GXTWGEPZSA-N 2 1 446.508 -0.112 20 0 IBADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219262170 1073371532 /nfs/dbraw/zinc/37/15/32/1073371532.db2.gz NQCOPTUUSNCMQY-FZMZJTMJSA-N 2 1 432.481 -0.502 20 0 IBADMP COc1ccc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc1OCCC[NH+]1CCN(C)CC1 ZINC001219314317 1073371471 /nfs/dbraw/zinc/37/14/71/1073371471.db2.gz FAXGEGSLFZRYFW-GOSISDBHSA-N 2 1 433.553 -0.020 20 0 IBADMP COc1ccc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc1OCCC[NH+]1CCN(C)CC1 ZINC001219314318 1073371850 /nfs/dbraw/zinc/37/18/50/1073371850.db2.gz FAXGEGSLFZRYFW-SFHVURJKSA-N 2 1 433.553 -0.020 20 0 IBADMP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676441 1073374335 /nfs/dbraw/zinc/37/43/35/1073374335.db2.gz KOIIZFIEPCFKFA-NSHDSACASA-N 2 1 425.374 -0.268 20 0 IBADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676936 1073374427 /nfs/dbraw/zinc/37/44/27/1073374427.db2.gz ZSPWOJUWVDNGAH-ZWKOTPCHSA-N 2 1 438.550 -0.741 20 0 IBADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676936 1073374414 /nfs/dbraw/zinc/37/44/14/1073374414.db2.gz ZSPWOJUWVDNGAH-ZWKOTPCHSA-N 2 1 438.550 -0.741 20 0 IBADMP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N3CC[NH2+]CC3)ccc2O1 ZINC001219678257 1073375051 /nfs/dbraw/zinc/37/50/51/1073375051.db2.gz IMWMUSSWNPQLNY-INIZCTEOSA-N 2 1 426.539 -0.447 20 0 IBADMP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219678276 1073374830 /nfs/dbraw/zinc/37/48/30/1073374830.db2.gz JFUVRVWFVJKOSB-KRWDZBQOSA-N 2 1 440.566 -0.137 20 0 IBADMP [NH3+][C@H]1CCCN([C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3[nH]2)C1 ZINC001219678431 1073374865 /nfs/dbraw/zinc/37/48/65/1073374865.db2.gz OBJFMSPZIVKIJI-FXAWDEMLSA-N 2 1 448.593 -0.017 20 0 IBADMP [NH3+][C@H]1CCCN([C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3[nH]2)C1 ZINC001219678432 1073374953 /nfs/dbraw/zinc/37/49/53/1073374953.db2.gz OBJFMSPZIVKIJI-PXNSSMCTSA-N 2 1 448.593 -0.017 20 0 IBADMP [NH3+][C@@H]1CCCN([C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3[nH]2)C1 ZINC001219678433 1073374716 /nfs/dbraw/zinc/37/47/16/1073374716.db2.gz OBJFMSPZIVKIJI-XLIONFOSSA-N 2 1 448.593 -0.017 20 0 IBADMP [NH3+][C@@H]1CCCN([C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3[nH]2)C1 ZINC001219678434 1073374975 /nfs/dbraw/zinc/37/49/75/1073374975.db2.gz OBJFMSPZIVKIJI-YLJYHZDGSA-N 2 1 448.593 -0.017 20 0 IBADMP COc1ccc2c(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N3CC[NH2+]CC3)cc(=O)oc2c1 ZINC001219678443 1073375000 /nfs/dbraw/zinc/37/50/00/1073375000.db2.gz OIRLIEHDQLBEPP-INIZCTEOSA-N 2 1 438.506 -0.977 20 0 IBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219678468 1073375104 /nfs/dbraw/zinc/37/51/04/1073375104.db2.gz PDKXIENLQKFXIP-IBGZPJMESA-N 2 1 434.566 -0.535 20 0 IBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219678469 1073374785 /nfs/dbraw/zinc/37/47/85/1073374785.db2.gz PDKXIENLQKFXIP-LJQANCHMSA-N 2 1 434.566 -0.535 20 0 IBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219678539 1073374755 /nfs/dbraw/zinc/37/47/55/1073374755.db2.gz RZERAXKJDXKALA-IFMALSPDSA-N 3 1 449.621 -0.161 20 0 IBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219678539 1073374746 /nfs/dbraw/zinc/37/47/46/1073374746.db2.gz RZERAXKJDXKALA-IFMALSPDSA-N 3 1 449.621 -0.161 20 0 IBADMP O=C(NCCS(=O)(=O)N1CCNCC1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219678539 1073374735 /nfs/dbraw/zinc/37/47/35/1073374735.db2.gz RZERAXKJDXKALA-IFMALSPDSA-N 2 1 449.621 -0.161 20 0 IBADMP [NH3+][C@@H]1CCN([C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3o2)C1 ZINC001219678657 1073375376 /nfs/dbraw/zinc/37/53/76/1073375376.db2.gz YRLPVAMDIXVASU-APWZRJJASA-N 2 1 435.550 -0.142 20 0 IBADMP [NH3+][C@H]1CCN([C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3o2)C1 ZINC001219678658 1073375282 /nfs/dbraw/zinc/37/52/82/1073375282.db2.gz YRLPVAMDIXVASU-LPHOPBHVSA-N 2 1 435.550 -0.142 20 0 IBADMP [NH3+][C@H]1CCN([C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3o2)C1 ZINC001219678659 1073375460 /nfs/dbraw/zinc/37/54/60/1073375460.db2.gz YRLPVAMDIXVASU-QFBILLFUSA-N 2 1 435.550 -0.142 20 0 IBADMP [NH3+][C@@H]1CCN([C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2cc3ccccc3o2)C1 ZINC001219678660 1073375492 /nfs/dbraw/zinc/37/54/92/1073375492.db2.gz YRLPVAMDIXVASU-VQIMIIECSA-N 2 1 435.550 -0.142 20 0 IBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726052 1073376538 /nfs/dbraw/zinc/37/65/38/1073376538.db2.gz HIGXWMGXGDNIMB-IBGZPJMESA-N 3 1 437.610 -0.175 20 0 IBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726054 1073376508 /nfs/dbraw/zinc/37/65/08/1073376508.db2.gz HIGXWMGXGDNIMB-LJQANCHMSA-N 3 1 437.610 -0.175 20 0 IBADMP CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729553 1073376349 /nfs/dbraw/zinc/37/63/49/1073376349.db2.gz ZBMHDEXELRBBFA-PMACEKPBSA-N 2 1 445.564 -0.782 20 0 IBADMP CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729554 1073376379 /nfs/dbraw/zinc/37/63/79/1073376379.db2.gz ZBMHDEXELRBBFA-UXHICEINSA-N 2 1 445.564 -0.782 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765879 1073377197 /nfs/dbraw/zinc/37/71/97/1073377197.db2.gz GEDFYPFYZWOXSH-PJVZLEMVSA-N 2 1 436.601 -0.735 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765879 1073377190 /nfs/dbraw/zinc/37/71/90/1073377190.db2.gz GEDFYPFYZWOXSH-PJVZLEMVSA-N 2 1 436.601 -0.735 20 0 IBADMP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219802880 1073377824 /nfs/dbraw/zinc/37/78/24/1073377824.db2.gz FGAAQGFFFDBMEI-INIZCTEOSA-N 2 1 427.509 -0.325 20 0 IBADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219807267 1073377902 /nfs/dbraw/zinc/37/79/02/1073377902.db2.gz BGSMJAWSZVTVDB-OALUTQOASA-N 2 1 438.532 -0.168 20 0 IBADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808211 1073378127 /nfs/dbraw/zinc/37/81/27/1073378127.db2.gz XRXKVMZHIJUBID-YEWWUXTCSA-N 2 1 438.598 -0.036 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CO[C@@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844206 1073379417 /nfs/dbraw/zinc/37/94/17/1073379417.db2.gz JNXITYPCIIHVBT-NRJQMVOHSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CO[C@@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844206 1073379406 /nfs/dbraw/zinc/37/94/06/1073379406.db2.gz JNXITYPCIIHVBT-NRJQMVOHSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CO[C@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844207 1073379485 /nfs/dbraw/zinc/37/94/85/1073379485.db2.gz JNXITYPCIIHVBT-SGXKBVARSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CO[C@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844207 1073379474 /nfs/dbraw/zinc/37/94/74/1073379474.db2.gz JNXITYPCIIHVBT-SGXKBVARSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CO[C@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844208 1073379613 /nfs/dbraw/zinc/37/96/13/1073379613.db2.gz JNXITYPCIIHVBT-TVTNDZMWSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CO[C@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844208 1073379607 /nfs/dbraw/zinc/37/96/07/1073379607.db2.gz JNXITYPCIIHVBT-TVTNDZMWSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CO[C@@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844209 1073379598 /nfs/dbraw/zinc/37/95/98/1073379598.db2.gz JNXITYPCIIHVBT-ZJBJCVSYSA-N 2 1 443.552 -0.228 20 0 IBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CO[C@@]4(C3)C[NH2+]CCOC4)cn21 ZINC001219844209 1073379594 /nfs/dbraw/zinc/37/95/94/1073379594.db2.gz JNXITYPCIIHVBT-ZJBJCVSYSA-N 2 1 443.552 -0.228 20 0 IBADMP Cc1[nH+]ccn1CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001219934754 1073381818 /nfs/dbraw/zinc/38/18/18/1073381818.db2.gz LCLFPJMDWNIQEB-JDFRZJQESA-N 2 1 426.493 -0.791 20 0 IBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219940834 1073381916 /nfs/dbraw/zinc/38/19/16/1073381916.db2.gz GPZUYRCZWJBPDT-PMACEKPBSA-N 2 1 448.564 -0.110 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C(=O)CF ZINC001219981100 1073382923 /nfs/dbraw/zinc/38/29/23/1073382923.db2.gz WZBBTVLCUZFOLJ-FPXQBCRKSA-N 2 1 443.564 -0.264 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C(=O)CF ZINC001219981101 1073382792 /nfs/dbraw/zinc/38/27/92/1073382792.db2.gz WZBBTVLCUZFOLJ-RCJHGTSTSA-N 2 1 443.564 -0.264 20 0 IBADMP COc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1S(N)(=O)=O ZINC001220041763 1073383716 /nfs/dbraw/zinc/38/37/16/1073383716.db2.gz YQFIATKZQIDHRE-PBHICJAKSA-N 2 1 440.566 -0.157 20 0 IBADMP COc1ccc(C[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)cc1S(N)(=O)=O ZINC001220041764 1073383562 /nfs/dbraw/zinc/38/35/62/1073383562.db2.gz YQFIATKZQIDHRE-RHSMWYFYSA-N 2 1 440.566 -0.157 20 0 IBADMP Cc1[nH+]c(N)ccc1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220071737 1073384029 /nfs/dbraw/zinc/38/40/29/1073384029.db2.gz OWSASURCQIEZAB-YEWDVWPNSA-N 2 1 438.504 -0.510 20 0 IBADMP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220120375 1073385101 /nfs/dbraw/zinc/38/51/01/1073385101.db2.gz AJDWEMDIKYPEFU-INIZCTEOSA-N 3 1 439.524 -0.333 20 0 IBADMP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220120376 1073385209 /nfs/dbraw/zinc/38/52/09/1073385209.db2.gz AJDWEMDIKYPEFU-MRXNPFEDSA-N 3 1 439.524 -0.333 20 0 IBADMP COC(=O)[C@@]1(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220226474 1073386530 /nfs/dbraw/zinc/38/65/30/1073386530.db2.gz SWLZMVUCSBCHGA-HTAPYJJXSA-N 2 1 439.520 -0.142 20 0 IBADMP COC(=O)[C@]1(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220226475 1073386446 /nfs/dbraw/zinc/38/64/46/1073386446.db2.gz SWLZMVUCSBCHGA-JTSKRJEESA-N 2 1 439.520 -0.142 20 0 IBADMP COC(=O)[C@@]1(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220226476 1073386507 /nfs/dbraw/zinc/38/65/07/1073386507.db2.gz SWLZMVUCSBCHGA-VGOFRKELSA-N 2 1 439.520 -0.142 20 0 IBADMP COC(=O)[C@]1(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220226477 1073386607 /nfs/dbraw/zinc/38/66/07/1073386607.db2.gz SWLZMVUCSBCHGA-VGSWGCGISA-N 2 1 439.520 -0.142 20 0 IBADMP COC(=O)[C@@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228160 1073386578 /nfs/dbraw/zinc/38/65/78/1073386578.db2.gz BYVYHLKBKFSWIJ-CMPZQBNXSA-N 2 1 433.509 -0.982 20 0 IBADMP COC(=O)[C@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228161 1073386824 /nfs/dbraw/zinc/38/68/24/1073386824.db2.gz BYVYHLKBKFSWIJ-PXARDIRTSA-N 2 1 433.509 -0.982 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[N@H+]1C)C(=O)CF ZINC001220251829 1073387148 /nfs/dbraw/zinc/38/71/48/1073387148.db2.gz GZUTWZCIISYGGX-KRXQYRFLSA-N 2 1 429.537 -0.512 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[N@H+]1C)C(=O)CF ZINC001220251830 1073387245 /nfs/dbraw/zinc/38/72/45/1073387245.db2.gz GZUTWZCIISYGGX-XSWJXKHESA-N 2 1 429.537 -0.512 20 0 IBADMP CCOC(=O)[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282850 1073388191 /nfs/dbraw/zinc/38/81/91/1073388191.db2.gz OVIWJVNVBHJQMK-MSOLQXFVSA-N 2 1 427.523 -0.487 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CC[S@@](C)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505276 1073392492 /nfs/dbraw/zinc/39/24/92/1073392492.db2.gz AAHUNXALZICDEC-DNMIOJKVSA-N 2 1 436.619 -0.622 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CC[S@@](C)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220505277 1073392601 /nfs/dbraw/zinc/39/26/01/1073392601.db2.gz AAHUNXALZICDEC-RCTIGPFSSA-N 2 1 436.619 -0.622 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CC[S@](C)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505278 1073392584 /nfs/dbraw/zinc/39/25/84/1073392584.db2.gz AAHUNXALZICDEC-UULFGTGVSA-N 2 1 436.619 -0.622 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CC[S@](C)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220505279 1073392614 /nfs/dbraw/zinc/39/26/14/1073392614.db2.gz AAHUNXALZICDEC-YMTDAVPBSA-N 2 1 436.619 -0.622 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]Cc3ccnn32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505289 1073392377 /nfs/dbraw/zinc/39/23/77/1073392377.db2.gz AGCNNILXRSGSAZ-FAAMRNMBSA-N 3 1 438.573 -0.177 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]Cc3ccnn32)[C@H](O)OC(C)(C)C)C1 ZINC001220505290 1073392516 /nfs/dbraw/zinc/39/25/16/1073392516.db2.gz AGCNNILXRSGSAZ-HJZQSHLLSA-N 3 1 438.573 -0.177 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]Cc3ccnn32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505291 1073392552 /nfs/dbraw/zinc/39/25/52/1073392552.db2.gz AGCNNILXRSGSAZ-NJGAOMSGSA-N 3 1 438.573 -0.177 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]Cc3ccnn32)[C@H](O)OC(C)(C)C)C1 ZINC001220505292 1073392457 /nfs/dbraw/zinc/39/24/57/1073392457.db2.gz AGCNNILXRSGSAZ-YYJCOMGZSA-N 3 1 438.573 -0.177 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505347 1073392431 /nfs/dbraw/zinc/39/24/31/1073392431.db2.gz BENMDFTUMJYWBB-DQWLROJASA-N 2 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505348 1073392504 /nfs/dbraw/zinc/39/25/04/1073392504.db2.gz BENMDFTUMJYWBB-DUUCEYBISA-N 2 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505349 1073392573 /nfs/dbraw/zinc/39/25/73/1073392573.db2.gz BENMDFTUMJYWBB-KBVRGVHISA-N 2 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505350 1073392444 /nfs/dbraw/zinc/39/24/44/1073392444.db2.gz BENMDFTUMJYWBB-RNULLNAKSA-N 2 1 438.573 -0.105 20 0 IBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505411 1073392881 /nfs/dbraw/zinc/39/28/81/1073392881.db2.gz CDASISDUILXZIK-AZQUSHFISA-N 3 1 432.562 -0.438 20 0 IBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505412 1073392945 /nfs/dbraw/zinc/39/29/45/1073392945.db2.gz CDASISDUILXZIK-FUZQMIKYSA-N 3 1 432.562 -0.438 20 0 IBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505413 1073393092 /nfs/dbraw/zinc/39/30/92/1073393092.db2.gz CDASISDUILXZIK-KDWNQABDSA-N 3 1 432.562 -0.438 20 0 IBADMP COC(=O)[C@@H]([NH3+])CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505414 1073393043 /nfs/dbraw/zinc/39/30/43/1073393043.db2.gz CDASISDUILXZIK-SWLGVLRJSA-N 3 1 432.562 -0.438 20 0 IBADMP CCOC(=O)C1(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CNC1 ZINC001220505740 1073393529 /nfs/dbraw/zinc/39/35/29/1073393529.db2.gz HBOFUKBLUUSYOG-GMHRPJKWSA-N 2 1 444.573 -0.565 20 0 IBADMP CCOC(=O)C1(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CNC1 ZINC001220505741 1073393303 /nfs/dbraw/zinc/39/33/03/1073393303.db2.gz HBOFUKBLUUSYOG-SIBFUHKCSA-N 2 1 444.573 -0.565 20 0 IBADMP CCOC(=O)C1(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CNC1 ZINC001220505742 1073393560 /nfs/dbraw/zinc/39/35/60/1073393560.db2.gz HBOFUKBLUUSYOG-XHWCBRGXSA-N 2 1 444.573 -0.565 20 0 IBADMP CCOC(=O)C1(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CNC1 ZINC001220505743 1073393315 /nfs/dbraw/zinc/39/33/15/1073393315.db2.gz HBOFUKBLUUSYOG-ZAHIEGGZSA-N 2 1 444.573 -0.565 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506158 1073394464 /nfs/dbraw/zinc/39/44/64/1073394464.db2.gz LEWIAIWOMDHPIP-FMCFTNBYSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506160 1073394760 /nfs/dbraw/zinc/39/47/60/1073394760.db2.gz LEWIAIWOMDHPIP-JCTFZMBRSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506161 1073394616 /nfs/dbraw/zinc/39/46/16/1073394616.db2.gz LEWIAIWOMDHPIP-JTVCPLHISA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506162 1073394680 /nfs/dbraw/zinc/39/46/80/1073394680.db2.gz LEWIAIWOMDHPIP-KZTUBPIMSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506824 1073394740 /nfs/dbraw/zinc/39/47/40/1073394740.db2.gz PVPUYUSJBCEVCH-AELFRYFLSA-N 3 1 439.561 -0.710 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506825 1073394703 /nfs/dbraw/zinc/39/47/03/1073394703.db2.gz PVPUYUSJBCEVCH-DPSXKDBOSA-N 3 1 439.561 -0.710 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506826 1073394489 /nfs/dbraw/zinc/39/44/89/1073394489.db2.gz PVPUYUSJBCEVCH-SVZGUOJNSA-N 3 1 439.561 -0.710 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506827 1073394581 /nfs/dbraw/zinc/39/45/81/1073394581.db2.gz PVPUYUSJBCEVCH-ZGDBRWAVSA-N 3 1 439.561 -0.710 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)CN)[C@H](O)OC(C)(C)C)C1 ZINC001220506999 1073395221 /nfs/dbraw/zinc/39/52/21/1073395221.db2.gz QYKFZTDAQVLNLP-HSIZOEMOSA-N 2 1 443.589 -0.768 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)CN)[C@@H](O)OC(C)(C)C)C1 ZINC001220507000 1073394900 /nfs/dbraw/zinc/39/49/00/1073394900.db2.gz QYKFZTDAQVLNLP-HZORIUTHSA-N 2 1 443.589 -0.768 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)CN)[C@@H](O)OC(C)(C)C)C1 ZINC001220507001 1073395077 /nfs/dbraw/zinc/39/50/77/1073395077.db2.gz QYKFZTDAQVLNLP-MMEQEAHYSA-N 2 1 443.589 -0.768 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)CN)[C@H](O)OC(C)(C)C)C1 ZINC001220507002 1073395127 /nfs/dbraw/zinc/39/51/27/1073395127.db2.gz QYKFZTDAQVLNLP-VXONEUGFSA-N 2 1 443.589 -0.768 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CSCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507019 1073395034 /nfs/dbraw/zinc/39/50/34/1073395034.db2.gz RBZCOHGNCIOXQT-BBAVMRQUSA-N 3 1 435.635 -0.699 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CSCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507020 1073395374 /nfs/dbraw/zinc/39/53/74/1073395374.db2.gz RBZCOHGNCIOXQT-QPMXBGOESA-N 3 1 435.635 -0.699 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CSCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507021 1073395095 /nfs/dbraw/zinc/39/50/95/1073395095.db2.gz RBZCOHGNCIOXQT-WELJMZOKSA-N 3 1 435.635 -0.699 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CSCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507022 1073395111 /nfs/dbraw/zinc/39/51/11/1073395111.db2.gz RBZCOHGNCIOXQT-ZRNNSCFXSA-N 3 1 435.635 -0.699 20 0 IBADMP Cn1cncc1C[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507081 1073394990 /nfs/dbraw/zinc/39/49/90/1073394990.db2.gz RYJTXEAVARWDKI-AYVQPJNESA-N 2 1 440.589 -0.415 20 0 IBADMP Cn1cncc1C[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507082 1073395189 /nfs/dbraw/zinc/39/51/89/1073395189.db2.gz RYJTXEAVARWDKI-FAAMRNMBSA-N 2 1 440.589 -0.415 20 0 IBADMP Cn1cncc1C[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507083 1073395165 /nfs/dbraw/zinc/39/51/65/1073395165.db2.gz RYJTXEAVARWDKI-HJZQSHLLSA-N 2 1 440.589 -0.415 20 0 IBADMP Cn1cncc1C[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507084 1073395143 /nfs/dbraw/zinc/39/51/43/1073395143.db2.gz RYJTXEAVARWDKI-VIEQHGRHSA-N 2 1 440.589 -0.415 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cn2cccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507208 1073395556 /nfs/dbraw/zinc/39/55/56/1073395556.db2.gz UKNMEMYDPKBINT-LAIMCUOGSA-N 2 1 426.562 -0.494 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cn2cccn2)[C@H](O)OC(C)(C)C)C1 ZINC001220507209 1073395888 /nfs/dbraw/zinc/39/58/88/1073395888.db2.gz UKNMEMYDPKBINT-QQPKDZIPSA-N 2 1 426.562 -0.494 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cn2cccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507210 1073395907 /nfs/dbraw/zinc/39/59/07/1073395907.db2.gz UKNMEMYDPKBINT-RKYZWWOHSA-N 2 1 426.562 -0.494 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cn2cccn2)[C@H](O)OC(C)(C)C)C1 ZINC001220507211 1073395716 /nfs/dbraw/zinc/39/57/16/1073395716.db2.gz UKNMEMYDPKBINT-ZRLASGMHSA-N 2 1 426.562 -0.494 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CC[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507231 1073395953 /nfs/dbraw/zinc/39/59/53/1073395953.db2.gz UOCUUCRCVVDBTL-AODHUNPMSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CC[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507232 1073395619 /nfs/dbraw/zinc/39/56/19/1073395619.db2.gz UOCUUCRCVVDBTL-DZKZAWRRSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CC[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507233 1073395808 /nfs/dbraw/zinc/39/58/08/1073395808.db2.gz UOCUUCRCVVDBTL-REDDJGESSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CC[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507234 1073395974 /nfs/dbraw/zinc/39/59/74/1073395974.db2.gz UOCUUCRCVVDBTL-YYVUJICRSA-N 3 1 438.573 -0.105 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507520 1073397019 /nfs/dbraw/zinc/39/70/19/1073397019.db2.gz ZKUDCVAHJBSUJJ-IGTUZVPQSA-N 2 1 438.573 -0.035 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507521 1073396761 /nfs/dbraw/zinc/39/67/61/1073396761.db2.gz ZKUDCVAHJBSUJJ-KLWOWTALSA-N 2 1 438.573 -0.035 20 0 IBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507522 1073396926 /nfs/dbraw/zinc/39/69/26/1073396926.db2.gz ZKUDCVAHJBSUJJ-QGOMOXGRSA-N 2 1 438.573 -0.035 20 0 IBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507523 1073396869 /nfs/dbraw/zinc/39/68/69/1073396869.db2.gz ZKUDCVAHJBSUJJ-YAKLFMFLSA-N 2 1 438.573 -0.035 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571745 1073400306 /nfs/dbraw/zinc/40/03/06/1073400306.db2.gz YMCBXGUDFIKYCT-ICSRJNTNSA-N 2 1 445.564 -0.738 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)c3ccccn3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001220622374 1073400917 /nfs/dbraw/zinc/40/09/17/1073400917.db2.gz LWBOQMFXHMMECT-KRWDZBQOSA-N 2 1 437.566 -0.196 20 0 IBADMP C[N@H+]1C[C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccn3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001220622375 1073400888 /nfs/dbraw/zinc/40/08/88/1073400888.db2.gz LWBOQMFXHMMECT-QGZVFWFLSA-N 2 1 437.566 -0.196 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]Cc3ccnn32)c2nonc21 ZINC001220746180 1073402956 /nfs/dbraw/zinc/40/29/56/1073402956.db2.gz QTCCKWJNQRRGNC-CYBMUJFWSA-N 2 1 434.482 -0.694 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]Cc3ccnn32)c2nonc21 ZINC001220746181 1073403045 /nfs/dbraw/zinc/40/30/45/1073403045.db2.gz QTCCKWJNQRRGNC-ZDUSSCGKSA-N 2 1 434.482 -0.694 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2c3c(nn2C)C[NH2+]C3)c2nonc21 ZINC001220747877 1073403656 /nfs/dbraw/zinc/40/36/56/1073403656.db2.gz AYISNKGRSBWDIM-UHFFFAOYSA-N 2 1 434.482 -0.585 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cnc(C[NH3+])s2)c2nonc21 ZINC001220748633 1073403709 /nfs/dbraw/zinc/40/37/09/1073403709.db2.gz KWEYVNXOHNTNJP-UHFFFAOYSA-N 2 1 425.496 -0.006 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cc3n(n2)CC[NH2+]C3)c2nonc21 ZINC001220749111 1073404390 /nfs/dbraw/zinc/40/43/90/1073404390.db2.gz QNZXTZFTOOYKPX-UHFFFAOYSA-N 2 1 434.482 -0.622 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cnn3c2C[NH2+]CC3)c2nonc21 ZINC001220749527 1073404333 /nfs/dbraw/zinc/40/43/33/1073404333.db2.gz WJKYATREVVXRLA-UHFFFAOYSA-N 2 1 434.482 -0.622 20 0 IBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COC(C)(C)C[NH2+]2)c2nonc21 ZINC001220749687 1073404841 /nfs/dbraw/zinc/40/48/41/1073404841.db2.gz YNKNPDWORRFUJF-NSHDSACASA-N 2 1 426.499 -0.468 20 0 IBADMP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NCCN2CC[NH2+]CC2=O)cc1 ZINC001220874919 1073409732 /nfs/dbraw/zinc/40/97/32/1073409732.db2.gz RAVQWHDOOUDOAD-KRWDZBQOSA-N 2 1 425.555 -0.681 20 0 IBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001220915161 1073411162 /nfs/dbraw/zinc/41/11/62/1073411162.db2.gz PYBFGWKVXBRKJC-IHPCNDPISA-N 2 1 427.505 -0.475 20 0 IBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001220915161 1073411160 /nfs/dbraw/zinc/41/11/60/1073411160.db2.gz PYBFGWKVXBRKJC-IHPCNDPISA-N 2 1 427.505 -0.475 20 0 IBADMP 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CN1C[C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)OC2(CC[NH2+]CC2)C1 ZINC001221148541 1073417505 /nfs/dbraw/zinc/41/75/05/1073417505.db2.gz FRVNNCQIEVLRQT-SFHVURJKSA-N 2 1 437.566 -0.615 20 0 IBADMP C[N@H+]1C[C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)OC2(CC[NH2+]CC2)C1 ZINC001221148541 1073417501 /nfs/dbraw/zinc/41/75/01/1073417501.db2.gz FRVNNCQIEVLRQT-SFHVURJKSA-N 3 1 437.566 -0.615 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@]1(C)CCC[N@@H+](C)C1)C(=O)CF ZINC001221241469 1073421456 /nfs/dbraw/zinc/42/14/56/1073421456.db2.gz WERYVZPUEZOXMF-CXIBIASBSA-N 2 1 429.537 -0.512 20 0 IBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@]1(C)CCC[N@@H+](C)C1)C(=O)CF ZINC001221241475 1073421481 /nfs/dbraw/zinc/42/14/81/1073421481.db2.gz WERYVZPUEZOXMF-FGTCXIJOSA-N 2 1 429.537 -0.512 20 0 IBADMP COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC[NH2+]CC1 ZINC001221267049 1073422802 /nfs/dbraw/zinc/42/28/02/1073422802.db2.gz ZTNOYCJHTAIPOV-CUCDBKBVSA-N 2 1 430.553 -0.279 20 0 IBADMP COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC[NH2+]CC1 ZINC001221267051 1073422865 /nfs/dbraw/zinc/42/28/65/1073422865.db2.gz ZTNOYCJHTAIPOV-DJJREKMQSA-N 2 1 430.553 -0.279 20 0 IBADMP COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC[NH2+]CC1 ZINC001221267052 1073422921 /nfs/dbraw/zinc/42/29/21/1073422921.db2.gz ZTNOYCJHTAIPOV-JSKFIWTKSA-N 2 1 430.553 -0.279 20 0 IBADMP COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC[NH2+]CC1 ZINC001221267053 1073422983 /nfs/dbraw/zinc/42/29/83/1073422983.db2.gz ZTNOYCJHTAIPOV-QRAQMOIBSA-N 2 1 430.553 -0.279 20 0 IBADMP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221337813 1073423603 /nfs/dbraw/zinc/42/36/03/1073423603.db2.gz RHUVKPPLAKIFQV-BZSNNMDCSA-N 2 1 427.590 -0.028 20 0 IBADMP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221337820 1073423773 /nfs/dbraw/zinc/42/37/73/1073423773.db2.gz RHUVKPPLAKIFQV-SQNIBIBYSA-N 2 1 427.590 -0.028 20 0 IBADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221340270 1073423507 /nfs/dbraw/zinc/42/35/07/1073423507.db2.gz DVJXCAKPTZUWEV-HOTGVXAUSA-N 2 1 434.566 -0.394 20 0 IBADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221340274 1073423876 /nfs/dbraw/zinc/42/38/76/1073423876.db2.gz DVJXCAKPTZUWEV-JKSUJKDBSA-N 2 1 434.566 -0.394 20 0 IBADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221341752 1073424301 /nfs/dbraw/zinc/42/43/01/1073424301.db2.gz ZPQZDYXMMFJALU-GOEBONIOSA-N 2 1 432.550 -0.246 20 0 IBADMP NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221341753 1073424710 /nfs/dbraw/zinc/42/47/10/1073424710.db2.gz ZPQZDYXMMFJALU-HOCLYGCPSA-N 2 1 432.550 -0.246 20 0 IBADMP COCC[N@@H+](C)[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC001221413084 1073429465 /nfs/dbraw/zinc/42/94/65/1073429465.db2.gz OBGXDPQCZXTDCI-RCBQFDQVSA-N 2 1 427.933 -0.217 20 0 IBADMP COCC[N@@H+](C)[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC001221413085 1073429448 /nfs/dbraw/zinc/42/94/48/1073429448.db2.gz OBGXDPQCZXTDCI-VBNZEHGJSA-N 2 1 427.933 -0.217 20 0 IBADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001221891590 1073432624 /nfs/dbraw/zinc/43/26/24/1073432624.db2.gz CTQLVXBMIBCUEE-IBGZPJMESA-N 2 1 425.574 -0.427 20 0 IBADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001221891590 1073432616 /nfs/dbraw/zinc/43/26/16/1073432616.db2.gz CTQLVXBMIBCUEE-IBGZPJMESA-N 2 1 425.574 -0.427 20 0 IBADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001221891591 1073432879 /nfs/dbraw/zinc/43/28/79/1073432879.db2.gz CTQLVXBMIBCUEE-LJQANCHMSA-N 2 1 425.574 -0.427 20 0 IBADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001221891591 1073432874 /nfs/dbraw/zinc/43/28/74/1073432874.db2.gz CTQLVXBMIBCUEE-LJQANCHMSA-N 2 1 425.574 -0.427 20 0 IBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001227356085 1073447378 /nfs/dbraw/zinc/44/73/78/1073447378.db2.gz ORGCDPCDFMBPCR-LEWJYISDSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001227356085 1073447368 /nfs/dbraw/zinc/44/73/68/1073447368.db2.gz ORGCDPCDFMBPCR-LEWJYISDSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356085 1073447355 /nfs/dbraw/zinc/44/73/55/1073447355.db2.gz ORGCDPCDFMBPCR-LEWJYISDSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001227356094 1073447452 /nfs/dbraw/zinc/44/74/52/1073447452.db2.gz ORGCDPCDFMBPCR-NHCUHLMSSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001227356094 1073447444 /nfs/dbraw/zinc/44/74/44/1073447444.db2.gz ORGCDPCDFMBPCR-NHCUHLMSSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356094 1073447435 /nfs/dbraw/zinc/44/74/35/1073447435.db2.gz ORGCDPCDFMBPCR-NHCUHLMSSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001227356102 1073448306 /nfs/dbraw/zinc/44/83/06/1073448306.db2.gz ORGCDPCDFMBPCR-RTWAWAEBSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001227356102 1073448301 /nfs/dbraw/zinc/44/83/01/1073448301.db2.gz ORGCDPCDFMBPCR-RTWAWAEBSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356102 1073448295 /nfs/dbraw/zinc/44/82/95/1073448295.db2.gz ORGCDPCDFMBPCR-RTWAWAEBSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001227356110 1073448260 /nfs/dbraw/zinc/44/82/60/1073448260.db2.gz ORGCDPCDFMBPCR-SFTDATJTSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001227356110 1073448253 /nfs/dbraw/zinc/44/82/53/1073448253.db2.gz ORGCDPCDFMBPCR-SFTDATJTSA-N 2 1 438.617 -0.511 20 0 IBADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356110 1073448244 /nfs/dbraw/zinc/44/82/44/1073448244.db2.gz ORGCDPCDFMBPCR-SFTDATJTSA-N 2 1 438.617 -0.511 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](CC[C@@H]3C[NH2+]CCO3)CC[C@@H]12 ZINC001235491544 1073478126 /nfs/dbraw/zinc/47/81/26/1073478126.db2.gz AGICOAHVSBGRFM-GGPKGHCWSA-N 2 1 444.598 -0.660 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](CC[C@H]3C[NH2+]CCO3)CC[C@@H]12 ZINC001235491547 1073478012 /nfs/dbraw/zinc/47/80/12/1073478012.db2.gz AGICOAHVSBGRFM-NSHGMRRFSA-N 2 1 444.598 -0.660 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC001235492878 1073478146 /nfs/dbraw/zinc/47/81/46/1073478146.db2.gz JBOLALWMFAIZMS-GGPKGHCWSA-N 2 1 428.599 -0.039 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC001235492884 1073477994 /nfs/dbraw/zinc/47/79/94/1073477994.db2.gz JBOLALWMFAIZMS-NSHGMRRFSA-N 2 1 428.599 -0.039 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](CC34CC([NH3+])(C3)C4)CC[C@@H]12 ZINC001235494538 1073478220 /nfs/dbraw/zinc/47/82/20/1073478220.db2.gz SYPBRNUSOZGYJZ-WQUXRXDGSA-N 2 1 426.583 -0.157 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC[C@@H]12 ZINC001235495177 1073477984 /nfs/dbraw/zinc/47/79/84/1073477984.db2.gz XGAOWEGYSYAEJN-QTVCLEQKSA-N 2 1 426.583 -0.573 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235545235 1073478967 /nfs/dbraw/zinc/47/89/67/1073478967.db2.gz ABCUNEMAQKNZMR-NRFANRHFSA-N 2 1 426.525 -0.398 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235545235 1073478958 /nfs/dbraw/zinc/47/89/58/1073478958.db2.gz ABCUNEMAQKNZMR-NRFANRHFSA-N 2 1 426.525 -0.398 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235545236 1073478938 /nfs/dbraw/zinc/47/89/38/1073478938.db2.gz ABCUNEMAQKNZMR-OAQYLSRUSA-N 2 1 426.525 -0.398 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235545236 1073478924 /nfs/dbraw/zinc/47/89/24/1073478924.db2.gz ABCUNEMAQKNZMR-OAQYLSRUSA-N 2 1 426.525 -0.398 20 0 IBADMP O=C(NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cnc4n3CC[NH2+]CC4)C2)O1)c1cnccn1 ZINC001235549877 1073478876 /nfs/dbraw/zinc/47/88/76/1073478876.db2.gz MJSCVNRCLDJHHE-AVRDEDQJSA-N 2 1 441.536 -0.001 20 0 IBADMP O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3cnc4n3CC[NH2+]CC4)C2)O1)c1cnccn1 ZINC001235549877 1073478868 /nfs/dbraw/zinc/47/88/68/1073478868.db2.gz MJSCVNRCLDJHHE-AVRDEDQJSA-N 2 1 441.536 -0.001 20 0 IBADMP O=C(NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3cnc4n3CC[NH2+]CC4)C2)O1)c1cnccn1 ZINC001235549881 1073478779 /nfs/dbraw/zinc/47/87/79/1073478779.db2.gz MJSCVNRCLDJHHE-GCJKJVERSA-N 2 1 441.536 -0.001 20 0 IBADMP O=C(NC[C@H]1CC[C@]2(COCC[N@H+](Cc3cnc4n3CC[NH2+]CC4)C2)O1)c1cnccn1 ZINC001235549881 1073478774 /nfs/dbraw/zinc/47/87/74/1073478774.db2.gz MJSCVNRCLDJHHE-GCJKJVERSA-N 2 1 441.536 -0.001 20 0 IBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)C1 ZINC001235579238 1073479691 /nfs/dbraw/zinc/47/96/91/1073479691.db2.gz CVWKASTWUDNMLZ-NQYYFHDYSA-N 2 1 427.542 -0.274 20 0 IBADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)C1 ZINC001235579238 1073479687 /nfs/dbraw/zinc/47/96/87/1073479687.db2.gz CVWKASTWUDNMLZ-NQYYFHDYSA-N 2 1 427.542 -0.274 20 0 IBADMP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236264402 1073481496 /nfs/dbraw/zinc/48/14/96/1073481496.db2.gz KQUCYMRTVVVDPF-ZFWWWQNUSA-N 2 1 426.468 -0.088 20 0 IBADMP COC(=O)[C@H](C[NH3+])NS(=O)(=O)c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC001238035268 1073482743 /nfs/dbraw/zinc/48/27/43/1073482743.db2.gz DPVRQFXNTLMJOC-ZDUSSCGKSA-N 2 1 433.918 -0.102 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3C[NH2+]C[C@H]3O)c(Cl)c2)CC1 ZINC001238155275 1073483534 /nfs/dbraw/zinc/48/35/34/1073483534.db2.gz FBEZGBVIIUXZCG-IUODEOHRSA-N 2 1 431.946 -0.022 20 0 IBADMP C[N@@H+](CCC[NH3+])CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238615595 1073489033 /nfs/dbraw/zinc/48/90/33/1073489033.db2.gz WZAOZVWVJINLEW-UHFFFAOYSA-N 2 1 434.584 -0.344 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3C[NH2+]C[C@@H]3CO)c(Cl)c2)CC1 ZINC001238642186 1073489167 /nfs/dbraw/zinc/48/91/67/1073489167.db2.gz QVHDKFMSRJNCPX-DOMZBBRYSA-N 2 1 431.946 -0.022 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3C[NH2+]C[C@@H]3CO)c(Cl)c2)CC1 ZINC001238642187 1073489201 /nfs/dbraw/zinc/48/92/01/1073489201.db2.gz QVHDKFMSRJNCPX-IUODEOHRSA-N 2 1 431.946 -0.022 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3C[NH2+]C[C@H]3CO)c(Cl)c2)CC1 ZINC001238642188 1073489079 /nfs/dbraw/zinc/48/90/79/1073489079.db2.gz QVHDKFMSRJNCPX-SWLSCSKDSA-N 2 1 431.946 -0.022 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3C[NH2+]C[C@H]3CO)c(Cl)c2)CC1 ZINC001238642191 1073489220 /nfs/dbraw/zinc/48/92/20/1073489220.db2.gz QVHDKFMSRJNCPX-WFASDCNBSA-N 2 1 431.946 -0.022 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCN3)c(Cl)c2)CC1 ZINC001238903904 1073490692 /nfs/dbraw/zinc/49/06/92/1073490692.db2.gz NPFXQEZSBUKUAY-AWEZNQCLSA-N 2 1 430.962 -0.041 20 0 IBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCN3)c(Cl)c2)CC1 ZINC001238903919 1073490649 /nfs/dbraw/zinc/49/06/49/1073490649.db2.gz NPFXQEZSBUKUAY-CQSZACIVSA-N 2 1 430.962 -0.041 20 0 IBADMP O=S(=O)(CC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)N1CC[NH2+]CC1 ZINC001245990015 1073499760 /nfs/dbraw/zinc/49/97/60/1073499760.db2.gz HZCMWUIRMBYBNF-DLBZAZTESA-N 2 1 430.481 -0.669 20 0 IBADMP O=S(=O)(CC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)N1CC[NH2+]CC1 ZINC001245990026 1073499772 /nfs/dbraw/zinc/49/97/72/1073499772.db2.gz HZCMWUIRMBYBNF-IAGOWNOFSA-N 2 1 430.481 -0.669 20 0 IBADMP O=S(=O)(CC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)N1CC[NH2+]CC1 ZINC001245990030 1073500519 /nfs/dbraw/zinc/50/05/19/1073500519.db2.gz HZCMWUIRMBYBNF-IRXDYDNUSA-N 2 1 430.481 -0.669 20 0 IBADMP O=S(=O)(CC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)N1CC[NH2+]CC1 ZINC001245990033 1073500382 /nfs/dbraw/zinc/50/03/82/1073500382.db2.gz HZCMWUIRMBYBNF-SJORKVTESA-N 2 1 430.481 -0.669 20 0 IBADMP [NH3+]CCOCCOCCOCCOCCNC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245990109 1073500292 /nfs/dbraw/zinc/50/02/92/1073500292.db2.gz OXTFZJGQQWMZIH-VQTJNVASSA-N 2 1 435.512 -0.190 20 0 IBADMP [NH3+]CCOCCOCCOCCOCCOCCNC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245994058 1073500636 /nfs/dbraw/zinc/50/06/36/1073500636.db2.gz OGDKDMMFOCYARP-FCHUYYIVSA-N 2 1 443.585 -0.451 20 0 IBADMP Cc1cn([C@H]2C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001246001535 1073500206 /nfs/dbraw/zinc/50/02/06/1073500206.db2.gz BHABNMRVAUHBCY-QXDIGNSFSA-N 2 1 440.447 -0.296 20 0 IBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@@]1(O)CC[NH2+]C1)CCC2 ZINC001246029407 1073501215 /nfs/dbraw/zinc/50/12/15/1073501215.db2.gz BIUQWQZJWLNWFE-BWAGFHJFSA-N 2 1 430.553 -0.422 20 0 IBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@]1(O)CC[NH2+]C1)CCC2 ZINC001246029420 1073501416 /nfs/dbraw/zinc/50/14/16/1073501416.db2.gz BIUQWQZJWLNWFE-NYVOZVTQSA-N 2 1 430.553 -0.422 20 0 IBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@@]1(O)CCC[NH2+]C1)CCC2 ZINC001246031285 1073501101 /nfs/dbraw/zinc/50/11/01/1073501101.db2.gz HUFLZZNLPKHQCD-PMOQBDJRSA-N 2 1 444.580 -0.032 20 0 IBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@]1(O)CCC[NH2+]C1)CCC2 ZINC001246031327 1073501061 /nfs/dbraw/zinc/50/10/61/1073501061.db2.gz HUFLZZNLPKHQCD-VJBMBRPKSA-N 2 1 444.580 -0.032 20 0 IBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](CC1(O)CC[NH2+]CC1)CCC2 ZINC001246035338 1073501338 /nfs/dbraw/zinc/50/13/38/1073501338.db2.gz SVVPLNVQWZBKRQ-CVDCTZTESA-N 2 1 444.580 -0.032 20 0 IBADMP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246035400 1073501435 /nfs/dbraw/zinc/50/14/35/1073501435.db2.gz GDDKGPXLYSYSOU-YDHSSHFGSA-N 2 1 446.596 -0.051 20 0 IBADMP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246035419 1073501167 /nfs/dbraw/zinc/50/11/67/1073501167.db2.gz GDDKGPXLYSYSOU-YYDVJCTNSA-N 2 1 446.596 -0.051 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@]3(O)CCC[NH2+]C3)CC[C@@H]12 ZINC001246039197 1073501355 /nfs/dbraw/zinc/50/13/55/1073501355.db2.gz WGVCXWUZWSTTCE-HOJAQTOUSA-N 2 1 444.598 -0.924 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@]3(O)CCC[NH2+]C3)CC[C@@H]12 ZINC001246039197 1073501350 /nfs/dbraw/zinc/50/13/50/1073501350.db2.gz WGVCXWUZWSTTCE-HOJAQTOUSA-N 2 1 444.598 -0.924 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@@]3(O)CCC[NH2+]C3)CC[C@@H]12 ZINC001246039201 1073501372 /nfs/dbraw/zinc/50/13/72/1073501372.db2.gz WGVCXWUZWSTTCE-RLLQIKCJSA-N 2 1 444.598 -0.924 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@@]3(O)CCC[NH2+]C3)CC[C@@H]12 ZINC001246039201 1073501366 /nfs/dbraw/zinc/50/13/66/1073501366.db2.gz WGVCXWUZWSTTCE-RLLQIKCJSA-N 2 1 444.598 -0.924 20 0 IBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039414 1073501273 /nfs/dbraw/zinc/50/12/73/1073501273.db2.gz IVGXTLLJFCMVCE-CTNGQTDRSA-N 2 1 431.537 -0.413 20 0 IBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039415 1073501880 /nfs/dbraw/zinc/50/18/80/1073501880.db2.gz IVGXTLLJFCMVCE-FPOVZHCZSA-N 2 1 431.537 -0.413 20 0 IBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039416 1073501970 /nfs/dbraw/zinc/50/19/70/1073501970.db2.gz IVGXTLLJFCMVCE-PZJWPPBQSA-N 2 1 431.537 -0.413 20 0 IBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039417 1073502215 /nfs/dbraw/zinc/50/22/15/1073502215.db2.gz IVGXTLLJFCMVCE-TZIWHRDSSA-N 2 1 431.537 -0.413 20 0 IBADMP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246039772 1073502077 /nfs/dbraw/zinc/50/20/77/1073502077.db2.gz JEZVWIGNXWVNCY-GOSISDBHSA-N 2 1 448.564 -0.029 20 0 IBADMP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246039775 1073501958 /nfs/dbraw/zinc/50/19/58/1073501958.db2.gz JEZVWIGNXWVNCY-SFHVURJKSA-N 2 1 448.564 -0.029 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](CC3(O)CC[NH2+]CC3)CC[C@@H]12 ZINC001246039801 1073502124 /nfs/dbraw/zinc/50/21/24/1073502124.db2.gz ZHMPPPBQVQEAAB-XLIONFOSSA-N 2 1 444.598 -0.924 20 0 IBADMP O=C(COCc1nnn2c1C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246040027 1073502097 /nfs/dbraw/zinc/50/20/97/1073502097.db2.gz OVCGAUGXSFFXCY-KRWDZBQOSA-N 2 1 436.557 -0.512 20 0 IBADMP O=C(COCc1nnn2c1C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246040027 1073502093 /nfs/dbraw/zinc/50/20/93/1073502093.db2.gz OVCGAUGXSFFXCY-KRWDZBQOSA-N 2 1 436.557 -0.512 20 0 IBADMP O=C(COCc1nnn2c1C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246040028 1073502067 /nfs/dbraw/zinc/50/20/67/1073502067.db2.gz OVCGAUGXSFFXCY-QGZVFWFLSA-N 2 1 436.557 -0.512 20 0 IBADMP O=C(COCc1nnn2c1C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246040028 1073502062 /nfs/dbraw/zinc/50/20/62/1073502062.db2.gz OVCGAUGXSFFXCY-QGZVFWFLSA-N 2 1 436.557 -0.512 20 0 IBADMP O=C(COC[C@H]1Cn2ccnc2C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040211 1073502172 /nfs/dbraw/zinc/50/21/72/1073502172.db2.gz GQFDFFOBEURLCX-MOPGFXCFSA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@H]1Cn2ccnc2C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040211 1073502163 /nfs/dbraw/zinc/50/21/63/1073502163.db2.gz GQFDFFOBEURLCX-MOPGFXCFSA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@@H]1Cn2ccnc2C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040216 1073501914 /nfs/dbraw/zinc/50/19/14/1073501914.db2.gz GQFDFFOBEURLCX-OALUTQOASA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@@H]1Cn2ccnc2C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040216 1073501906 /nfs/dbraw/zinc/50/19/06/1073501906.db2.gz GQFDFFOBEURLCX-OALUTQOASA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@@H]1Cn2ccnc2C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040219 1073502150 /nfs/dbraw/zinc/50/21/50/1073502150.db2.gz GQFDFFOBEURLCX-RBUKOAKNSA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@@H]1Cn2ccnc2C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040219 1073502139 /nfs/dbraw/zinc/50/21/39/1073502139.db2.gz GQFDFFOBEURLCX-RBUKOAKNSA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@H]1Cn2ccnc2C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040220 1073501932 /nfs/dbraw/zinc/50/19/32/1073501932.db2.gz GQFDFFOBEURLCX-RTBURBONSA-N 2 1 435.569 -0.181 20 0 IBADMP O=C(COC[C@H]1Cn2ccnc2C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040220 1073501927 /nfs/dbraw/zinc/50/19/27/1073501927.db2.gz GQFDFFOBEURLCX-RTBURBONSA-N 2 1 435.569 -0.181 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246040232 1073502032 /nfs/dbraw/zinc/50/20/32/1073502032.db2.gz MOKAPRYSMJAOOV-QZNHQXDQSA-N 2 1 440.548 -0.009 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246040232 1073502029 /nfs/dbraw/zinc/50/20/29/1073502029.db2.gz MOKAPRYSMJAOOV-QZNHQXDQSA-N 2 1 440.548 -0.009 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246040236 1073501945 /nfs/dbraw/zinc/50/19/45/1073501945.db2.gz MOKAPRYSMJAOOV-XJUOHMSHSA-N 2 1 440.548 -0.009 20 0 IBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246040236 1073501941 /nfs/dbraw/zinc/50/19/41/1073501941.db2.gz MOKAPRYSMJAOOV-XJUOHMSHSA-N 2 1 440.548 -0.009 20 0 IBADMP O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040409 1073502110 /nfs/dbraw/zinc/50/21/10/1073502110.db2.gz NWJNYJNVCYKPFJ-FGSXEWAUSA-N 2 1 449.552 -0.678 20 0 IBADMP O=C(NC[C@H]1CC[C@]2(COCC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040416 1073502011 /nfs/dbraw/zinc/50/20/11/1073502011.db2.gz NWJNYJNVCYKPFJ-HMFYCAOWSA-N 2 1 449.552 -0.678 20 0 IBADMP O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040417 1073502045 /nfs/dbraw/zinc/50/20/45/1073502045.db2.gz NWJNYJNVCYKPFJ-SPEDKVCISA-N 2 1 449.552 -0.678 20 0 IBADMP O=C(NC[C@H]1CC[C@]2(COCC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040419 1073502191 /nfs/dbraw/zinc/50/21/91/1073502191.db2.gz NWJNYJNVCYKPFJ-SVMVAKDDSA-N 2 1 449.552 -0.678 20 0 IBADMP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)CC[C@H]2S1(=O)=O ZINC001246041570 1073502795 /nfs/dbraw/zinc/50/27/95/1073502795.db2.gz AWNJFCXYCAAKGV-IYWMVGAKSA-N 2 1 438.594 -0.269 20 0 IBADMP Cn1cc(C(=O)NCc2cnc3n2CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC3)cn1 ZINC001246041862 1073502998 /nfs/dbraw/zinc/50/29/98/1073502998.db2.gz CVVUGBAZLUCZQR-GOSISDBHSA-N 2 1 431.541 -0.730 20 0 IBADMP Cn1cc(C(=O)NCc2cnc3n2CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC3)cn1 ZINC001246041863 1073502633 /nfs/dbraw/zinc/50/26/33/1073502633.db2.gz CVVUGBAZLUCZQR-SFHVURJKSA-N 2 1 431.541 -0.730 20 0 IBADMP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042162 1073502874 /nfs/dbraw/zinc/50/28/74/1073502874.db2.gz PPIBDDCKFXCCDK-AVRDEDQJSA-N 2 1 447.580 -0.039 20 0 IBADMP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042176 1073502734 /nfs/dbraw/zinc/50/27/34/1073502734.db2.gz PPIBDDCKFXCCDK-GCJKJVERSA-N 2 1 447.580 -0.039 20 0 IBADMP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042180 1073502979 /nfs/dbraw/zinc/50/29/79/1073502979.db2.gz PPIBDDCKFXCCDK-PGRDOPGGSA-N 2 1 447.580 -0.039 20 0 IBADMP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042183 1073503707 /nfs/dbraw/zinc/50/37/07/1073503707.db2.gz PPIBDDCKFXCCDK-XMSQKQJNSA-N 2 1 447.580 -0.039 20 0 IBADMP CN(C)C(=O)[C@]12C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246043618 1073503394 /nfs/dbraw/zinc/50/33/94/1073503394.db2.gz SPMPSVCEIUDBLH-JBYIUTFZSA-N 2 1 432.569 -0.299 20 0 IBADMP CN(C)C(=O)[C@]12C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246043624 1073503413 /nfs/dbraw/zinc/50/34/13/1073503413.db2.gz SPMPSVCEIUDBLH-NJNPRVFISA-N 2 1 432.569 -0.299 20 0 IBADMP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246044697 1073503845 /nfs/dbraw/zinc/50/38/45/1073503845.db2.gz PRKAPGQSQZCDEZ-KRWDZBQOSA-N 2 1 431.541 -0.730 20 0 IBADMP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246044699 1073503458 /nfs/dbraw/zinc/50/34/58/1073503458.db2.gz PRKAPGQSQZCDEZ-QGZVFWFLSA-N 2 1 431.541 -0.730 20 0 IBADMP O=C([C@@H]1C[C@H](N2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246052961 1073504281 /nfs/dbraw/zinc/50/42/81/1073504281.db2.gz NAUPIEFBFOMLOZ-BZSNNMDCSA-N 3 1 445.555 -0.932 20 0 IBADMP O=C([C@@H]1C[C@H](N2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246052974 1073504244 /nfs/dbraw/zinc/50/42/44/1073504244.db2.gz NAUPIEFBFOMLOZ-KSZLIROESA-N 3 1 445.555 -0.932 20 0 IBADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1C(=O)c1ccccc1 ZINC001246102962 1073504966 /nfs/dbraw/zinc/50/49/66/1073504966.db2.gz ULNDEOSIPHPUSP-MSOLQXFVSA-N 2 1 438.550 -0.343 20 0 IBADMP COC(=O)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1C(=O)c1ccccc1 ZINC001246102972 1073505245 /nfs/dbraw/zinc/50/52/45/1073505245.db2.gz ULNDEOSIPHPUSP-QZTJIDSGSA-N 2 1 438.550 -0.343 20 0 IBADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1C(=O)c1ccccc1 ZINC001246102974 1073505019 /nfs/dbraw/zinc/50/50/19/1073505019.db2.gz ULNDEOSIPHPUSP-ROUUACIJSA-N 2 1 438.550 -0.343 20 0 IBADMP COC(=O)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1C(=O)c1ccccc1 ZINC001246102978 1073505098 /nfs/dbraw/zinc/50/50/98/1073505098.db2.gz ULNDEOSIPHPUSP-ZWKOTPCHSA-N 2 1 438.550 -0.343 20 0 IBADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCS(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001246103070 1073505776 /nfs/dbraw/zinc/50/57/76/1073505776.db2.gz VBMBCMJVLJZMCW-UHFFFAOYSA-N 2 1 430.596 -0.027 20 0 IBADMP CC[C@]1(C(=O)OC)C[C@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C[NH2+]1 ZINC001246341875 1073508816 /nfs/dbraw/zinc/50/88/16/1073508816.db2.gz NIRACHDKVNTBBR-KPZWWZAWSA-N 2 1 440.526 -0.078 20 0 IBADMP CC[C@]1(C(=O)OC)C[C@@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C[NH2+]1 ZINC001246341880 1073508759 /nfs/dbraw/zinc/50/87/59/1073508759.db2.gz NIRACHDKVNTBBR-KZULUSFZSA-N 2 1 440.526 -0.078 20 0 IBADMP CC[C@@]1(C(=O)OC)C[C@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C[NH2+]1 ZINC001246341884 1073508592 /nfs/dbraw/zinc/50/85/92/1073508592.db2.gz NIRACHDKVNTBBR-SGTLLEGYSA-N 2 1 440.526 -0.078 20 0 IBADMP CC[C@@]1(C(=O)OC)C[C@@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C[NH2+]1 ZINC001246341886 1073508698 /nfs/dbraw/zinc/50/86/98/1073508698.db2.gz NIRACHDKVNTBBR-XIKOKIGWSA-N 2 1 440.526 -0.078 20 0 IBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246346079 1073509306 /nfs/dbraw/zinc/50/93/06/1073509306.db2.gz PZKCKHCJCLBZBM-AERCQKQUSA-N 2 1 433.590 -0.083 20 0 IBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246346093 1073509470 /nfs/dbraw/zinc/50/94/70/1073509470.db2.gz PZKCKHCJCLBZBM-WCRBZPEASA-N 2 1 433.590 -0.083 20 0 IBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246346096 1073509427 /nfs/dbraw/zinc/50/94/27/1073509427.db2.gz PZKCKHCJCLBZBM-WKCHPHFGSA-N 2 1 433.590 -0.083 20 0 IBADMP CC(C)(C)OC(=O)[C@@H]1C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246372719 1073510067 /nfs/dbraw/zinc/51/00/67/1073510067.db2.gz DMMGDLSUQKDJNG-JZRPKSSGSA-N 2 1 435.485 -0.973 20 0 IBADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246372725 1073510088 /nfs/dbraw/zinc/51/00/88/1073510088.db2.gz DMMGDLSUQKDJNG-KSSYENDESA-N 2 1 435.485 -0.973 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246484233 1073511690 /nfs/dbraw/zinc/51/16/90/1073511690.db2.gz FKOYRJXHHOODFC-BCYZHJNNSA-N 3 1 438.617 -0.169 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246484242 1073511677 /nfs/dbraw/zinc/51/16/77/1073511677.db2.gz FKOYRJXHHOODFC-GFEQUFNTSA-N 3 1 438.617 -0.169 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246484244 1073511630 /nfs/dbraw/zinc/51/16/30/1073511630.db2.gz FKOYRJXHHOODFC-PJVZLEMVSA-N 3 1 438.617 -0.169 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246484245 1073511552 /nfs/dbraw/zinc/51/15/52/1073511552.db2.gz FKOYRJXHHOODFC-VMXHOPILSA-N 3 1 438.617 -0.169 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[NH2+]CC1)C(N)=O ZINC001246484456 1073511597 /nfs/dbraw/zinc/51/15/97/1073511597.db2.gz HAYLTNKLAFHGQA-VJANTYMQSA-N 3 1 438.617 -0.167 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[NH2+]CC1)C(N)=O ZINC001246484458 1073511665 /nfs/dbraw/zinc/51/16/65/1073511665.db2.gz HAYLTNKLAFHGQA-XWSJACJDSA-N 3 1 438.617 -0.167 20 0 IBADMP C[NH2+]CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484741 1073511658 /nfs/dbraw/zinc/51/16/58/1073511658.db2.gz IVBUFGWIXXTHMP-OWSLCNJRSA-N 3 1 426.606 -0.311 20 0 IBADMP C[NH2+]CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484742 1073511608 /nfs/dbraw/zinc/51/16/08/1073511608.db2.gz IVBUFGWIXXTHMP-XSLAGTTESA-N 3 1 426.606 -0.311 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)C(N)=O ZINC001246487928 1073512321 /nfs/dbraw/zinc/51/23/21/1073512321.db2.gz SSGQTCCFIJNCNK-GUZBNGIKSA-N 3 1 448.612 -0.250 20 0 IBADMP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1O ZINC001246491368 1073511996 /nfs/dbraw/zinc/51/19/96/1073511996.db2.gz PNHIUVGYQZXTJY-AEKGVMIASA-N 2 1 439.520 -0.019 20 0 IBADMP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1O ZINC001246491370 1073512418 /nfs/dbraw/zinc/51/24/18/1073512418.db2.gz PNHIUVGYQZXTJY-GEPIVXHASA-N 2 1 439.520 -0.019 20 0 IBADMP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1O ZINC001246491371 1073512159 /nfs/dbraw/zinc/51/21/59/1073512159.db2.gz PNHIUVGYQZXTJY-NUFAXREYSA-N 2 1 439.520 -0.019 20 0 IBADMP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1O ZINC001246491372 1073512344 /nfs/dbraw/zinc/51/23/44/1073512344.db2.gz PNHIUVGYQZXTJY-VKKORBSLSA-N 2 1 439.520 -0.019 20 0 IBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246628773 1073513683 /nfs/dbraw/zinc/51/36/83/1073513683.db2.gz OTJWQXZYDCXNHL-IVZQSRNASA-N 2 1 443.552 -0.596 20 0 IBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246628784 1073514125 /nfs/dbraw/zinc/51/41/25/1073514125.db2.gz OTJWQXZYDCXNHL-NYHFZMIOSA-N 2 1 443.552 -0.596 20 0 IBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246628800 1073514376 /nfs/dbraw/zinc/51/43/76/1073514376.db2.gz OTJWQXZYDCXNHL-OYHNWAKOSA-N 2 1 443.552 -0.596 20 0 IBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246628802 1073514335 /nfs/dbraw/zinc/51/43/35/1073514335.db2.gz OTJWQXZYDCXNHL-QRQCRPRQSA-N 2 1 443.552 -0.596 20 0 IBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246630587 1073514308 /nfs/dbraw/zinc/51/43/08/1073514308.db2.gz TWFABOPIEJQHDU-HNNXBMFYSA-N 2 1 431.541 -0.454 20 0 IBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246630588 1073514570 /nfs/dbraw/zinc/51/45/70/1073514570.db2.gz TWFABOPIEJQHDU-OAHLLOKOSA-N 2 1 431.541 -0.454 20 0 IBADMP COCCN1CC[N@@H+](C)C2(CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246690805 1073515363 /nfs/dbraw/zinc/51/53/63/1073515363.db2.gz SFLRTOHNPYFJOH-IRXDYDNUSA-N 2 1 425.599 -0.495 20 0 IBADMP COCCN1CC[N@H+](C)C2(CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246690805 1073515355 /nfs/dbraw/zinc/51/53/55/1073515355.db2.gz SFLRTOHNPYFJOH-IRXDYDNUSA-N 2 1 425.599 -0.495 20 0 IBADMP COCCN1CC[N@@H+](C)C2(CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246690807 1073515142 /nfs/dbraw/zinc/51/51/42/1073515142.db2.gz SFLRTOHNPYFJOH-SJORKVTESA-N 2 1 425.599 -0.495 20 0 IBADMP COCCN1CC[N@H+](C)C2(CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246690807 1073515131 /nfs/dbraw/zinc/51/51/31/1073515131.db2.gz SFLRTOHNPYFJOH-SJORKVTESA-N 2 1 425.599 -0.495 20 0 IBADMP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246692209 1073515184 /nfs/dbraw/zinc/51/51/84/1073515184.db2.gz GCOZXAUADYKOQM-HRCADAONSA-N 2 1 437.591 -0.143 20 0 IBADMP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246692218 1073515025 /nfs/dbraw/zinc/51/50/25/1073515025.db2.gz GCOZXAUADYKOQM-OWCLPIDISA-N 2 1 437.591 -0.143 20 0 IBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692950 1073515336 /nfs/dbraw/zinc/51/53/36/1073515336.db2.gz XATUAFYPCGIWBC-HTAPYJJXSA-N 2 1 427.553 -0.050 20 0 IBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692971 1073515211 /nfs/dbraw/zinc/51/52/11/1073515211.db2.gz XATUAFYPCGIWBC-JTSKRJEESA-N 2 1 427.553 -0.050 20 0 IBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692976 1073515076 /nfs/dbraw/zinc/51/50/76/1073515076.db2.gz XATUAFYPCGIWBC-VGOFRKELSA-N 2 1 427.553 -0.050 20 0 IBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692980 1073515411 /nfs/dbraw/zinc/51/54/11/1073515411.db2.gz XATUAFYPCGIWBC-VGSWGCGISA-N 2 1 427.553 -0.050 20 0 IBADMP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246705839 1073516016 /nfs/dbraw/zinc/51/60/16/1073516016.db2.gz KKWVNQLXTCWJOT-IXDOHACOSA-N 2 1 434.566 -0.897 20 0 IBADMP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246705845 1073515960 /nfs/dbraw/zinc/51/59/60/1073515960.db2.gz KKWVNQLXTCWJOT-YESZJQIVSA-N 2 1 434.566 -0.897 20 0 IBADMP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246705927 1073515887 /nfs/dbraw/zinc/51/58/87/1073515887.db2.gz ZJGDWHPGXOPDGK-BOSXTWCSSA-N 2 1 426.583 -0.022 20 0 IBADMP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246705943 1073516429 /nfs/dbraw/zinc/51/64/29/1073516429.db2.gz ZJGDWHPGXOPDGK-CLWJZODNSA-N 2 1 426.583 -0.022 20 0 IBADMP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246705944 1073516820 /nfs/dbraw/zinc/51/68/20/1073516820.db2.gz ZJGDWHPGXOPDGK-WWNBULGVSA-N 2 1 426.583 -0.022 20 0 IBADMP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246705946 1073516786 /nfs/dbraw/zinc/51/67/86/1073516786.db2.gz ZJGDWHPGXOPDGK-YLAKUSLOSA-N 2 1 426.583 -0.022 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[C@@H]12 ZINC001246706486 1073516846 /nfs/dbraw/zinc/51/68/46/1073516846.db2.gz VGMSGYBLGVQKQO-CWVBCOCOSA-N 2 1 440.610 -0.041 20 0 IBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC[C@@H]12 ZINC001246706489 1073516627 /nfs/dbraw/zinc/51/66/27/1073516627.db2.gz VGMSGYBLGVQKQO-HZVKZAKPSA-N 2 1 440.610 -0.041 20 0 IBADMP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@@H]3CCOC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246711045 1073516964 /nfs/dbraw/zinc/51/69/64/1073516964.db2.gz YMOUEEYJNZBQFD-IXDOHACOSA-N 2 1 435.550 -0.470 20 0 IBADMP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@H]3CCOC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246711046 1073516673 /nfs/dbraw/zinc/51/66/73/1073516673.db2.gz YMOUEEYJNZBQFD-YESZJQIVSA-N 2 1 435.550 -0.470 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713194 1073516520 /nfs/dbraw/zinc/51/65/20/1073516520.db2.gz YPNNDUDTCZFJQN-ABSDTBQOSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713194 1073516513 /nfs/dbraw/zinc/51/65/13/1073516513.db2.gz YPNNDUDTCZFJQN-ABSDTBQOSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713195 1073516911 /nfs/dbraw/zinc/51/69/11/1073516911.db2.gz YPNNDUDTCZFJQN-FUHIMQAGSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713195 1073516901 /nfs/dbraw/zinc/51/69/01/1073516901.db2.gz YPNNDUDTCZFJQN-FUHIMQAGSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713196 1073517032 /nfs/dbraw/zinc/51/70/32/1073517032.db2.gz YPNNDUDTCZFJQN-UWVAXJGDSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713196 1073517021 /nfs/dbraw/zinc/51/70/21/1073517021.db2.gz YPNNDUDTCZFJQN-UWVAXJGDSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713197 1073516884 /nfs/dbraw/zinc/51/68/84/1073516884.db2.gz YPNNDUDTCZFJQN-ZWOKBUDYSA-N 2 1 425.599 -0.590 20 0 IBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246713197 1073516871 /nfs/dbraw/zinc/51/68/71/1073516871.db2.gz YPNNDUDTCZFJQN-ZWOKBUDYSA-N 2 1 425.599 -0.590 20 0 IBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC[C@@H]2C1 ZINC001246724026 1073517665 /nfs/dbraw/zinc/51/76/65/1073517665.db2.gz WLSJXAKFCHMXJS-VSZNYVQBSA-N 2 1 425.599 -0.639 20 0 IBADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC[C@@H]2C1 ZINC001246724029 1073517518 /nfs/dbraw/zinc/51/75/18/1073517518.db2.gz WLSJXAKFCHMXJS-ZJPYXAASSA-N 2 1 425.599 -0.639 20 0 IBADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@@H]21)N1CCOCC1 ZINC001246726629 1073518614 /nfs/dbraw/zinc/51/86/14/1073518614.db2.gz SKZRFYJNLZTVOC-KJBWJIBOSA-N 2 1 441.594 -0.119 20 0 IBADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@@H]21)N1CCOCC1 ZINC001246726632 1073517970 /nfs/dbraw/zinc/51/79/70/1073517970.db2.gz SKZRFYJNLZTVOC-LWLVAEKPSA-N 2 1 441.594 -0.119 20 0 IBADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246728013 1073518446 /nfs/dbraw/zinc/51/84/46/1073518446.db2.gz JIDQFDILOZEOIR-MSOLQXFVSA-N 3 1 438.642 -0.580 20 0 IBADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246728013 1073518436 /nfs/dbraw/zinc/51/84/36/1073518436.db2.gz JIDQFDILOZEOIR-MSOLQXFVSA-N 3 1 438.642 -0.580 20 0 IBADMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246728014 1073518370 /nfs/dbraw/zinc/51/83/70/1073518370.db2.gz JIDQFDILOZEOIR-ROUUACIJSA-N 3 1 438.642 -0.580 20 0 IBADMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1=O ZINC001246728014 1073518359 /nfs/dbraw/zinc/51/83/59/1073518359.db2.gz JIDQFDILOZEOIR-ROUUACIJSA-N 3 1 438.642 -0.580 20 0 IBADMP CS(=O)(=O)N(Cc1cc(=O)n2c(n1)C[NH2+]CCC2)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246752732 1073520960 /nfs/dbraw/zinc/52/09/60/1073520960.db2.gz IVAXQTITBCRQLA-UHFFFAOYSA-N 2 1 425.555 -0.201 20 0 IBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246757289 1073521957 /nfs/dbraw/zinc/52/19/57/1073521957.db2.gz YMJLHAZBMURRBP-MSOLQXFVSA-N 2 1 439.626 -0.248 20 0 IBADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246757292 1073521847 /nfs/dbraw/zinc/52/18/47/1073521847.db2.gz YMJLHAZBMURRBP-ROUUACIJSA-N 2 1 439.626 -0.248 20 0 IBADMP C[NH+]1CCN(c2ncnc3c2CCN([C@H]2C[NH2+][C@H](C(=O)N4CCSC4)C2)CC3)CC1 ZINC001246766608 1073523270 /nfs/dbraw/zinc/52/32/70/1073523270.db2.gz OAEQIJHGENNLBP-APWZRJJASA-N 2 1 431.610 -0.108 20 0 IBADMP C[NH+]1CCN(c2ncnc3c2CCN([C@@H]2C[NH2+][C@H](C(=O)N4CCSC4)C2)CC3)CC1 ZINC001246766609 1073523297 /nfs/dbraw/zinc/52/32/97/1073523297.db2.gz OAEQIJHGENNLBP-LPHOPBHVSA-N 2 1 431.610 -0.108 20 0 IBADMP O=c1cc(CN([C@@H]2CSC3(C[NH2+]C3)C2)S(=O)(=O)C2CC2)nc2n1CCC[NH2+]C2 ZINC001246766756 1073523834 /nfs/dbraw/zinc/52/38/34/1073523834.db2.gz NWNAXJQLJNXFEH-AWEZNQCLSA-N 2 1 425.580 -0.122 20 0 IBADMP O=c1cc(CN([C@H]2CSC3(C[NH2+]C3)C2)S(=O)(=O)C2CC2)nc2n1CCC[NH2+]C2 ZINC001246766764 1073523856 /nfs/dbraw/zinc/52/38/56/1073523856.db2.gz NWNAXJQLJNXFEH-CQSZACIVSA-N 2 1 425.580 -0.122 20 0 IBADMP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CCC2 ZINC001246769473 1073523739 /nfs/dbraw/zinc/52/37/39/1073523739.db2.gz INOWOILBJHXBOX-HNNXBMFYSA-N 2 1 429.550 -0.040 20 0 IBADMP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CSC3(C[NH2+]C3)C1)CCC2 ZINC001246769480 1073523644 /nfs/dbraw/zinc/52/36/44/1073523644.db2.gz INOWOILBJHXBOX-OAHLLOKOSA-N 2 1 429.550 -0.040 20 0 IBADMP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246771496 1073524622 /nfs/dbraw/zinc/52/46/22/1073524622.db2.gz NJBLGHILCAQDCG-INIZCTEOSA-N 2 1 426.525 -0.794 20 0 IBADMP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246771508 1073524294 /nfs/dbraw/zinc/52/42/94/1073524294.db2.gz NJBLGHILCAQDCG-MRXNPFEDSA-N 2 1 426.525 -0.794 20 0 IBADMP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CCC2 ZINC001246773288 1073524322 /nfs/dbraw/zinc/52/43/22/1073524322.db2.gz VAOBVRJGRBRLSU-INIZCTEOSA-N 2 1 427.509 -0.367 20 0 IBADMP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CCC2 ZINC001246773289 1073524508 /nfs/dbraw/zinc/52/45/08/1073524508.db2.gz VAOBVRJGRBRLSU-MRXNPFEDSA-N 2 1 427.509 -0.367 20 0 IBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246820254 1073525055 /nfs/dbraw/zinc/52/50/55/1073525055.db2.gz JQNZEBCAONAFAV-KRWDZBQOSA-N 2 1 434.589 -0.923 20 0 IBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246820269 1073525090 /nfs/dbraw/zinc/52/50/90/1073525090.db2.gz JQNZEBCAONAFAV-QGZVFWFLSA-N 2 1 434.589 -0.923 20 0 IBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2)C(=O)NCC(N)=O ZINC001246830930 1073524963 /nfs/dbraw/zinc/52/49/63/1073524963.db2.gz JDPXWYGYRQWENT-RKQJOMJXSA-N 2 1 437.585 -0.116 20 0 IBADMP CC[C@@]1(C(=O)OC)C[C@H](N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]1 ZINC001246909169 1073526028 /nfs/dbraw/zinc/52/60/28/1073526028.db2.gz DUNCGPLDWZGTFU-BOSXTWCSSA-N 2 1 443.539 -0.114 20 0 IBADMP CC[C@@]1(C(=O)OC)C[C@@H](N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]1 ZINC001246909170 1073526056 /nfs/dbraw/zinc/52/60/56/1073526056.db2.gz DUNCGPLDWZGTFU-CLWJZODNSA-N 2 1 443.539 -0.114 20 0 IBADMP CC[C@]1(C(=O)OC)C[C@H](N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]1 ZINC001246909171 1073525821 /nfs/dbraw/zinc/52/58/21/1073525821.db2.gz DUNCGPLDWZGTFU-OGNFBWPZSA-N 2 1 443.539 -0.114 20 0 IBADMP CC[C@]1(C(=O)OC)C[C@@H](N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]1 ZINC001246909172 1073525848 /nfs/dbraw/zinc/52/58/48/1073525848.db2.gz DUNCGPLDWZGTFU-PFRQMTDMSA-N 2 1 443.539 -0.114 20 0 IBADMP CCOC(=O)[C@@H]1C[C@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001246914730 1073525903 /nfs/dbraw/zinc/52/59/03/1073525903.db2.gz APNZNQYTILQFNP-OWSLCNJRSA-N 2 1 443.539 -0.114 20 0 IBADMP CCOC(=O)[C@@H]1C[C@@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001246914734 1073525609 /nfs/dbraw/zinc/52/56/09/1073525609.db2.gz APNZNQYTILQFNP-XSLAGTTESA-N 2 1 443.539 -0.114 20 0 IBADMP CS(=O)(=O)N1CCC([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001246917960 1073525765 /nfs/dbraw/zinc/52/57/65/1073525765.db2.gz PFBVMSVKWHPCSL-IRXDYDNUSA-N 2 1 449.568 -0.374 20 0 IBADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001246918019 1073525655 /nfs/dbraw/zinc/52/56/55/1073525655.db2.gz RAEKDIWFRKWKOE-QAETUUGQSA-N 2 1 429.512 -0.504 20 0 IBADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001246918020 1073525977 /nfs/dbraw/zinc/52/59/77/1073525977.db2.gz RAEKDIWFRKWKOE-QZWWFDLISA-N 2 1 429.512 -0.504 20 0 IBADMP O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC001254051483 1073575617 /nfs/dbraw/zinc/57/56/17/1073575617.db2.gz MWKJAFPQCGAKDS-VBSBHUPXSA-N 2 1 446.504 -0.815 20 0 IBADMP C[N@H+]1CCC[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515113 1073587477 /nfs/dbraw/zinc/58/74/77/1073587477.db2.gz SYWDCAPUYZKYJR-FHWLQOOXSA-N 2 1 431.585 -0.095 20 0 IBADMP C[N@@H+]1CCC[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515113 1073587464 /nfs/dbraw/zinc/58/74/64/1073587464.db2.gz SYWDCAPUYZKYJR-FHWLQOOXSA-N 2 1 431.585 -0.095 20 0 IBADMP C[N@H+]1CCC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515113 1073587454 /nfs/dbraw/zinc/58/74/54/1073587454.db2.gz SYWDCAPUYZKYJR-FHWLQOOXSA-N 3 1 431.585 -0.095 20 0 IBADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515114 1073587850 /nfs/dbraw/zinc/58/78/50/1073587850.db2.gz SYWDCAPUYZKYJR-QYZOEREBSA-N 2 1 431.585 -0.095 20 0 IBADMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515114 1073587839 /nfs/dbraw/zinc/58/78/39/1073587839.db2.gz SYWDCAPUYZKYJR-QYZOEREBSA-N 2 1 431.585 -0.095 20 0 IBADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515114 1073587837 /nfs/dbraw/zinc/58/78/37/1073587837.db2.gz SYWDCAPUYZKYJR-QYZOEREBSA-N 3 1 431.585 -0.095 20 0 IBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641151 1073588575 /nfs/dbraw/zinc/58/85/75/1073588575.db2.gz FMLPQVQBOGCLDT-IRFCIJBXSA-N 2 1 425.574 -0.692 20 0 IBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641151 1073588565 /nfs/dbraw/zinc/58/85/65/1073588565.db2.gz FMLPQVQBOGCLDT-IRFCIJBXSA-N 2 1 425.574 -0.692 20 0 IBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001254641151 1073588559 /nfs/dbraw/zinc/58/85/59/1073588559.db2.gz FMLPQVQBOGCLDT-IRFCIJBXSA-N 2 1 425.574 -0.692 20 0 IBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641152 1073588201 /nfs/dbraw/zinc/58/82/01/1073588201.db2.gz FMLPQVQBOGCLDT-SVFBPWRDSA-N 2 1 425.574 -0.692 20 0 IBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641152 1073588184 /nfs/dbraw/zinc/58/81/84/1073588184.db2.gz FMLPQVQBOGCLDT-SVFBPWRDSA-N 2 1 425.574 -0.692 20 0 IBADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001254641152 1073588173 /nfs/dbraw/zinc/58/81/73/1073588173.db2.gz FMLPQVQBOGCLDT-SVFBPWRDSA-N 2 1 425.574 -0.692 20 0 IBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001254642516 1073589411 /nfs/dbraw/zinc/58/94/11/1073589411.db2.gz RRWLPIUFSYEYIH-FQEVSTJZSA-N 2 1 436.601 -0.267 20 0 IBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001254642517 1073588959 /nfs/dbraw/zinc/58/89/59/1073588959.db2.gz RRWLPIUFSYEYIH-HXUWFJFHSA-N 2 1 436.601 -0.267 20 0 IBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001254642801 1073589358 /nfs/dbraw/zinc/58/93/58/1073589358.db2.gz SOPDVBHLZXMHKY-PMACEKPBSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001254642801 1073589348 /nfs/dbraw/zinc/58/93/48/1073589348.db2.gz SOPDVBHLZXMHKY-PMACEKPBSA-N 2 1 436.601 -0.269 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642801 1073589333 /nfs/dbraw/zinc/58/93/33/1073589333.db2.gz SOPDVBHLZXMHKY-PMACEKPBSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001254642803 1073589288 /nfs/dbraw/zinc/58/92/88/1073589288.db2.gz SOPDVBHLZXMHKY-UXHICEINSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001254642803 1073589280 /nfs/dbraw/zinc/58/92/80/1073589280.db2.gz SOPDVBHLZXMHKY-UXHICEINSA-N 2 1 436.601 -0.269 20 0 IBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642803 1073589273 /nfs/dbraw/zinc/58/92/73/1073589273.db2.gz SOPDVBHLZXMHKY-UXHICEINSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001254642804 1073589158 /nfs/dbraw/zinc/58/91/58/1073589158.db2.gz SOPDVBHLZXMHKY-VQTJNVASSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001254642804 1073589148 /nfs/dbraw/zinc/58/91/48/1073589148.db2.gz SOPDVBHLZXMHKY-VQTJNVASSA-N 2 1 436.601 -0.269 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642804 1073589131 /nfs/dbraw/zinc/58/91/31/1073589131.db2.gz SOPDVBHLZXMHKY-VQTJNVASSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001254642805 1073589028 /nfs/dbraw/zinc/58/90/28/1073589028.db2.gz SOPDVBHLZXMHKY-WOJBJXKFSA-N 2 1 436.601 -0.269 20 0 IBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001254642805 1073589016 /nfs/dbraw/zinc/58/90/16/1073589016.db2.gz SOPDVBHLZXMHKY-WOJBJXKFSA-N 2 1 436.601 -0.269 20 0 IBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642805 1073589002 /nfs/dbraw/zinc/58/90/02/1073589002.db2.gz SOPDVBHLZXMHKY-WOJBJXKFSA-N 2 1 436.601 -0.269 20 0 IBADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853146 1073591806 /nfs/dbraw/zinc/59/18/06/1073591806.db2.gz WHWRITWCEWICSK-AABGKKOBSA-N 2 1 443.596 -0.095 20 0 IBADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254853148 1073591672 /nfs/dbraw/zinc/59/16/72/1073591672.db2.gz WHWRITWCEWICSK-UFYCRDLUSA-N 2 1 443.596 -0.095 20 0 IBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255099843 1073593588 /nfs/dbraw/zinc/59/35/88/1073593588.db2.gz MQOSNQGORYAVJA-CFGWQNJFSA-N 2 1 441.492 -0.800 20 0 IBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255099849 1073593533 /nfs/dbraw/zinc/59/35/33/1073593533.db2.gz MQOSNQGORYAVJA-MGCCTARWSA-N 2 1 441.492 -0.800 20 0 IBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC1CC[NH+](C)CC1)C(N)=O ZINC001256201267 1073601939 /nfs/dbraw/zinc/60/19/39/1073601939.db2.gz BBGCMCMTSMYXOT-FHWLQOOXSA-N 2 1 438.617 -0.215 20 0 IBADMP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1C1CCC([NH+]2CCOCC2)CC1 ZINC001256680805 1073608284 /nfs/dbraw/zinc/60/82/84/1073608284.db2.gz DPKXHGIECVOCAU-UIEKQHFFSA-N 2 1 433.513 -0.402 20 0 IBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900538 1073608830 /nfs/dbraw/zinc/60/88/30/1073608830.db2.gz OQEQFDLNWYAOPO-AOVUVUSJSA-N 2 1 433.513 -0.667 20 0 IBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900539 1073608964 /nfs/dbraw/zinc/60/89/64/1073608964.db2.gz OQEQFDLNWYAOPO-PBOZHIJLSA-N 2 1 433.513 -0.667 20 0 IBADMP [NH3+][C@H]1[C@H](n2ccc(NC3CC[NH+](CCc4ccccc4)CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001258135756 1073617549 /nfs/dbraw/zinc/61/75/49/1073617549.db2.gz CEGMIGDTSLYRJO-CWJKEVGVSA-N 2 1 429.521 -0.226 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288411219 1073704585 /nfs/dbraw/zinc/70/45/85/1073704585.db2.gz DFLHAKIDHISOFR-DYESRHJHSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001288411219 1073704577 /nfs/dbraw/zinc/70/45/77/1073704577.db2.gz DFLHAKIDHISOFR-DYESRHJHSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288411220 1073704483 /nfs/dbraw/zinc/70/44/83/1073704483.db2.gz DFLHAKIDHISOFR-LAUBAEHRSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001288411220 1073704474 /nfs/dbraw/zinc/70/44/74/1073704474.db2.gz DFLHAKIDHISOFR-LAUBAEHRSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288411221 1073704638 /nfs/dbraw/zinc/70/46/38/1073704638.db2.gz DFLHAKIDHISOFR-UTKZUKDTSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001288411221 1073704631 /nfs/dbraw/zinc/70/46/31/1073704631.db2.gz DFLHAKIDHISOFR-UTKZUKDTSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288411222 1073704524 /nfs/dbraw/zinc/70/45/24/1073704524.db2.gz DFLHAKIDHISOFR-UWJYYQICSA-N 2 1 435.573 -0.157 20 0 IBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001288411222 1073704515 /nfs/dbraw/zinc/70/45/15/1073704515.db2.gz DFLHAKIDHISOFR-UWJYYQICSA-N 2 1 435.573 -0.157 20 0 IBADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001288809035 1073712334 /nfs/dbraw/zinc/71/23/34/1073712334.db2.gz PYKXQEWQAOPTSR-LUKYLMHMSA-N 2 1 443.618 -0.005 20 0 IBADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001288809036 1073712364 /nfs/dbraw/zinc/71/23/64/1073712364.db2.gz PYKXQEWQAOPTSR-QAETUUGQSA-N 2 1 443.618 -0.005 20 0 IBADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001288809037 1073712494 /nfs/dbraw/zinc/71/24/94/1073712494.db2.gz PYKXQEWQAOPTSR-VVLHAWIVSA-N 2 1 443.618 -0.005 20 0 IBADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001288809038 1073712573 /nfs/dbraw/zinc/71/25/73/1073712573.db2.gz PYKXQEWQAOPTSR-YVSFHVDLSA-N 2 1 443.618 -0.005 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870361 1073717829 /nfs/dbraw/zinc/71/78/29/1073717829.db2.gz OXMNZGMRGJOKAO-DLBZAZTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870361 1073717821 /nfs/dbraw/zinc/71/78/21/1073717821.db2.gz OXMNZGMRGJOKAO-DLBZAZTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001288870361 1073717813 /nfs/dbraw/zinc/71/78/13/1073717813.db2.gz OXMNZGMRGJOKAO-DLBZAZTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870361 1073717805 /nfs/dbraw/zinc/71/78/05/1073717805.db2.gz OXMNZGMRGJOKAO-DLBZAZTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870362 1073718548 /nfs/dbraw/zinc/71/85/48/1073718548.db2.gz OXMNZGMRGJOKAO-IAGOWNOFSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870362 1073718543 /nfs/dbraw/zinc/71/85/43/1073718543.db2.gz OXMNZGMRGJOKAO-IAGOWNOFSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001288870362 1073718537 /nfs/dbraw/zinc/71/85/37/1073718537.db2.gz OXMNZGMRGJOKAO-IAGOWNOFSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870362 1073718532 /nfs/dbraw/zinc/71/85/32/1073718532.db2.gz OXMNZGMRGJOKAO-IAGOWNOFSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870363 1073718624 /nfs/dbraw/zinc/71/86/24/1073718624.db2.gz OXMNZGMRGJOKAO-IRXDYDNUSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870363 1073718620 /nfs/dbraw/zinc/71/86/20/1073718620.db2.gz OXMNZGMRGJOKAO-IRXDYDNUSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001288870363 1073718613 /nfs/dbraw/zinc/71/86/13/1073718613.db2.gz OXMNZGMRGJOKAO-IRXDYDNUSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870363 1073718610 /nfs/dbraw/zinc/71/86/10/1073718610.db2.gz OXMNZGMRGJOKAO-IRXDYDNUSA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870364 1073718450 /nfs/dbraw/zinc/71/84/50/1073718450.db2.gz OXMNZGMRGJOKAO-SJORKVTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CC=CCC1 ZINC001288870364 1073718446 /nfs/dbraw/zinc/71/84/46/1073718446.db2.gz OXMNZGMRGJOKAO-SJORKVTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001288870364 1073718440 /nfs/dbraw/zinc/71/84/40/1073718440.db2.gz OXMNZGMRGJOKAO-SJORKVTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870364 1073718434 /nfs/dbraw/zinc/71/84/34/1073718434.db2.gz OXMNZGMRGJOKAO-SJORKVTESA-N 2 1 439.586 -0.329 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288873309 1073719498 /nfs/dbraw/zinc/71/94/98/1073719498.db2.gz ZDFWDUVHNSFHMM-BEFAXECRSA-N 2 1 441.602 -0.513 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288873310 1073719619 /nfs/dbraw/zinc/71/96/19/1073719619.db2.gz ZDFWDUVHNSFHMM-DNVCBOLYSA-N 2 1 441.602 -0.513 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288873311 1073719568 /nfs/dbraw/zinc/71/95/68/1073719568.db2.gz ZDFWDUVHNSFHMM-HNAYVOBHSA-N 2 1 441.602 -0.513 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288873312 1073719638 /nfs/dbraw/zinc/71/96/38/1073719638.db2.gz ZDFWDUVHNSFHMM-KXBFYZLASA-N 2 1 441.602 -0.513 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001290939613 1073734776 /nfs/dbraw/zinc/73/47/76/1073734776.db2.gz RNTVZKUYINKWGX-KRWDZBQOSA-N 2 1 428.599 -0.008 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001290939614 1073735035 /nfs/dbraw/zinc/73/50/35/1073735035.db2.gz RNTVZKUYINKWGX-QGZVFWFLSA-N 2 1 428.599 -0.008 20 0 IBADMP Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001292314926 1073748344 /nfs/dbraw/zinc/74/83/44/1073748344.db2.gz WNMDSKHPABSWPA-UHFFFAOYSA-N 2 1 434.522 -0.421 20 0 IBADMP CC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032845 1073777969 /nfs/dbraw/zinc/77/79/69/1073777969.db2.gz FNXJTYZYYWRVQR-DLBZAZTESA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032845 1073777960 /nfs/dbraw/zinc/77/79/60/1073777960.db2.gz FNXJTYZYYWRVQR-DLBZAZTESA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032846 1073777785 /nfs/dbraw/zinc/77/77/85/1073777785.db2.gz FNXJTYZYYWRVQR-IAGOWNOFSA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032846 1073777780 /nfs/dbraw/zinc/77/77/80/1073777780.db2.gz FNXJTYZYYWRVQR-IAGOWNOFSA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032847 1073777882 /nfs/dbraw/zinc/77/78/82/1073777882.db2.gz FNXJTYZYYWRVQR-IRXDYDNUSA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032847 1073777877 /nfs/dbraw/zinc/77/78/77/1073777877.db2.gz FNXJTYZYYWRVQR-IRXDYDNUSA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032848 1073777907 /nfs/dbraw/zinc/77/79/07/1073777907.db2.gz FNXJTYZYYWRVQR-SJORKVTESA-N 2 1 443.618 -0.002 20 0 IBADMP CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296032848 1073777901 /nfs/dbraw/zinc/77/79/01/1073777901.db2.gz FNXJTYZYYWRVQR-SJORKVTESA-N 2 1 443.618 -0.002 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296147808 1073780225 /nfs/dbraw/zinc/78/02/25/1073780225.db2.gz SIRJDADAJIZKOZ-MPGHIAIKSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296147808 1073780218 /nfs/dbraw/zinc/78/02/18/1073780218.db2.gz SIRJDADAJIZKOZ-MPGHIAIKSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001296147808 1073780216 /nfs/dbraw/zinc/78/02/16/1073780216.db2.gz SIRJDADAJIZKOZ-MPGHIAIKSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296147809 1073780393 /nfs/dbraw/zinc/78/03/93/1073780393.db2.gz SIRJDADAJIZKOZ-RLFYNMQTSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296147809 1073780387 /nfs/dbraw/zinc/78/03/87/1073780387.db2.gz SIRJDADAJIZKOZ-RLFYNMQTSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001296147809 1073780379 /nfs/dbraw/zinc/78/03/79/1073780379.db2.gz SIRJDADAJIZKOZ-RLFYNMQTSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296147810 1073780326 /nfs/dbraw/zinc/78/03/26/1073780326.db2.gz SIRJDADAJIZKOZ-RVKKMQEKSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296147810 1073780319 /nfs/dbraw/zinc/78/03/19/1073780319.db2.gz SIRJDADAJIZKOZ-RVKKMQEKSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001296147810 1073780310 /nfs/dbraw/zinc/78/03/10/1073780310.db2.gz SIRJDADAJIZKOZ-RVKKMQEKSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296147811 1073780524 /nfs/dbraw/zinc/78/05/24/1073780524.db2.gz SIRJDADAJIZKOZ-VKJFTORMSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296147811 1073780515 /nfs/dbraw/zinc/78/05/15/1073780515.db2.gz SIRJDADAJIZKOZ-VKJFTORMSA-N 2 1 429.591 -0.515 20 0 IBADMP CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001296147811 1073780501 /nfs/dbraw/zinc/78/05/01/1073780501.db2.gz SIRJDADAJIZKOZ-VKJFTORMSA-N 2 1 429.591 -0.515 20 0 IBADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001297096113 1073794789 /nfs/dbraw/zinc/79/47/89/1073794789.db2.gz KHBBKVQEMIWRPP-JLMWRMLUSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297096113 1073794776 /nfs/dbraw/zinc/79/47/76/1073794776.db2.gz KHBBKVQEMIWRPP-JLMWRMLUSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001297096114 1073794584 /nfs/dbraw/zinc/79/45/84/1073794584.db2.gz KHBBKVQEMIWRPP-KPLVRAHFSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297096114 1073794576 /nfs/dbraw/zinc/79/45/76/1073794576.db2.gz KHBBKVQEMIWRPP-KPLVRAHFSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001297096115 1073794857 /nfs/dbraw/zinc/79/48/57/1073794857.db2.gz KHBBKVQEMIWRPP-LQBOVUBWSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297096115 1073794851 /nfs/dbraw/zinc/79/48/51/1073794851.db2.gz KHBBKVQEMIWRPP-LQBOVUBWSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001297096116 1073794747 /nfs/dbraw/zinc/79/47/47/1073794747.db2.gz KHBBKVQEMIWRPP-LRXVAGHRSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297096116 1073794735 /nfs/dbraw/zinc/79/47/35/1073794735.db2.gz KHBBKVQEMIWRPP-LRXVAGHRSA-N 2 1 449.600 -0.130 20 0 IBADMP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001297261586 1073796264 /nfs/dbraw/zinc/79/62/64/1073796264.db2.gz OURIHJSSBNANSK-NRFANRHFSA-N 2 1 435.573 -0.374 20 0 IBADMP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001297261587 1073796420 /nfs/dbraw/zinc/79/64/20/1073796420.db2.gz OURIHJSSBNANSK-OAQYLSRUSA-N 2 1 435.573 -0.374 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](N4C(=O)CNC4=O)C[C@H]3C(=O)OC)CC2)CC1 ZINC001301132129 1073858137 /nfs/dbraw/zinc/85/81/37/1073858137.db2.gz ODMYBBGNHGTTGB-ROUUACIJSA-N 2 1 449.552 -0.123 20 0 IBADMP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001301908293 1073883493 /nfs/dbraw/zinc/88/34/93/1073883493.db2.gz YTCABHABGLRHNA-GOSISDBHSA-N 2 1 435.573 -0.156 20 0 IBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001301908294 1073883322 /nfs/dbraw/zinc/88/33/22/1073883322.db2.gz YTCABHABGLRHNA-SFHVURJKSA-N 2 1 435.573 -0.156 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303367655 1073934985 /nfs/dbraw/zinc/93/49/85/1073934985.db2.gz YXLSYAGRVHVQMS-DYESRHJHSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303367655 1073934978 /nfs/dbraw/zinc/93/49/78/1073934978.db2.gz YXLSYAGRVHVQMS-DYESRHJHSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303367656 1073935159 /nfs/dbraw/zinc/93/51/59/1073935159.db2.gz YXLSYAGRVHVQMS-LAUBAEHRSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303367656 1073935153 /nfs/dbraw/zinc/93/51/53/1073935153.db2.gz YXLSYAGRVHVQMS-LAUBAEHRSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303367657 1073935100 /nfs/dbraw/zinc/93/51/00/1073935100.db2.gz YXLSYAGRVHVQMS-UTKZUKDTSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303367657 1073935096 /nfs/dbraw/zinc/93/50/96/1073935096.db2.gz YXLSYAGRVHVQMS-UTKZUKDTSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303367658 1073935063 /nfs/dbraw/zinc/93/50/63/1073935063.db2.gz YXLSYAGRVHVQMS-UWJYYQICSA-N 2 1 435.573 -0.359 20 0 IBADMP CC(C)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303367658 1073935057 /nfs/dbraw/zinc/93/50/57/1073935057.db2.gz YXLSYAGRVHVQMS-UWJYYQICSA-N 2 1 435.573 -0.359 20 0 IBADMP C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001305176142 1073980742 /nfs/dbraw/zinc/98/07/42/1073980742.db2.gz RBWFJEZJGLQIJB-FGTMMUONSA-N 2 1 435.573 -0.036 20 0 IBADMP C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001305176147 1073980635 /nfs/dbraw/zinc/98/06/35/1073980635.db2.gz RBWFJEZJGLQIJB-KURKYZTESA-N 2 1 435.573 -0.036 20 0 IBADMP C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001305176149 1073980759 /nfs/dbraw/zinc/98/07/59/1073980759.db2.gz RBWFJEZJGLQIJB-KZNAEPCWSA-N 2 1 435.573 -0.036 20 0 IBADMP C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001305176151 1073980680 /nfs/dbraw/zinc/98/06/80/1073980680.db2.gz RBWFJEZJGLQIJB-SQNIBIBYSA-N 2 1 435.573 -0.036 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)C1 ZINC001313884307 1074051667 /nfs/dbraw/zinc/05/16/67/1074051667.db2.gz NUBQFMZAKBHJTM-IKGGRYGDSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)C1 ZINC001313884307 1074051661 /nfs/dbraw/zinc/05/16/61/1074051661.db2.gz NUBQFMZAKBHJTM-IKGGRYGDSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001313884307 1074051656 /nfs/dbraw/zinc/05/16/56/1074051656.db2.gz NUBQFMZAKBHJTM-IKGGRYGDSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001313884307 1074051653 /nfs/dbraw/zinc/05/16/53/1074051653.db2.gz NUBQFMZAKBHJTM-IKGGRYGDSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)C1 ZINC001313884308 1074051776 /nfs/dbraw/zinc/05/17/76/1074051776.db2.gz NUBQFMZAKBHJTM-IXDOHACOSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)C1 ZINC001313884308 1074051768 /nfs/dbraw/zinc/05/17/68/1074051768.db2.gz NUBQFMZAKBHJTM-IXDOHACOSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001313884308 1074051761 /nfs/dbraw/zinc/05/17/61/1074051761.db2.gz NUBQFMZAKBHJTM-IXDOHACOSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001313884308 1074051755 /nfs/dbraw/zinc/05/17/55/1074051755.db2.gz NUBQFMZAKBHJTM-IXDOHACOSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)C1 ZINC001313884309 1074051535 /nfs/dbraw/zinc/05/15/35/1074051535.db2.gz NUBQFMZAKBHJTM-ULQDDVLXSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)C1 ZINC001313884309 1074051533 /nfs/dbraw/zinc/05/15/33/1074051533.db2.gz NUBQFMZAKBHJTM-ULQDDVLXSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001313884309 1074051523 /nfs/dbraw/zinc/05/15/23/1074051523.db2.gz NUBQFMZAKBHJTM-ULQDDVLXSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001313884309 1074051513 /nfs/dbraw/zinc/05/15/13/1074051513.db2.gz NUBQFMZAKBHJTM-ULQDDVLXSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)C1 ZINC001313884310 1074051697 /nfs/dbraw/zinc/05/16/97/1074051697.db2.gz NUBQFMZAKBHJTM-YESZJQIVSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[NH+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)C1 ZINC001313884310 1074051694 /nfs/dbraw/zinc/05/16/94/1074051694.db2.gz NUBQFMZAKBHJTM-YESZJQIVSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001313884310 1074051690 /nfs/dbraw/zinc/05/16/90/1074051690.db2.gz NUBQFMZAKBHJTM-YESZJQIVSA-N 2 1 441.602 -0.249 20 0 IBADMP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001313884310 1074051687 /nfs/dbraw/zinc/05/16/87/1074051687.db2.gz NUBQFMZAKBHJTM-YESZJQIVSA-N 2 1 441.602 -0.249 20 0 IBADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001316121650 1074117783 /nfs/dbraw/zinc/11/77/83/1074117783.db2.gz UMQNDQUFROENBX-KRWDZBQOSA-N 2 1 441.602 -0.081 20 0 IBADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)CC1 ZINC001316121650 1074117773 /nfs/dbraw/zinc/11/77/73/1074117773.db2.gz UMQNDQUFROENBX-KRWDZBQOSA-N 2 1 441.602 -0.081 20 0 IBADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001316121652 1074117742 /nfs/dbraw/zinc/11/77/42/1074117742.db2.gz UMQNDQUFROENBX-QGZVFWFLSA-N 2 1 441.602 -0.081 20 0 IBADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)CC1 ZINC001316121652 1074117729 /nfs/dbraw/zinc/11/77/29/1074117729.db2.gz UMQNDQUFROENBX-QGZVFWFLSA-N 2 1 441.602 -0.081 20 0 IBADMP COC(=O)[C@H](O)C1CC[NH+](CC2(C[NH+]3CCC([C@@H](O)C(=O)OC)CC3)COC2)CC1 ZINC001320002973 1074206976 /nfs/dbraw/zinc/20/69/76/1074206976.db2.gz XVXVKOFPVINXMX-QZTJIDSGSA-N 2 1 428.526 -0.505 20 0 IBADMP COC(=O)[C@@H](O)C1CC[NH+](CC2(C[NH+]3CCC([C@H](O)C(=O)OC)CC3)COC2)CC1 ZINC001320002974 1074206999 /nfs/dbraw/zinc/20/69/99/1074206999.db2.gz XVXVKOFPVINXMX-ROUUACIJSA-N 2 1 428.526 -0.505 20 0 IBADMP C[NH+](CC(O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001324747171 1074273487 /nfs/dbraw/zinc/27/34/87/1074273487.db2.gz ZSBVNCQSYCRWTE-UHFFFAOYSA-N 2 1 440.632 -0.941 20 0 IBADMP O=C(C[NH+]1C[C@H]2CCC[C@@H](C1)C2O)N1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC001340801077 1074319294 /nfs/dbraw/zinc/31/92/94/1074319294.db2.gz LTBPOJZNKBJKOH-FJAPILEGSA-N 2 1 448.608 -0.157 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)CC2)CC1 ZINC001343984076 1074326740 /nfs/dbraw/zinc/32/67/40/1074326740.db2.gz XGFVHJRXSFIGFM-INIZCTEOSA-N 2 1 428.599 -0.056 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)N3CCS(=O)(=O)CC3)CC2)CC1 ZINC001343984077 1074326650 /nfs/dbraw/zinc/32/66/50/1074326650.db2.gz XGFVHJRXSFIGFM-MRXNPFEDSA-N 2 1 428.599 -0.056 20 0 IBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)CC2)CC1 ZINC001347723181 1074332122 /nfs/dbraw/zinc/33/21/22/1074332122.db2.gz FEDVSNLWMJPJJL-UHFFFAOYSA-N 2 1 439.586 -0.166 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709033 1074399290 /nfs/dbraw/zinc/39/92/90/1074399290.db2.gz HYYGJNRWUGEKBU-DLBZAZTESA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709033 1074399284 /nfs/dbraw/zinc/39/92/84/1074399284.db2.gz HYYGJNRWUGEKBU-DLBZAZTESA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709034 1074399219 /nfs/dbraw/zinc/39/92/19/1074399219.db2.gz HYYGJNRWUGEKBU-IAGOWNOFSA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709034 1074399211 /nfs/dbraw/zinc/39/92/11/1074399211.db2.gz HYYGJNRWUGEKBU-IAGOWNOFSA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709035 1074399265 /nfs/dbraw/zinc/39/92/65/1074399265.db2.gz HYYGJNRWUGEKBU-IRXDYDNUSA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709035 1074399259 /nfs/dbraw/zinc/39/92/59/1074399259.db2.gz HYYGJNRWUGEKBU-IRXDYDNUSA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709036 1074399195 /nfs/dbraw/zinc/39/91/95/1074399195.db2.gz HYYGJNRWUGEKBU-SJORKVTESA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCCC1 ZINC001360709036 1074399186 /nfs/dbraw/zinc/39/91/86/1074399186.db2.gz HYYGJNRWUGEKBU-SJORKVTESA-N 2 1 441.602 -0.105 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710383 1074400208 /nfs/dbraw/zinc/40/02/08/1074400208.db2.gz WKQYNPFOIYTVJP-CVEARBPZSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710383 1074400201 /nfs/dbraw/zinc/40/02/01/1074400201.db2.gz WKQYNPFOIYTVJP-CVEARBPZSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710384 1074400084 /nfs/dbraw/zinc/40/00/84/1074400084.db2.gz WKQYNPFOIYTVJP-HOTGVXAUSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710384 1074400079 /nfs/dbraw/zinc/40/00/79/1074400079.db2.gz WKQYNPFOIYTVJP-HOTGVXAUSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710385 1074400253 /nfs/dbraw/zinc/40/02/53/1074400253.db2.gz WKQYNPFOIYTVJP-HZPDHXFCSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710385 1074400247 /nfs/dbraw/zinc/40/02/47/1074400247.db2.gz WKQYNPFOIYTVJP-HZPDHXFCSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710386 1074400170 /nfs/dbraw/zinc/40/01/70/1074400170.db2.gz WKQYNPFOIYTVJP-JKSUJKDBSA-N 2 1 441.602 -0.107 20 0 IBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1([NH+](C)C)CCC1 ZINC001360710386 1074400165 /nfs/dbraw/zinc/40/01/65/1074400165.db2.gz WKQYNPFOIYTVJP-JKSUJKDBSA-N 2 1 441.602 -0.107 20 0 IBADMP C[NH+](C)CCN1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1=O ZINC001467877309 1074559445 /nfs/dbraw/zinc/55/94/45/1074559445.db2.gz QHRVCENGBVYXLM-UHFFFAOYSA-N 2 1 430.553 -0.010 20 0 IBADMP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001468743162 1074567494 /nfs/dbraw/zinc/56/74/94/1074567494.db2.gz CUUWJMNTCJRBRS-FQEVSTJZSA-N 2 1 438.617 -0.511 20 0 IBADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001468743163 1074567886 /nfs/dbraw/zinc/56/78/86/1074567886.db2.gz CUUWJMNTCJRBRS-HXUWFJFHSA-N 2 1 438.617 -0.511 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001471182966 1074592304 /nfs/dbraw/zinc/59/23/04/1074592304.db2.gz UWYNOKCQGZAITD-FQEVSTJZSA-N 2 1 438.617 -0.021 20 0 IBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001471182979 1074592429 /nfs/dbraw/zinc/59/24/29/1074592429.db2.gz UWYNOKCQGZAITD-HXUWFJFHSA-N 2 1 438.617 -0.021 20 0 IBADMP C[NH+]1CCC(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(N2CCOCC2)CC1 ZINC001478788857 1074654149 /nfs/dbraw/zinc/65/41/49/1074654149.db2.gz HIYOAAJYQWYHRU-UHFFFAOYSA-N 2 1 439.601 -0.036 20 0 IBADMP C[NH+]1CCC(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)(N2CCOCC2)CC1 ZINC001478819484 1074654701 /nfs/dbraw/zinc/65/47/01/1074654701.db2.gz TVUTVUYORGWQBQ-GHTZIAJQSA-N 2 1 425.574 -0.692 20 0 IBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001478956817 1074657432 /nfs/dbraw/zinc/65/74/32/1074657432.db2.gz JEVSILAUAKNREI-SFHVURJKSA-N 2 1 447.650 -0.922 20 0 IBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001478956817 1074657428 /nfs/dbraw/zinc/65/74/28/1074657428.db2.gz JEVSILAUAKNREI-SFHVURJKSA-N 2 1 447.650 -0.922 20 0 IBADMP