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)CCCN(CCC[NH+](C)C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000061647235 1072322351 /nfs/dbraw/zinc/32/23/51/1072322351.db2.gz DLPISBKMQLXGRF-MRXNPFEDSA-N 2 0 429.587 -0.116 20 0 IBADRP COCCn1c(N)c(C(=O)CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990865 1072149762 /nfs/dbraw/zinc/14/97/62/1072149762.db2.gz VLGYLKJHDQLQOF-GJZGRUSLSA-N 2 0 437.541 -0.231 20 0 IBADRP COCCn1c(N)c(C(=O)CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990867 1072149783 /nfs/dbraw/zinc/14/97/83/1072149783.db2.gz VLGYLKJHDQLQOF-HUUCEWRRSA-N 2 0 437.541 -0.231 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166955 1074500804 /nfs/dbraw/zinc/50/08/04/1074500804.db2.gz KFNHFWCULYQFFQ-MOPGFXCFSA-N 2 0 437.585 -0.432 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166956 1074500537 /nfs/dbraw/zinc/50/05/37/1074500537.db2.gz KFNHFWCULYQFFQ-OALUTQOASA-N 2 0 437.585 -0.432 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166957 1074500642 /nfs/dbraw/zinc/50/06/42/1074500642.db2.gz KFNHFWCULYQFFQ-RBUKOAKNSA-N 2 0 437.585 -0.432 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)CC1=O ZINC000410166958 1074500673 /nfs/dbraw/zinc/50/06/73/1074500673.db2.gz KFNHFWCULYQFFQ-RTBURBONSA-N 2 0 437.585 -0.432 20 0 IBADRP CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000426198787 1072034886 /nfs/dbraw/zinc/03/48/86/1072034886.db2.gz MQOJBFSMJNCKRY-ROUUACIJSA-N 2 0 447.646 -0.251 20 0 IBADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CCOCC3)O2)CCOCC1 ZINC000426839604 1072178788 /nfs/dbraw/zinc/17/87/88/1072178788.db2.gz DPTXJGBZAYCKJF-HDICACEKSA-N 2 0 440.585 -0.012 20 0 IBADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@H](C(=O)NCC3([NH+](C)C)CCOCC3)O2)CCOCC1 ZINC000426839605 1072178792 /nfs/dbraw/zinc/17/87/92/1072178792.db2.gz DPTXJGBZAYCKJF-QZTJIDSGSA-N 2 0 440.585 -0.012 20 0 IBADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CCOCC3)O2)CCOCC1 ZINC000426839606 1072178759 /nfs/dbraw/zinc/17/87/59/1072178759.db2.gz DPTXJGBZAYCKJF-ROUUACIJSA-N 2 0 440.585 -0.012 20 0 IBADRP C[NH+](C)C[C@H]1CN(C(=O)C2(CC(=O)N3CCO[C@H](C[NH+](C)C)C3)CCOCC2)CCO1 ZINC000426869821 1072181136 /nfs/dbraw/zinc/18/11/36/1072181136.db2.gz WHVKPTJSNOVPCF-MOPGFXCFSA-N 2 0 440.585 -0.249 20 0 IBADRP C[NH+](C)C[C@H]1CN(C(=O)CC2(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)CCOCC2)CCO1 ZINC000426869822 1072181126 /nfs/dbraw/zinc/18/11/26/1072181126.db2.gz WHVKPTJSNOVPCF-OALUTQOASA-N 2 0 440.585 -0.249 20 0 IBADRP C[NH+](C)C[C@H]1CN(C(=O)CC2(C(=O)N3CCO[C@H](C[NH+](C)C)C3)CCOCC2)CCO1 ZINC000426869823 1072181214 /nfs/dbraw/zinc/18/12/14/1072181214.db2.gz WHVKPTJSNOVPCF-RBUKOAKNSA-N 2 0 440.585 -0.249 20 0 IBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2(C(=O)N3CCO[C@H](C[NH+](C)C)C3)CCOCC2)CCO1 ZINC000426869824 1072181159 /nfs/dbraw/zinc/18/11/59/1072181159.db2.gz WHVKPTJSNOVPCF-RTBURBONSA-N 2 0 440.585 -0.249 20 0 IBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426908545 1073306171 /nfs/dbraw/zinc/30/61/71/1073306171.db2.gz GEHBTZGNUNRQFF-KRWDZBQOSA-N 2 0 433.557 0.147 20 0 IBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426908616 1073306259 /nfs/dbraw/zinc/30/62/59/1073306259.db2.gz GEHBTZGNUNRQFF-QGZVFWFLSA-N 2 0 433.557 0.147 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426925899 1073335614 /nfs/dbraw/zinc/33/56/14/1073335614.db2.gz MVPBWDRNMMXQEY-UHFFFAOYSA-N 2 0 433.557 0.101 20 0 IBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2)CC1 ZINC000426931038 1072184935 /nfs/dbraw/zinc/18/49/35/1072184935.db2.gz HRLFKUCRGAVUEY-UHFFFAOYSA-N 2 0 431.541 -0.145 20 0 IBADRP Cc1cn(C)c(CC(=O)N2CCN(CCO)[C@H](C)C2)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427212534 1071154341 /nfs/dbraw/zinc/15/43/41/1071154341.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 0 449.596 -0.460 20 0 IBADRP Cc1cn(C)c(CC(=O)N2CCN(CCO)[C@@H](C)C2)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427212535 1071154044 /nfs/dbraw/zinc/15/40/44/1071154044.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 0 449.596 -0.460 20 0 IBADRP Cc1cn(C)c(CC(=O)N2CCN(CCO)[C@@H](C)C2)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427212536 1071154221 /nfs/dbraw/zinc/15/42/21/1071154221.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 0 449.596 -0.460 20 0 IBADRP Cc1cn(C)c(CC(=O)N2CCN(CCO)[C@H](C)C2)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427212537 1071154166 /nfs/dbraw/zinc/15/41/66/1071154166.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 0 449.596 -0.460 20 0 IBADRP CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)NCC[NH+](C)C ZINC000427247855 1072204016 /nfs/dbraw/zinc/20/40/16/1072204016.db2.gz COVYVEOPJPAECD-KRWDZBQOSA-N 2 0 435.573 0.297 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427567710 1072285331 /nfs/dbraw/zinc/28/53/31/1072285331.db2.gz ZEBOYIMTMNLGLO-KRWDZBQOSA-N 2 0 431.541 -0.147 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427567711 1073311869 /nfs/dbraw/zinc/31/18/69/1073311869.db2.gz ZEBOYIMTMNLGLO-QGZVFWFLSA-N 2 0 431.541 -0.147 20 0 IBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427659152 1072325983 /nfs/dbraw/zinc/32/59/83/1072325983.db2.gz GFDSZVMOQAOTOZ-MRXNPFEDSA-N 2 0 449.556 -0.789 20 0 IBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427718182 1072330897 /nfs/dbraw/zinc/33/08/97/1072330897.db2.gz GFDSZVMOQAOTOZ-INIZCTEOSA-N 2 0 449.556 -0.789 20 0 IBADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)O1 ZINC000427758864 1072335363 /nfs/dbraw/zinc/33/53/63/1072335363.db2.gz AHUJZKWDRVQGJS-FGYAAKKASA-N 2 0 440.585 -0.540 20 0 IBADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)O1 ZINC000427758866 1072335248 /nfs/dbraw/zinc/33/52/48/1072335248.db2.gz AHUJZKWDRVQGJS-LWYYNNOASA-N 2 0 440.585 -0.540 20 0 IBADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)O1 ZINC000427758867 1072335303 /nfs/dbraw/zinc/33/53/03/1072335303.db2.gz AHUJZKWDRVQGJS-MUGJNUQGSA-N 2 0 440.585 -0.540 20 0 IBADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)O1 ZINC000427758868 1072335742 /nfs/dbraw/zinc/33/57/42/1072335742.db2.gz AHUJZKWDRVQGJS-YRPNKDGESA-N 2 0 440.585 -0.540 20 0 IBADRP CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2)CC1 ZINC000427858887 1072344062 /nfs/dbraw/zinc/34/40/62/1072344062.db2.gz MMKUWQHYMPEFKS-CALCHBBNSA-N 2 0 449.577 -0.029 20 0 IBADRP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CCN(CCO)[C@@H](C)C3)cc2)CCN1CCO ZINC000428518178 1072862867 /nfs/dbraw/zinc/86/28/67/1072862867.db2.gz AAQQZNRGFDZJKB-BGYRXZFFSA-N 2 0 446.592 -0.178 20 0 IBADRP CC(C)NS(=O)(=O)NCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000428561417 1072877798 /nfs/dbraw/zinc/87/77/98/1072877798.db2.gz DTSQYHQCSVPYSY-UHFFFAOYSA-N 2 0 427.575 -0.275 20 0 IBADRP C[NH+]1CC[C@@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@]5(CC[N@@H+](C)C5)C4)CC3)C2)C1 ZINC000429007423 1073235653 /nfs/dbraw/zinc/23/56/53/1073235653.db2.gz KBVRJVYCSSMFBO-DNQXCXABSA-N 2 0 446.640 -0.288 20 0 IBADRP C[NH+]1CC[C@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@@]5(CC[N@@H+](C)C5)C4)CC3)C2)C1 ZINC000429007424 1073235532 /nfs/dbraw/zinc/23/55/32/1073235532.db2.gz KBVRJVYCSSMFBO-PSWAGMNNSA-N 2 0 446.640 -0.288 20 0 IBADRP C[NH+]1CC[C@]2(CCN(CC(=O)N3CCN(C(=O)CN4CC[C@]5(CC[N@@H+](C)C5)C4)CC3)C2)C1 ZINC000429007425 1073235619 /nfs/dbraw/zinc/23/56/19/1073235619.db2.gz KBVRJVYCSSMFBO-ZEQRLZLVSA-N 2 0 446.640 -0.288 20 0 IBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000429462364 1073357887 /nfs/dbraw/zinc/35/78/87/1073357887.db2.gz QKDFIJXRPSZPJE-HNNXBMFYSA-N 2 0 432.525 -0.153 20 0 IBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000429462366 1073357853 /nfs/dbraw/zinc/35/78/53/1073357853.db2.gz QKDFIJXRPSZPJE-OAHLLOKOSA-N 2 0 432.525 -0.153 20 0 IBADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000434589952 1071787974 /nfs/dbraw/zinc/78/79/74/1071787974.db2.gz ZUZTYTAFFWNNAD-UHFFFAOYSA-N 2 0 447.584 -0.006 20 0 IBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436250305 1071478095 /nfs/dbraw/zinc/47/80/95/1071478095.db2.gz XQILCTSTWYYOIZ-IBGZPJMESA-N 2 0 439.601 -0.986 20 0 IBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000436250306 1071478031 /nfs/dbraw/zinc/47/80/31/1071478031.db2.gz XQILCTSTWYYOIZ-LJQANCHMSA-N 2 0 439.601 -0.986 20 0 IBADRP CN(CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000436418339 1071910826 /nfs/dbraw/zinc/91/08/26/1071910826.db2.gz HZFAHWONHMEBRM-FGZHOGPDSA-N 2 0 446.640 -0.006 20 0 IBADRP CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[NH+](C3CC3)C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000436418340 1071910472 /nfs/dbraw/zinc/91/04/72/1071910472.db2.gz HZFAHWONHMEBRM-SZPZYZBQSA-N 2 0 446.640 -0.006 20 0 IBADRP CN(CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000436418341 1071910572 /nfs/dbraw/zinc/91/05/72/1071910572.db2.gz HZFAHWONHMEBRM-VXKWHMMOSA-N 2 0 446.640 -0.006 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cn1 ZINC000437499428 1071968017 /nfs/dbraw/zinc/96/80/17/1071968017.db2.gz SBZFPXJEVOPPEE-GOSISDBHSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cn1 ZINC000437499429 1071967994 /nfs/dbraw/zinc/96/79/94/1071967994.db2.gz SBZFPXJEVOPPEE-SFHVURJKSA-N 2 0 433.557 -0.024 20 0 IBADRP O=C(CC1(C(=O)NCC[N@@H+]2CCCOCC2)CCOCC1)NCC[NH+]1CCCOCC1 ZINC000438692161 1072021380 /nfs/dbraw/zinc/02/13/80/1072021380.db2.gz OXGDMGDSBHSRLB-UHFFFAOYSA-N 2 0 440.585 -0.150 20 0 IBADRP COC(=O)CC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCS(=O)(=O)CC1 ZINC000439258170 1072067242 /nfs/dbraw/zinc/06/72/42/1072067242.db2.gz FEOKWPVUYVISMM-INIZCTEOSA-N 2 0 433.571 -0.441 20 0 IBADRP COC(=O)CC1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCS(=O)(=O)CC1 ZINC000439258173 1072067373 /nfs/dbraw/zinc/06/73/73/1072067373.db2.gz FEOKWPVUYVISMM-MRXNPFEDSA-N 2 0 433.571 -0.441 20 0 IBADRP Cc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000440652254 1072231347 /nfs/dbraw/zinc/23/13/47/1072231347.db2.gz MAZQAQIZZSBCFB-UHFFFAOYSA-N 2 0 433.649 -0.100 20 0 IBADRP CNc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000440672735 1072232488 /nfs/dbraw/zinc/23/24/88/1072232488.db2.gz MHCLEOUAKMORDV-UHFFFAOYSA-N 2 0 448.664 -0.945 20 0 IBADRP COc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000440683163 1072233107 /nfs/dbraw/zinc/23/31/07/1072233107.db2.gz XOGHPJYRQJLWNZ-UHFFFAOYSA-N 2 0 449.648 -0.400 20 0 IBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442498836 1072440721 /nfs/dbraw/zinc/44/07/21/1072440721.db2.gz XCWQUDFADFFXHD-JOCHJYFZSA-N 2 0 428.537 0.479 20 0 IBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442498837 1072440863 /nfs/dbraw/zinc/44/08/63/1072440863.db2.gz XCWQUDFADFFXHD-QFIPXVFZSA-N 2 0 428.537 0.479 20 0 IBADRP COCC[N@H+](CC(=O)NC(N)=O)CC1(c2ccccc2)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000442888732 1072456720 /nfs/dbraw/zinc/45/67/20/1072456720.db2.gz HKYHVHWWCLLGLC-UHFFFAOYSA-N 2 0 448.524 -0.642 20 0 IBADRP C[NH+]1CCN(CCNC(=O)COCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000442969629 1072463028 /nfs/dbraw/zinc/46/30/28/1072463028.db2.gz VARHHBSMKOQIDJ-UHFFFAOYSA-N 2 0 440.633 -0.713 20 0 IBADRP NS(=O)(=O)CCN1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000443431503 1072498691 /nfs/dbraw/zinc/49/86/91/1072498691.db2.gz RLCGBQFYNFCOSB-UHFFFAOYSA-N 2 0 439.586 -0.791 20 0 IBADRP 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 1072619305 /nfs/dbraw/zinc/61/93/05/1072619305.db2.gz FMYGZFUKYYRVOF-HDICACEKSA-N 2 0 442.601 -0.390 20 0 IBADRP 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 1072619140 /nfs/dbraw/zinc/61/91/40/1072619140.db2.gz FMYGZFUKYYRVOF-QZTJIDSGSA-N 2 0 442.601 -0.390 20 0 IBADRP 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 1072619250 /nfs/dbraw/zinc/61/92/50/1072619250.db2.gz FMYGZFUKYYRVOF-ROUUACIJSA-N 2 0 442.601 -0.390 20 0 IBADRP CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000444513118 1072639213 /nfs/dbraw/zinc/63/92/13/1072639213.db2.gz YGEHKDUJGNHPPX-UHFFFAOYSA-N 2 0 442.524 -0.367 20 0 IBADRP 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 1072642387 /nfs/dbraw/zinc/64/23/87/1072642387.db2.gz IPWKFYJAGSPCNH-HDICACEKSA-N 2 0 442.601 -0.390 20 0 IBADRP 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 1072642346 /nfs/dbraw/zinc/64/23/46/1072642346.db2.gz IPWKFYJAGSPCNH-QZTJIDSGSA-N 2 0 442.601 -0.390 20 0 IBADRP 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 1072642437 /nfs/dbraw/zinc/64/24/37/1072642437.db2.gz IPWKFYJAGSPCNH-ROUUACIJSA-N 2 0 442.601 -0.390 20 0 IBADRP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000446122518 1072720091 /nfs/dbraw/zinc/72/00/91/1072720091.db2.gz QRBMZCOAHZWXBU-INIZCTEOSA-N 2 0 435.554 -0.190 20 0 IBADRP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000446122619 1072720030 /nfs/dbraw/zinc/72/00/30/1072720030.db2.gz QRBMZCOAHZWXBU-MRXNPFEDSA-N 2 0 435.554 -0.190 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000446720567 1072743479 /nfs/dbraw/zinc/74/34/79/1072743479.db2.gz WMHOUGGYGYPLCE-UHFFFAOYSA-N 3 0 428.541 0.107 20 0 IBADRP O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000446732849 1072743076 /nfs/dbraw/zinc/74/30/76/1072743076.db2.gz WUXOOUYVFNFYIK-UHFFFAOYSA-N 2 0 448.568 0.257 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000446732944 1073307719 /nfs/dbraw/zinc/30/77/19/1073307719.db2.gz XXASGNPHEHGYQV-UHFFFAOYSA-N 2 0 449.600 0.326 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000446795615 1072747417 /nfs/dbraw/zinc/74/74/17/1072747417.db2.gz IHBAUQYBKRPYIC-UHFFFAOYSA-N 2 0 435.573 0.126 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000446815518 1072749691 /nfs/dbraw/zinc/74/96/91/1072749691.db2.gz VNKHRZSKVSYZIX-MOPGFXCFSA-N 2 0 428.537 0.382 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000446815519 1072749628 /nfs/dbraw/zinc/74/96/28/1072749628.db2.gz VNKHRZSKVSYZIX-OALUTQOASA-N 2 0 428.537 0.382 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000446815520 1072749237 /nfs/dbraw/zinc/74/92/37/1072749237.db2.gz VNKHRZSKVSYZIX-RBUKOAKNSA-N 2 0 428.537 0.382 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000446815521 1072748992 /nfs/dbraw/zinc/74/89/92/1072748992.db2.gz VNKHRZSKVSYZIX-RTBURBONSA-N 2 0 428.537 0.382 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cn2)CC1 ZINC000448482230 1073337087 /nfs/dbraw/zinc/33/70/87/1073337087.db2.gz BDGVLARVWQYWIE-UHFFFAOYSA-N 2 0 428.541 0.237 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000448490371 1072817874 /nfs/dbraw/zinc/81/78/74/1072817874.db2.gz BDXXIUBPXUJSMK-UHFFFAOYSA-N 2 0 427.553 0.447 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000448507597 1072821592 /nfs/dbraw/zinc/82/15/92/1072821592.db2.gz JPIYXQVBJZLWML-UHFFFAOYSA-N 2 0 447.584 0.224 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000448534562 1072822832 /nfs/dbraw/zinc/82/28/32/1072822832.db2.gz IONLVZVYGOYIAM-UHFFFAOYSA-N 2 0 427.553 0.317 20 0 IBADRP C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000462093422 1073187183 /nfs/dbraw/zinc/18/71/83/1073187183.db2.gz MSJCXGWXIFRGIG-MOPGFXCFSA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000462093423 1073187020 /nfs/dbraw/zinc/18/70/20/1073187020.db2.gz MSJCXGWXIFRGIG-OALUTQOASA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccn1)N1CC[NH+](C)CC1 ZINC000462093424 1073187101 /nfs/dbraw/zinc/18/71/01/1073187101.db2.gz MSJCXGWXIFRGIG-RBUKOAKNSA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000462093425 1073187063 /nfs/dbraw/zinc/18/70/63/1073187063.db2.gz MSJCXGWXIFRGIG-RTBURBONSA-N 2 0 445.612 -0.187 20 0 IBADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000462767507 1072474783 /nfs/dbraw/zinc/47/47/83/1072474783.db2.gz YMGORCLVJXVYBC-HNNXBMFYSA-N 2 0 425.555 -0.125 20 0 IBADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000462767509 1072474919 /nfs/dbraw/zinc/47/49/19/1072474919.db2.gz YMGORCLVJXVYBC-OAHLLOKOSA-N 2 0 425.555 -0.125 20 0 IBADRP O=C(C[NH+]1CC[C@H](n2cccn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463456349 1072510542 /nfs/dbraw/zinc/51/05/42/1072510542.db2.gz ZKQLVWYJLMXQAY-PMACEKPBSA-N 2 0 440.552 -0.056 20 0 IBADRP O=C(C[NH+]1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456351 1072510380 /nfs/dbraw/zinc/51/03/80/1072510380.db2.gz ZKQLVWYJLMXQAY-WOJBJXKFSA-N 2 0 440.552 -0.056 20 0 IBADRP Cn1c2c(ccn2CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(=O)n(C)c1=O ZINC000465174015 1072572643 /nfs/dbraw/zinc/57/26/43/1072572643.db2.gz XNBMLVPYHFNGIS-UHFFFAOYSA-N 2 0 439.520 -0.238 20 0 IBADRP CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000465327740 1072579129 /nfs/dbraw/zinc/57/91/29/1072579129.db2.gz TZSIWWGFOAQSBR-UHFFFAOYSA-N 2 0 442.524 -0.367 20 0 IBADRP COCCNC(=O)CN1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000465819621 1073147607 /nfs/dbraw/zinc/14/76/07/1073147607.db2.gz VWQGFROKAPKSAC-UHFFFAOYSA-N 2 0 447.584 -0.317 20 0 IBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000467701946 1074546865 /nfs/dbraw/zinc/54/68/65/1074546865.db2.gz AMMJKOATYUIDOR-UHFFFAOYSA-N 2 0 432.569 -0.157 20 0 IBADRP CNc1nc(N2CC[NH+](C3CCOCC3)CC2)nc(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000467782448 1074548323 /nfs/dbraw/zinc/54/83/23/1074548323.db2.gz ITZQAQYWTKOAAM-UHFFFAOYSA-N 2 0 446.600 -0.063 20 0 IBADRP CNc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000467785050 1074548320 /nfs/dbraw/zinc/54/83/20/1074548320.db2.gz CTHCVKLKGCBZBP-KDURUIRLSA-N 2 0 446.600 -0.348 20 0 IBADRP CNc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000467785051 1074548276 /nfs/dbraw/zinc/54/82/76/1074548276.db2.gz CTHCVKLKGCBZBP-OALUTQOASA-N 2 0 446.600 -0.348 20 0 IBADRP CNc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000467785052 1074548363 /nfs/dbraw/zinc/54/83/63/1074548363.db2.gz CTHCVKLKGCBZBP-RTBURBONSA-N 2 0 446.600 -0.348 20 0 IBADRP CNc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000467801944 1074548692 /nfs/dbraw/zinc/54/86/92/1074548692.db2.gz YZNDLMWMTBNNKQ-HDICACEKSA-N 2 0 426.660 -0.123 20 0 IBADRP CNc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000467801945 1074548723 /nfs/dbraw/zinc/54/87/23/1074548723.db2.gz YZNDLMWMTBNNKQ-QZTJIDSGSA-N 2 0 426.660 -0.123 20 0 IBADRP CNc1nc(NC[C@@]2([NH+](C)C)CCSC2)nc(NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000467801946 1074548758 /nfs/dbraw/zinc/54/87/58/1074548758.db2.gz YZNDLMWMTBNNKQ-ROUUACIJSA-N 2 0 426.660 -0.123 20 0 IBADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000468420979 1074572297 /nfs/dbraw/zinc/57/22/97/1074572297.db2.gz RKBXYZZYLHCMOP-MRNRSFMZSA-N 2 0 428.574 -0.925 20 0 IBADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000468420980 1074572235 /nfs/dbraw/zinc/57/22/35/1074572235.db2.gz RKBXYZZYLHCMOP-WVEMUNHJSA-N 2 0 428.574 -0.925 20 0 IBADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000468420981 1074572270 /nfs/dbraw/zinc/57/22/70/1074572270.db2.gz RKBXYZZYLHCMOP-XMWJODTMSA-N 2 0 428.574 -0.925 20 0 IBADRP C[C@@H]1CC(=O)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000468420982 1074572128 /nfs/dbraw/zinc/57/21/28/1074572128.db2.gz RKBXYZZYLHCMOP-ZFCUWQNASA-N 2 0 428.574 -0.925 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468835777 1074591234 /nfs/dbraw/zinc/59/12/34/1074591234.db2.gz DCVGFTLELMYSGC-AWEZNQCLSA-N 2 0 428.559 -0.734 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000468835956 1074591267 /nfs/dbraw/zinc/59/12/67/1074591267.db2.gz DCVGFTLELMYSGC-CQSZACIVSA-N 2 0 428.559 -0.734 20 0 IBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000468895339 1074593895 /nfs/dbraw/zinc/59/38/95/1074593895.db2.gz ITOJSGRSXRZPCS-GOSISDBHSA-N 3 0 436.601 -0.907 20 0 IBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000468895562 1074593918 /nfs/dbraw/zinc/59/39/18/1074593918.db2.gz ITOJSGRSXRZPCS-SFHVURJKSA-N 3 0 436.601 -0.907 20 0 IBADRP NC(=O)c1cc(S(=O)(=O)NCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c[nH]1 ZINC000468948814 1074594748 /nfs/dbraw/zinc/59/47/48/1074594748.db2.gz MOUSQSMJQMZWOA-UHFFFAOYSA-N 2 0 449.537 -0.885 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469170664 1074602277 /nfs/dbraw/zinc/60/22/77/1074602277.db2.gz WAWYHORIOZEJHI-AWEZNQCLSA-N 2 0 429.543 -0.469 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000469170798 1074602205 /nfs/dbraw/zinc/60/22/05/1074602205.db2.gz WAWYHORIOZEJHI-CQSZACIVSA-N 2 0 429.543 -0.469 20 0 IBADRP C[C@H](CO)[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000470047241 1074639974 /nfs/dbraw/zinc/63/99/74/1074639974.db2.gz PPAQFMXQMHTMFE-HDICACEKSA-N 2 0 430.615 -0.450 20 0 IBADRP C[C@H](CO)[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)CC1 ZINC000470047242 1074640122 /nfs/dbraw/zinc/64/01/22/1074640122.db2.gz PPAQFMXQMHTMFE-QZTJIDSGSA-N 2 0 430.615 -0.450 20 0 IBADRP C[C@@H](CO)[NH+]1CCCN(C(=O)CSCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000470047343 1074640036 /nfs/dbraw/zinc/64/00/36/1074640036.db2.gz PPAQFMXQMHTMFE-ROUUACIJSA-N 2 0 430.615 -0.450 20 0 IBADRP 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 1074641670 /nfs/dbraw/zinc/64/16/70/1074641670.db2.gz MKUPDNXKOQYHGE-JVSBHGNQSA-N 2 0 440.585 -0.636 20 0 IBADRP 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 1074641526 /nfs/dbraw/zinc/64/15/26/1074641526.db2.gz MKUPDNXKOQYHGE-WTGUMLROSA-N 2 0 440.585 -0.636 20 0 IBADRP 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 1074641696 /nfs/dbraw/zinc/64/16/96/1074641696.db2.gz MKUPDNXKOQYHGE-YRPNKDGESA-N 2 0 440.585 -0.636 20 0 IBADRP 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 1074641573 /nfs/dbraw/zinc/64/15/73/1074641573.db2.gz MKUPDNXKOQYHGE-ZRNYENFQSA-N 2 0 440.585 -0.636 20 0 IBADRP Cn1c2ncn(CC[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000471229021 1070836443 /nfs/dbraw/zinc/83/64/43/1070836443.db2.gz ZBBOCLZZEYGDFM-UHFFFAOYSA-N 2 0 447.584 -0.150 20 0 IBADRP CC[C@H](CO)[NH+]1CCN(c2cc(N3CC[NH+]([C@@H](CC)CO)CC3)n3ncnc3n2)CC1 ZINC000472365719 1071260472 /nfs/dbraw/zinc/26/04/72/1071260472.db2.gz GQOLYCXMIIXCTG-MSOLQXFVSA-N 2 0 432.573 -0.090 20 0 IBADRP CC[C@H](CO)[NH+]1CCN(c2cc(N3CC[NH+]([C@H](CC)CO)CC3)n3ncnc3n2)CC1 ZINC000472365742 1071260340 /nfs/dbraw/zinc/26/03/40/1071260340.db2.gz GQOLYCXMIIXCTG-QZTJIDSGSA-N 2 0 432.573 -0.090 20 0 IBADRP CC[C@@H](CO)[NH+]1CCN(c2cc(N3CC[NH+]([C@@H](CC)CO)CC3)n3ncnc3n2)CC1 ZINC000472365746 1071260578 /nfs/dbraw/zinc/26/05/78/1071260578.db2.gz GQOLYCXMIIXCTG-ROUUACIJSA-N 2 0 432.573 -0.090 20 0 IBADRP CC[C@H](CO)[NH+]1CCN(c2cc(N3CC[NH+]([C@@H](CC)CO)CC3)nc3ncnn32)CC1 ZINC000472365750 1071260588 /nfs/dbraw/zinc/26/05/88/1071260588.db2.gz GQOLYCXMIIXCTG-ZWKOTPCHSA-N 2 0 432.573 -0.090 20 0 IBADRP COc1ncc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(N)=O ZINC000475230889 1072598421 /nfs/dbraw/zinc/59/84/21/1072598421.db2.gz DQNVBXGNNYMIDM-UHFFFAOYSA-N 2 0 441.492 -0.149 20 0 IBADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475726655 1073150999 /nfs/dbraw/zinc/15/09/99/1073150999.db2.gz WFHGIIGKVVPDBV-FQEVSTJZSA-N 2 0 439.601 -0.578 20 0 IBADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475726656 1073150964 /nfs/dbraw/zinc/15/09/64/1073150964.db2.gz WFHGIIGKVVPDBV-HXUWFJFHSA-N 2 0 439.601 -0.578 20 0 IBADRP CC[NH+]1CCN([C@H](C)CNc2nc(C)nc(NC[C@H](C)N3CC[NH+](CC)CC3)n2)CC1 ZINC000476117060 1072991812 /nfs/dbraw/zinc/99/18/12/1072991812.db2.gz VLFVXRSIJINONZ-KDURUIRLSA-N 2 0 433.649 -0.100 20 0 IBADRP CC[NH+]1CCN([C@@H](C)CNc2nc(C)nc(NC[C@H](C)N3CC[NH+](CC)CC3)n2)CC1 ZINC000476117061 1072991923 /nfs/dbraw/zinc/99/19/23/1072991923.db2.gz VLFVXRSIJINONZ-OALUTQOASA-N 2 0 433.649 -0.100 20 0 IBADRP CC[NH+]1CCN([C@H](C)CNc2nc(C)nc(NC[C@@H](C)N3CC[NH+](CC)CC3)n2)CC1 ZINC000476117062 1072991779 /nfs/dbraw/zinc/99/17/79/1072991779.db2.gz VLFVXRSIJINONZ-RTBURBONSA-N 2 0 433.649 -0.100 20 0 IBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000477479851 1073101532 /nfs/dbraw/zinc/10/15/32/1073101532.db2.gz VELREBSBUCQBBS-KRWDZBQOSA-N 2 0 426.587 -0.011 20 0 IBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000477479852 1073101642 /nfs/dbraw/zinc/10/16/42/1073101642.db2.gz VELREBSBUCQBBS-QGZVFWFLSA-N 2 0 426.587 -0.011 20 0 IBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000477528068 1073104786 /nfs/dbraw/zinc/10/47/86/1073104786.db2.gz RREOKFSSTWXYSK-UHFFFAOYSA-N 2 0 426.587 -0.010 20 0 IBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000477624785 1073111487 /nfs/dbraw/zinc/11/14/87/1073111487.db2.gz FTJZRRYEXOGFPM-UHFFFAOYSA-N 3 0 432.569 -0.063 20 0 IBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000477655090 1073114125 /nfs/dbraw/zinc/11/41/25/1073114125.db2.gz WAGIRAWNWKYNDA-UHFFFAOYSA-N 2 0 439.601 -0.044 20 0 IBADRP CC(C)(O)C[NH+]1CCN(c2cc(N3CC[NH+](CC(C)(C)O)CC3)n3ncnc3n2)CC1 ZINC000479971377 1073214263 /nfs/dbraw/zinc/21/42/63/1073214263.db2.gz RMPRCZNQLPTRPO-UHFFFAOYSA-N 2 0 432.573 -0.090 20 0 IBADRP Cc1nc(NCCN2CCC([NH+](C)C)CC2)nc(NCCN2CCC([NH+](C)C)CC2)n1 ZINC000480121020 1073316888 /nfs/dbraw/zinc/31/68/88/1073316888.db2.gz VFAVLMVJHZPZTA-UHFFFAOYSA-N 2 0 433.649 -0.100 20 0 IBADRP 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 1073215137 /nfs/dbraw/zinc/21/51/37/1073215137.db2.gz VYJUKGTVYUGBDV-BDXSIMOUSA-N 2 0 432.573 -0.093 20 0 IBADRP 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 1073215230 /nfs/dbraw/zinc/21/52/30/1073215230.db2.gz VYJUKGTVYUGBDV-MHORFTMASA-N 2 0 432.573 -0.093 20 0 IBADRP 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 1073215114 /nfs/dbraw/zinc/21/51/14/1073215114.db2.gz VYJUKGTVYUGBDV-OWSLCNJRSA-N 2 0 432.573 -0.093 20 0 IBADRP 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 1073215044 /nfs/dbraw/zinc/21/50/44/1073215044.db2.gz VYJUKGTVYUGBDV-XSLAGTTESA-N 2 0 432.573 -0.093 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481865695 1073405537 /nfs/dbraw/zinc/40/55/37/1073405537.db2.gz MFCVHZLWUQUVFK-INIZCTEOSA-N 2 0 425.621 -0.844 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481865700 1073405606 /nfs/dbraw/zinc/40/56/06/1073405606.db2.gz MFCVHZLWUQUVFK-MRXNPFEDSA-N 2 0 425.621 -0.844 20 0 IBADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000482582257 1073420333 /nfs/dbraw/zinc/42/03/33/1073420333.db2.gz VPVFDMUWLQSZOR-UHFFFAOYSA-N 2 0 432.525 -0.152 20 0 IBADRP 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 1072824202 /nfs/dbraw/zinc/82/42/02/1072824202.db2.gz UJUZNNFXYHAADV-LVNJIZSUSA-N 2 0 426.510 -0.630 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105415 1073470631 /nfs/dbraw/zinc/47/06/31/1073470631.db2.gz GOHCIXYMEKMXLD-MOPGFXCFSA-N 2 0 435.569 -0.535 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105417 1073470552 /nfs/dbraw/zinc/47/05/52/1073470552.db2.gz GOHCIXYMEKMXLD-OALUTQOASA-N 2 0 435.569 -0.535 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105420 1073470677 /nfs/dbraw/zinc/47/06/77/1073470677.db2.gz GOHCIXYMEKMXLD-RBUKOAKNSA-N 2 0 435.569 -0.535 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105423 1073470578 /nfs/dbraw/zinc/47/05/78/1073470578.db2.gz GOHCIXYMEKMXLD-RTBURBONSA-N 2 0 435.569 -0.535 20 0 IBADRP Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)cc(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000485702406 1073533860 /nfs/dbraw/zinc/53/38/60/1073533860.db2.gz SNVCDYGMJRKLAS-UHFFFAOYSA-N 2 0 430.597 -0.051 20 0 IBADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000486255914 1073544156 /nfs/dbraw/zinc/54/41/56/1073544156.db2.gz WSLINKSASQIGKP-MOPGFXCFSA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000486255923 1073544320 /nfs/dbraw/zinc/54/43/20/1073544320.db2.gz WSLINKSASQIGKP-OALUTQOASA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cn1)N1CC[NH+](C)CC1 ZINC000486255927 1073544345 /nfs/dbraw/zinc/54/43/45/1073544345.db2.gz WSLINKSASQIGKP-RBUKOAKNSA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000486255930 1073544177 /nfs/dbraw/zinc/54/41/77/1073544177.db2.gz WSLINKSASQIGKP-RTBURBONSA-N 2 0 445.612 -0.187 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(CCCN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000487416836 1072442414 /nfs/dbraw/zinc/44/24/14/1072442414.db2.gz CTFJNINSMQIHPY-UHFFFAOYSA-N 2 0 434.629 -0.144 20 0 IBADRP Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnc21 ZINC000489006206 1073598788 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ZINC000489712684 1073621726 /nfs/dbraw/zinc/62/17/26/1073621726.db2.gz VSDNGABPIZELOB-HZPDHXFCSA-N 2 0 426.605 -0.970 20 0 IBADRP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489712687 1073621544 /nfs/dbraw/zinc/62/15/44/1073621544.db2.gz VSDNGABPIZELOB-IYBDPMFKSA-N 2 0 426.605 -0.970 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000490287535 1073638813 /nfs/dbraw/zinc/63/88/13/1073638813.db2.gz MPJQIALKQMNZQP-GOSISDBHSA-N 2 0 441.536 -0.110 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000490287551 1073638867 /nfs/dbraw/zinc/63/88/67/1073638867.db2.gz MPJQIALKQMNZQP-SFHVURJKSA-N 2 0 441.536 -0.110 20 0 IBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)CCO1 ZINC000490351749 1073641687 /nfs/dbraw/zinc/64/16/87/1073641687.db2.gz DQUWHWZUWYPPDG-INIZCTEOSA-N 2 0 449.556 -0.789 20 0 IBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)CCO1 ZINC000490351750 1073641844 /nfs/dbraw/zinc/64/18/44/1073641844.db2.gz DQUWHWZUWYPPDG-MRXNPFEDSA-N 2 0 449.556 -0.789 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000490386589 1073644777 /nfs/dbraw/zinc/64/47/77/1073644777.db2.gz UUKFHDSGVHVGJZ-UHFFFAOYSA-N 2 0 449.556 -0.930 20 0 IBADRP 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 1073645522 /nfs/dbraw/zinc/64/55/22/1073645522.db2.gz UIGIJWWVZJMYBE-BBWFWOEESA-N 2 0 435.573 -0.018 20 0 IBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388123 1073645544 /nfs/dbraw/zinc/64/55/44/1073645544.db2.gz UIGIJWWVZJMYBE-BRWVUGGUSA-N 2 0 435.573 -0.018 20 0 IBADRP 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 1073645645 /nfs/dbraw/zinc/64/56/45/1073645645.db2.gz UIGIJWWVZJMYBE-IXDOHACOSA-N 2 0 435.573 -0.018 20 0 IBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388127 1073645667 /nfs/dbraw/zinc/64/56/67/1073645667.db2.gz UIGIJWWVZJMYBE-ZACQAIPSSA-N 2 0 435.573 -0.018 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000490407146 1073645564 /nfs/dbraw/zinc/64/55/64/1073645564.db2.gz JPXWBROBUUWIRN-UHFFFAOYSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000490444953 1073649558 /nfs/dbraw/zinc/64/95/58/1073649558.db2.gz MOZRRSATHQYXQK-UHFFFAOYSA-N 2 0 449.556 -0.930 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000490461093 1073648091 /nfs/dbraw/zinc/64/80/91/1073648091.db2.gz NOBLXSUVGMWHBG-GOSISDBHSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000490461095 1073647961 /nfs/dbraw/zinc/64/79/61/1073647961.db2.gz NOBLXSUVGMWHBG-SFHVURJKSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000490470889 1073650629 /nfs/dbraw/zinc/65/06/29/1073650629.db2.gz NCMFUBVHSFNEEU-UHFFFAOYSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000490471912 1073650863 /nfs/dbraw/zinc/65/08/63/1073650863.db2.gz UDSWFESBMOJYMF-GOSISDBHSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000490471913 1073650889 /nfs/dbraw/zinc/65/08/89/1073650889.db2.gz UDSWFESBMOJYMF-SFHVURJKSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000490472730 1073650896 /nfs/dbraw/zinc/65/08/96/1073650896.db2.gz TZUGRCCTDZSQSB-KRWDZBQOSA-N 2 0 449.556 -0.930 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000490472731 1073650761 /nfs/dbraw/zinc/65/07/61/1073650761.db2.gz TZUGRCCTDZSQSB-QGZVFWFLSA-N 2 0 449.556 -0.930 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000490488369 1073650161 /nfs/dbraw/zinc/65/01/61/1073650161.db2.gz YVGJXWNGDYATHC-KRWDZBQOSA-N 2 0 433.557 -0.166 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000490488370 1073650097 /nfs/dbraw/zinc/65/00/97/1073650097.db2.gz YVGJXWNGDYATHC-QGZVFWFLSA-N 2 0 433.557 -0.166 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000490500621 1073652126 /nfs/dbraw/zinc/65/21/26/1073652126.db2.gz KZLPDLWECLQHTC-KRWDZBQOSA-N 2 0 433.557 -0.120 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000490500622 1073651898 /nfs/dbraw/zinc/65/18/98/1073651898.db2.gz KZLPDLWECLQHTC-QGZVFWFLSA-N 2 0 433.557 -0.120 20 0 IBADRP CC1(C)C(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490883494 1073665452 /nfs/dbraw/zinc/66/54/52/1073665452.db2.gz BJQMHCHWBFNWBN-HTAFUYNTSA-N 2 0 446.640 -0.198 20 0 IBADRP CC1(C)C(NC(=O)[C@H]2C[NH+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490883502 1073666118 /nfs/dbraw/zinc/66/61/18/1073666118.db2.gz BJQMHCHWBFNWBN-NFAVZRQZSA-N 2 0 446.640 -0.198 20 0 IBADRP CC1(C)C(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C(C)(C)C1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000490883503 1073666068 /nfs/dbraw/zinc/66/60/68/1073666068.db2.gz BJQMHCHWBFNWBN-OTXOEQGISA-N 2 0 446.640 -0.198 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000491558606 1072585766 /nfs/dbraw/zinc/58/57/66/1072585766.db2.gz GOPWQNSPHPWXQK-UHFFFAOYSA-N 2 0 433.557 -0.024 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000491571630 1072587059 /nfs/dbraw/zinc/58/70/59/1072587059.db2.gz GIGKGFAMIANKIR-GOSISDBHSA-N 2 0 425.559 -0.947 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1 ZINC000491571631 1072586945 /nfs/dbraw/zinc/58/69/45/1072586945.db2.gz GIGKGFAMIANKIR-SFHVURJKSA-N 2 0 425.559 -0.947 20 0 IBADRP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[N@@H+](CCOC)CC3)O2)CC1 ZINC000495140918 1072662905 /nfs/dbraw/zinc/66/29/05/1072662905.db2.gz SJRWKGAXSWEESN-BGYRXZFFSA-N 2 0 440.585 -0.105 20 0 IBADRP COCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCC[N@@H+](CCOC)CC3)O2)CC1 ZINC000495140922 1072663388 /nfs/dbraw/zinc/66/33/88/1072663388.db2.gz SJRWKGAXSWEESN-PMACEKPBSA-N 2 0 440.585 -0.105 20 0 IBADRP COCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCC[N@@H+](CCOC)CC3)O2)CC1 ZINC000495140923 1072663511 /nfs/dbraw/zinc/66/35/11/1072663511.db2.gz SJRWKGAXSWEESN-WOJBJXKFSA-N 2 0 440.585 -0.105 20 0 IBADRP Cn1c(=O)c2cc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cnc2n(C)c1=O ZINC000498526398 1072853464 /nfs/dbraw/zinc/85/34/64/1072853464.db2.gz AWWCKUKMDBLAKQ-UHFFFAOYSA-N 2 0 437.504 -0.031 20 0 IBADRP Cn1c(=O)c2ccc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2n(C)c1=O ZINC000498532177 1072288147 /nfs/dbraw/zinc/28/81/47/1072288147.db2.gz QJCCOUHAFPMIQR-UHFFFAOYSA-N 2 0 437.504 -0.031 20 0 IBADRP Cn1cnc2c1c(=O)n(CC(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)c(=O)n2C ZINC000498536989 1072854230 /nfs/dbraw/zinc/85/42/30/1072854230.db2.gz ORFDIPKRDUCXBS-UHFFFAOYSA-N 2 0 440.508 -0.843 20 0 IBADRP Cn1c2ncn(CC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c(=O)n(C)c1=O ZINC000498539005 1072855943 /nfs/dbraw/zinc/85/59/43/1072855943.db2.gz HFFVEDKECYHLPO-UHFFFAOYSA-N 2 0 440.508 -0.843 20 0 IBADRP NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000499431931 1073149968 /nfs/dbraw/zinc/14/99/68/1073149968.db2.gz HBWVMXCWLKFSDT-UHFFFAOYSA-N 2 0 446.533 -0.004 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000500060469 1071366861 /nfs/dbraw/zinc/36/68/61/1071366861.db2.gz MMXIKXNQUOHHCZ-HKUYNNGSSA-N 2 0 449.577 -0.255 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000500060470 1071366926 /nfs/dbraw/zinc/36/69/26/1071366926.db2.gz MMXIKXNQUOHHCZ-IEBWSBKVSA-N 2 0 449.577 -0.255 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000500060471 1071366879 /nfs/dbraw/zinc/36/68/79/1071366879.db2.gz MMXIKXNQUOHHCZ-MJGOQNOKSA-N 2 0 449.577 -0.255 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000500060472 1071366899 /nfs/dbraw/zinc/36/68/99/1071366899.db2.gz MMXIKXNQUOHHCZ-PKOBYXMFSA-N 2 0 449.577 -0.255 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501581671 1071661514 /nfs/dbraw/zinc/66/15/14/1071661514.db2.gz GEQOYOIOPGHNIX-GOSISDBHSA-N 2 0 437.585 -0.384 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501581672 1071661551 /nfs/dbraw/zinc/66/15/51/1071661551.db2.gz GEQOYOIOPGHNIX-SFHVURJKSA-N 2 0 437.585 -0.384 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501585934 1071662002 /nfs/dbraw/zinc/66/20/02/1071662002.db2.gz CQXVHRKJAQGWTB-HKUYNNGSSA-N 2 0 435.569 -0.632 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501585935 1071662063 /nfs/dbraw/zinc/66/20/63/1071662063.db2.gz CQXVHRKJAQGWTB-IEBWSBKVSA-N 2 0 435.569 -0.632 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501585936 1071662088 /nfs/dbraw/zinc/66/20/88/1071662088.db2.gz CQXVHRKJAQGWTB-MJGOQNOKSA-N 2 0 435.569 -0.632 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501585937 1071662074 /nfs/dbraw/zinc/66/20/74/1071662074.db2.gz CQXVHRKJAQGWTB-PKOBYXMFSA-N 2 0 435.569 -0.632 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501636786 1071664492 /nfs/dbraw/zinc/66/44/92/1071664492.db2.gz FVTZDSYBMAYTRH-GOSISDBHSA-N 2 0 435.569 -0.630 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501636787 1071664605 /nfs/dbraw/zinc/66/46/05/1071664605.db2.gz FVTZDSYBMAYTRH-SFHVURJKSA-N 2 0 435.569 -0.630 20 0 IBADRP CC[NH+]1CC[C@H]2OCCN(C(=O)COCC(=O)N3CCO[C@@H]4CC[N@@H+](CC)C[C@@H]43)[C@H]2C1 ZINC000502664392 1071698183 /nfs/dbraw/zinc/69/81/83/1071698183.db2.gz ZCTGBVMBUBMPLI-VNTMZGSJSA-N 2 0 438.569 -0.354 20 0 IBADRP CNC(=O)Cn1nc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000504480024 1073314959 /nfs/dbraw/zinc/31/49/59/1073314959.db2.gz FGWKHXULQIPLHG-UHFFFAOYSA-N 2 0 442.524 -0.400 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000505773657 1071901051 /nfs/dbraw/zinc/90/10/51/1071901051.db2.gz QPKVWDYHIBCFJG-INIZCTEOSA-N 2 0 433.557 -0.302 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000505773660 1071900996 /nfs/dbraw/zinc/90/09/96/1071900996.db2.gz QPKVWDYHIBCFJG-MRXNPFEDSA-N 2 0 433.557 -0.302 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000505802411 1071908049 /nfs/dbraw/zinc/90/80/49/1071908049.db2.gz PHXIDFSSGDZTDU-KSZLIROESA-N 2 0 428.599 -0.104 20 0 IBADRP 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COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1S(=O)(=O)N(C)C ZINC000527374376 1072806943 /nfs/dbraw/zinc/80/69/43/1072806943.db2.gz WJJLCANYXPTCQN-UHFFFAOYSA-N 2 0 443.570 -0.164 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000530641195 1072829072 /nfs/dbraw/zinc/82/90/72/1072829072.db2.gz JSNOVJUGILELAI-UHFFFAOYSA-N 2 0 425.555 -0.628 20 0 IBADRP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000530642381 1072829377 /nfs/dbraw/zinc/82/93/77/1072829377.db2.gz PCRJPFSYEVQJMR-UHFFFAOYSA-N 2 0 427.571 -0.382 20 0 IBADRP O=C(COCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000530918637 1072833584 /nfs/dbraw/zinc/83/35/84/1072833584.db2.gz CMRMCZJNOOCIRR-BGYRXZFFSA-N 2 0 438.569 -0.636 20 0 IBADRP O=C(COCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000530918643 1072833461 /nfs/dbraw/zinc/83/34/61/1072833461.db2.gz CMRMCZJNOOCIRR-PMACEKPBSA-N 2 0 438.569 -0.636 20 0 IBADRP O=C(COCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000530918644 1072833691 /nfs/dbraw/zinc/83/36/91/1072833691.db2.gz CMRMCZJNOOCIRR-WOJBJXKFSA-N 2 0 438.569 -0.636 20 0 IBADRP O=C(COCC(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000531097797 1072837599 /nfs/dbraw/zinc/83/75/99/1072837599.db2.gz RMQUCENVBAYVHW-UHFFFAOYSA-N 2 0 438.569 -0.351 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000531118673 1072838141 /nfs/dbraw/zinc/83/81/41/1072838141.db2.gz DYZDTKJLYKDSSY-UHFFFAOYSA-N 2 0 425.555 -0.628 20 0 IBADRP CC(C)[NH+]1CCC(O)(CNC(=O)COCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000532376115 1072862179 /nfs/dbraw/zinc/86/21/79/1072862179.db2.gz VCPYXJMEBFLPOR-UHFFFAOYSA-N 2 0 442.601 -0.294 20 0 IBADRP O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)N1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000533275528 1072930353 /nfs/dbraw/zinc/93/03/53/1072930353.db2.gz AZMXPJLLHBRMGG-FGZHOGPDSA-N 2 0 446.640 -0.003 20 0 IBADRP 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433.557 -0.310 20 0 IBADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000534954663 1072430649 /nfs/dbraw/zinc/43/06/49/1072430649.db2.gz SGGUZBUYFYYYRV-KRWDZBQOSA-N 2 0 425.599 -0.050 20 0 IBADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000534954665 1072430860 /nfs/dbraw/zinc/43/08/60/1072430860.db2.gz SGGUZBUYFYYYRV-QGZVFWFLSA-N 2 0 425.599 -0.050 20 0 IBADRP O=C(NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535010232 1072432142 /nfs/dbraw/zinc/43/21/42/1072432142.db2.gz PENHLOCQJLUKBD-ANULTFPQSA-N 2 0 432.613 -0.443 20 0 IBADRP O=C(N[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535010233 1072432037 /nfs/dbraw/zinc/43/20/37/1072432037.db2.gz PENHLOCQJLUKBD-IVAOSVALSA-N 2 0 432.613 -0.443 20 0 IBADRP O=C(NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535010234 1072431986 /nfs/dbraw/zinc/43/19/86/1072431986.db2.gz 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C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000550683365 1073015004 /nfs/dbraw/zinc/01/50/04/1073015004.db2.gz RGFSLKGZEAFADE-UHFFFAOYSA-N 2 0 431.585 -0.408 20 0 IBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC000550778732 1073025745 /nfs/dbraw/zinc/02/57/45/1073025745.db2.gz LOVGTGVJXXVRKK-NRFANRHFSA-N 2 0 436.645 -0.139 20 0 IBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N1CC[NH+](C)CC1 ZINC000550778733 1073025784 /nfs/dbraw/zinc/02/57/84/1073025784.db2.gz LOVGTGVJXXVRKK-OAQYLSRUSA-N 2 0 436.645 -0.139 20 0 IBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000550779097 1073026881 /nfs/dbraw/zinc/02/68/81/1073026881.db2.gz NWAUOCKQANOYHW-IBGZPJMESA-N 2 0 436.601 -0.859 20 0 IBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000550779098 1073026666 /nfs/dbraw/zinc/02/66/66/1073026666.db2.gz NWAUOCKQANOYHW-LJQANCHMSA-N 2 0 436.601 -0.859 20 0 IBADRP 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IBADRP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000551120537 1073065061 /nfs/dbraw/zinc/06/50/61/1073065061.db2.gz BYYZGDDLMJXDNC-RXVVDRJESA-N 2 0 431.581 -0.131 20 0 IBADRP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000551120539 1073065172 /nfs/dbraw/zinc/06/51/72/1073065172.db2.gz BYYZGDDLMJXDNC-WIYYLYMNSA-N 2 0 431.581 -0.131 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000551123419 1073063934 /nfs/dbraw/zinc/06/39/34/1073063934.db2.gz HNFFNVNAQTWBOP-HKBOAZHASA-N 2 0 436.645 -0.139 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000551123420 1073064144 /nfs/dbraw/zinc/06/41/44/1073064144.db2.gz HNFFNVNAQTWBOP-NJDAHSKKSA-N 2 0 436.645 -0.139 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000551123421 1073064161 /nfs/dbraw/zinc/06/41/61/1073064161.db2.gz HNFFNVNAQTWBOP-NJYVYQBISA-N 2 0 436.645 -0.139 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000551123422 1073064177 /nfs/dbraw/zinc/06/41/77/1073064177.db2.gz HNFFNVNAQTWBOP-QHAWAJNXSA-N 2 0 436.645 -0.139 20 0 IBADRP 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 1073064059 /nfs/dbraw/zinc/06/40/59/1073064059.db2.gz IVKHRQIJYNTILR-CBQMWWCCSA-N 2 0 434.629 -0.245 20 0 IBADRP 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 1073064228 /nfs/dbraw/zinc/06/42/28/1073064228.db2.gz IVKHRQIJYNTILR-MQEZQYLSSA-N 2 0 434.629 -0.245 20 0 IBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142772 1073067101 /nfs/dbraw/zinc/06/71/01/1073067101.db2.gz KDWYATRSGHJMFA-MSOLQXFVSA-N 2 0 443.552 -0.295 20 0 IBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142773 1073067398 /nfs/dbraw/zinc/06/73/98/1073067398.db2.gz KDWYATRSGHJMFA-QZTJIDSGSA-N 2 0 443.552 -0.295 20 0 IBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142774 1073067248 /nfs/dbraw/zinc/06/72/48/1073067248.db2.gz KDWYATRSGHJMFA-ROUUACIJSA-N 2 0 443.552 -0.295 20 0 IBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000551142775 1073067350 /nfs/dbraw/zinc/06/73/50/1073067350.db2.gz KDWYATRSGHJMFA-ZWKOTPCHSA-N 2 0 443.552 -0.295 20 0 IBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000551147824 1073066066 /nfs/dbraw/zinc/06/60/66/1073066066.db2.gz AQGJBLKFKWAXPX-FQEVSTJZSA-N 2 0 436.645 -0.138 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000551147825 1073065850 /nfs/dbraw/zinc/06/58/50/1073065850.db2.gz AQGJBLKFKWAXPX-HXUWFJFHSA-N 2 0 436.645 -0.138 20 0 IBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000551164654 1073068326 /nfs/dbraw/zinc/06/83/26/1073068326.db2.gz JHZKVTAZCJFRGO-NRFANRHFSA-N 2 0 430.597 -0.015 20 0 IBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000551164858 1073068371 /nfs/dbraw/zinc/06/83/71/1073068371.db2.gz JHZKVTAZCJFRGO-OAQYLSRUSA-N 2 0 430.597 -0.015 20 0 IBADRP CNC(=O)CN1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000551187848 1073069346 /nfs/dbraw/zinc/06/93/46/1073069346.db2.gz UJQHPOWJWCXENK-UHFFFAOYSA-N 2 0 445.568 -0.964 20 0 IBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000551625312 1073097307 /nfs/dbraw/zinc/09/73/07/1073097307.db2.gz KEOLUACCLODNHC-INIZCTEOSA-N 2 0 433.557 -0.168 20 0 IBADRP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000551625313 1073097117 /nfs/dbraw/zinc/09/71/17/1073097117.db2.gz KEOLUACCLODNHC-MRXNPFEDSA-N 2 0 433.557 -0.168 20 0 IBADRP CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000551699892 1073099740 /nfs/dbraw/zinc/09/97/40/1073099740.db2.gz VYYGQVBICCBQAL-HNNXBMFYSA-N 2 0 427.571 -0.276 20 0 IBADRP CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000551699900 1073099891 /nfs/dbraw/zinc/09/98/91/1073099891.db2.gz VYYGQVBICCBQAL-OAHLLOKOSA-N 2 0 427.571 -0.276 20 0 IBADRP COCC(=O)N1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000551801805 1073106894 /nfs/dbraw/zinc/10/68/94/1073106894.db2.gz KYIRTKCJYXFDKM-UHFFFAOYSA-N 2 0 446.552 -0.537 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1nnc2n1CCCC2 ZINC000551803433 1073106845 /nfs/dbraw/zinc/10/68/45/1073106845.db2.gz ZBTRCOZXGFAOPU-UHFFFAOYSA-N 2 0 426.525 -0.046 20 0 IBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000552414656 1073203773 /nfs/dbraw/zinc/20/37/73/1073203773.db2.gz XPTGMCQZJVCPSB-UHFFFAOYSA-N 2 0 446.596 -0.264 20 0 IBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cn2)CC1 ZINC000552550141 1073212483 /nfs/dbraw/zinc/21/24/83/1073212483.db2.gz LPIQTIQLUKYBPF-GOSISDBHSA-N 2 0 445.568 -0.847 20 0 IBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cn2)CC1 ZINC000552550142 1073212434 /nfs/dbraw/zinc/21/24/34/1073212434.db2.gz LPIQTIQLUKYBPF-SFHVURJKSA-N 2 0 445.568 -0.847 20 0 IBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554034 1073213034 /nfs/dbraw/zinc/21/30/34/1073213034.db2.gz OQPZIXFQFXMXGS-IBGZPJMESA-N 2 0 429.565 -0.095 20 0 IBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000552554035 1073212758 /nfs/dbraw/zinc/21/27/58/1073212758.db2.gz OQPZIXFQFXMXGS-LJQANCHMSA-N 2 0 429.565 -0.095 20 0 IBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552557328 1073213500 /nfs/dbraw/zinc/21/35/00/1073213500.db2.gz RYIAPVOUNQUIHL-INIZCTEOSA-N 2 0 425.574 -0.304 20 0 IBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552557332 1073213482 /nfs/dbraw/zinc/21/34/82/1073213482.db2.gz RYIAPVOUNQUIHL-MRXNPFEDSA-N 2 0 425.574 -0.304 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COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000557415659 1074699994 /nfs/dbraw/zinc/69/99/94/1074699994.db2.gz YBTGSPICZCGINB-GOSISDBHSA-N 2 0 446.552 -0.202 20 0 IBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000557415660 1074699919 /nfs/dbraw/zinc/69/99/19/1074699919.db2.gz YBTGSPICZCGINB-SFHVURJKSA-N 2 0 446.552 -0.202 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000557692025 1074707201 /nfs/dbraw/zinc/70/72/01/1074707201.db2.gz HVFAJZOCQVXMAF-GOSISDBHSA-N 2 0 435.569 -0.487 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000557692028 1074707246 /nfs/dbraw/zinc/70/72/46/1074707246.db2.gz HVFAJZOCQVXMAF-SFHVURJKSA-N 2 0 435.569 -0.487 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000558004083 1074716921 /nfs/dbraw/zinc/71/69/21/1074716921.db2.gz IBWZQSQFXPDTMH-GOSISDBHSA-N 2 0 425.574 -0.386 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000558004097 1074716837 /nfs/dbraw/zinc/71/68/37/1074716837.db2.gz IBWZQSQFXPDTMH-SFHVURJKSA-N 2 0 425.574 -0.386 20 0 IBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CC2)c1 ZINC000558007362 1074716940 /nfs/dbraw/zinc/71/69/40/1074716940.db2.gz UAEHDBOYYXGPGQ-UHFFFAOYSA-N 2 0 446.552 -0.202 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000558180793 1074722923 /nfs/dbraw/zinc/72/29/23/1074722923.db2.gz LGJCIWMHLJLGKR-UHFFFAOYSA-N 2 0 439.582 -0.206 20 0 IBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000558218190 1074724607 /nfs/dbraw/zinc/72/46/07/1074724607.db2.gz SBQGRSAXEAOLEB-IBGZPJMESA-N 2 0 438.617 -0.565 20 0 IBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000558218194 1074724978 /nfs/dbraw/zinc/72/49/78/1074724978.db2.gz SBQGRSAXEAOLEB-LJQANCHMSA-N 2 0 438.617 -0.565 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000558416936 1072161884 /nfs/dbraw/zinc/16/18/84/1072161884.db2.gz PRXNQLAGGYEZEJ-UHFFFAOYSA-N 2 0 431.545 -0.251 20 0 IBADRP CC(C)(CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000559379590 1072183207 /nfs/dbraw/zinc/18/32/07/1072183207.db2.gz OPCCUOCNRFQHSX-UHFFFAOYSA-N 2 0 432.569 -0.063 20 0 IBADRP CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000559589092 1072197786 /nfs/dbraw/zinc/19/77/86/1072197786.db2.gz KNTITMRAEMCBOC-UHFFFAOYSA-N 2 0 427.571 -0.495 20 0 IBADRP COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000559596495 1072199656 /nfs/dbraw/zinc/19/96/56/1072199656.db2.gz CLATZQCQHVVYJO-UHFFFAOYSA-N 2 0 429.481 -0.131 20 0 IBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000559663456 1072204727 /nfs/dbraw/zinc/20/47/27/1072204727.db2.gz ZRSVJJZDCFLIGB-IBGZPJMESA-N 2 0 431.537 -0.473 20 0 IBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000559663459 1072204687 /nfs/dbraw/zinc/20/46/87/1072204687.db2.gz ZRSVJJZDCFLIGB-LJQANCHMSA-N 2 0 431.537 -0.473 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000559683133 1072208329 /nfs/dbraw/zinc/20/83/29/1072208329.db2.gz ZEYJUYRTPCJDBG-UHFFFAOYSA-N 2 0 442.564 -0.071 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCNC(=O)c1cccnc1 ZINC000559764113 1072213078 /nfs/dbraw/zinc/21/30/78/1072213078.db2.gz UHAXQRGYNWRVOK-UHFFFAOYSA-N 2 0 439.520 -0.349 20 0 IBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000559834717 1072218591 /nfs/dbraw/zinc/21/85/91/1072218591.db2.gz XNWJQDXNYZGGRD-WCRBZPEASA-N 2 0 434.629 -0.100 20 0 IBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)n1 ZINC000559845737 1072219103 /nfs/dbraw/zinc/21/91/03/1072219103.db2.gz UDWHWBUYTOXVSX-UHFFFAOYSA-N 2 0 429.481 0.491 20 0 IBADRP C[C@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000560015450 1072229298 /nfs/dbraw/zinc/22/92/98/1072229298.db2.gz HDCXVSLSPGNHFZ-GOSISDBHSA-N 2 0 431.585 -0.551 20 0 IBADRP C[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000560015455 1072229823 /nfs/dbraw/zinc/22/98/23/1072229823.db2.gz HDCXVSLSPGNHFZ-SFHVURJKSA-N 2 0 431.585 -0.551 20 0 IBADRP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCN(C)CC1 ZINC000560031568 1072230902 /nfs/dbraw/zinc/23/09/02/1072230902.db2.gz BFZYWEXNUZTDEG-GOSISDBHSA-N 2 0 431.585 -0.551 20 0 IBADRP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCN(C)CC1 ZINC000560031569 1072230768 /nfs/dbraw/zinc/23/07/68/1072230768.db2.gz BFZYWEXNUZTDEG-SFHVURJKSA-N 2 0 431.585 -0.551 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)cn2)CC1 ZINC000560034487 1072230729 /nfs/dbraw/zinc/23/07/29/1072230729.db2.gz RXLNTRWFQAXDFW-IBGZPJMESA-N 2 0 445.612 -0.161 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cn2)CC1 ZINC000560034488 1072230881 /nfs/dbraw/zinc/23/08/81/1072230881.db2.gz RXLNTRWFQAXDFW-LJQANCHMSA-N 2 0 445.612 -0.161 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036113 1072231436 /nfs/dbraw/zinc/23/14/36/1072231436.db2.gz VYKGZZMIHQIWHA-MOPGFXCFSA-N 2 0 436.601 -0.859 20 0 IBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036116 1071091527 /nfs/dbraw/zinc/09/15/27/1071091527.db2.gz VYKGZZMIHQIWHA-OALUTQOASA-N 2 0 436.601 -0.859 20 0 IBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036127 1072231608 /nfs/dbraw/zinc/23/16/08/1072231608.db2.gz VYKGZZMIHQIWHA-RBUKOAKNSA-N 2 0 436.601 -0.859 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000560036130 1072231649 /nfs/dbraw/zinc/23/16/49/1072231649.db2.gz VYKGZZMIHQIWHA-RTBURBONSA-N 2 0 436.601 -0.859 20 0 IBADRP 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 1072233099 /nfs/dbraw/zinc/23/30/99/1072233099.db2.gz DGSFYXAUEFPZQZ-BQFCYCMXSA-N 2 0 433.557 -0.312 20 0 IBADRP 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 1072233081 /nfs/dbraw/zinc/23/30/81/1072233081.db2.gz DGSFYXAUEFPZQZ-JZXOWHBKSA-N 2 0 433.557 -0.312 20 0 IBADRP 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 1072233026 /nfs/dbraw/zinc/23/30/26/1072233026.db2.gz DGSFYXAUEFPZQZ-LZLYRXPVSA-N 2 0 433.557 -0.312 20 0 IBADRP 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 1072233148 /nfs/dbraw/zinc/23/31/48/1072233148.db2.gz DGSFYXAUEFPZQZ-XYJFISCASA-N 2 0 433.557 -0.312 20 0 IBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C2)CC1 ZINC000560749453 1072246741 /nfs/dbraw/zinc/24/67/41/1072246741.db2.gz CLHGWPGINSMEBB-FQEVSTJZSA-N 2 0 443.596 -0.312 20 0 IBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C2)CC1 ZINC000560749454 1072246657 /nfs/dbraw/zinc/24/66/57/1072246657.db2.gz CLHGWPGINSMEBB-HXUWFJFHSA-N 2 0 443.596 -0.312 20 0 IBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)CC2)CC1 ZINC000560873006 1072249381 /nfs/dbraw/zinc/24/93/81/1072249381.db2.gz DDZDYEDHNBGYGS-UHFFFAOYSA-N 2 0 448.612 -0.572 20 0 IBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2)CC1 ZINC000560874039 1072249908 /nfs/dbraw/zinc/24/99/08/1072249908.db2.gz GZFXGDBHFYKQJI-FQEVSTJZSA-N 2 0 448.612 -0.574 20 0 IBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2)CC1 ZINC000560874040 1072249943 /nfs/dbraw/zinc/24/99/43/1072249943.db2.gz GZFXGDBHFYKQJI-HXUWFJFHSA-N 2 0 448.612 -0.574 20 0 IBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000560890314 1072251485 /nfs/dbraw/zinc/25/14/85/1072251485.db2.gz CQRPSFORQSREPI-BHIYHBOVSA-N 2 0 437.585 -0.426 20 0 IBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000560890319 1072251691 /nfs/dbraw/zinc/25/16/91/1072251691.db2.gz CQRPSFORQSREPI-NEWSRXKRSA-N 2 0 437.585 -0.426 20 0 IBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000560890324 1072251648 /nfs/dbraw/zinc/25/16/48/1072251648.db2.gz CQRPSFORQSREPI-NZSAHSFTSA-N 2 0 437.585 -0.426 20 0 IBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000560890329 1072251624 /nfs/dbraw/zinc/25/16/24/1072251624.db2.gz CQRPSFORQSREPI-QRQLOZEOSA-N 2 0 437.585 -0.426 20 0 IBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000560894947 1072252154 /nfs/dbraw/zinc/25/21/54/1072252154.db2.gz WGUWQQNYDOPUIV-MOPGFXCFSA-N 2 0 436.601 -0.683 20 0 IBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000560894952 1072252285 /nfs/dbraw/zinc/25/22/85/1072252285.db2.gz WGUWQQNYDOPUIV-OALUTQOASA-N 2 0 436.601 -0.683 20 0 IBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000560894954 1072252382 /nfs/dbraw/zinc/25/23/82/1072252382.db2.gz WGUWQQNYDOPUIV-RBUKOAKNSA-N 2 0 436.601 -0.683 20 0 IBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000560894956 1072252096 /nfs/dbraw/zinc/25/20/96/1072252096.db2.gz WGUWQQNYDOPUIV-RTBURBONSA-N 2 0 436.601 -0.683 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000560908909 1072254014 /nfs/dbraw/zinc/25/40/14/1072254014.db2.gz CBOYMKJLCKNVTP-UHFFFAOYSA-N 2 0 442.442 -0.100 20 0 IBADRP Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000560918632 1072255049 /nfs/dbraw/zinc/25/50/49/1072255049.db2.gz VTRNRTLUWCPJRD-GOSISDBHSA-N 2 0 440.552 -0.011 20 0 IBADRP Cc1nnc2n1C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000560918633 1072255030 /nfs/dbraw/zinc/25/50/30/1072255030.db2.gz VTRNRTLUWCPJRD-SFHVURJKSA-N 2 0 440.552 -0.011 20 0 IBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000561045640 1072263022 /nfs/dbraw/zinc/26/30/22/1072263022.db2.gz LVCNKIYPJZTELM-GOSISDBHSA-N 2 0 425.574 -0.650 20 0 IBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000561045644 1072262645 /nfs/dbraw/zinc/26/26/45/1072262645.db2.gz LVCNKIYPJZTELM-SFHVURJKSA-N 2 0 425.574 -0.650 20 0 IBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079367 1072264479 /nfs/dbraw/zinc/26/44/79/1072264479.db2.gz IVIRADYRSOGNLT-MOPGFXCFSA-N 2 0 436.601 -0.860 20 0 IBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079372 1072264653 /nfs/dbraw/zinc/26/46/53/1072264653.db2.gz IVIRADYRSOGNLT-OALUTQOASA-N 2 0 436.601 -0.860 20 0 IBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079374 1072264517 /nfs/dbraw/zinc/26/45/17/1072264517.db2.gz IVIRADYRSOGNLT-RBUKOAKNSA-N 2 0 436.601 -0.860 20 0 IBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CC[NH+](C)CC1 ZINC000561079375 1072264610 /nfs/dbraw/zinc/26/46/10/1072264610.db2.gz IVIRADYRSOGNLT-RTBURBONSA-N 2 0 436.601 -0.860 20 0 IBADRP Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000561128395 1072266339 /nfs/dbraw/zinc/26/63/39/1072266339.db2.gz RBFJNWIXQPRYSV-KRWDZBQOSA-N 2 0 426.525 -0.259 20 0 IBADRP Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000561128399 1072266360 /nfs/dbraw/zinc/26/63/60/1072266360.db2.gz RBFJNWIXQPRYSV-QGZVFWFLSA-N 2 0 426.525 -0.259 20 0 IBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275238 1072272138 /nfs/dbraw/zinc/27/21/38/1072272138.db2.gz SNOHNHJFOCVXPZ-PMACEKPBSA-N 2 0 445.564 -0.163 20 0 IBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275239 1072272030 /nfs/dbraw/zinc/27/20/30/1072272030.db2.gz SNOHNHJFOCVXPZ-UXHICEINSA-N 2 0 445.564 -0.163 20 0 IBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000561275240 1072272088 /nfs/dbraw/zinc/27/20/88/1072272088.db2.gz SNOHNHJFOCVXPZ-VQTJNVASSA-N 2 0 445.564 -0.163 20 0 IBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000561275241 1072271952 /nfs/dbraw/zinc/27/19/52/1072271952.db2.gz SNOHNHJFOCVXPZ-WOJBJXKFSA-N 2 0 445.564 -0.163 20 0 IBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000561452039 1072279017 /nfs/dbraw/zinc/27/90/17/1072279017.db2.gz AZWWJROJCJIRKO-GOSISDBHSA-N 2 0 439.601 -0.234 20 0 IBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000561452042 1072279074 /nfs/dbraw/zinc/27/90/74/1072279074.db2.gz AZWWJROJCJIRKO-SFHVURJKSA-N 2 0 439.601 -0.234 20 0 IBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000561597770 1072285629 /nfs/dbraw/zinc/28/56/29/1072285629.db2.gz XOAXCRQSILOHNI-GOSISDBHSA-N 2 0 437.585 -0.243 20 0 IBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000561597778 1072285757 /nfs/dbraw/zinc/28/57/57/1072285757.db2.gz XOAXCRQSILOHNI-SFHVURJKSA-N 2 0 437.585 -0.243 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000561678066 1072288580 /nfs/dbraw/zinc/28/85/80/1072288580.db2.gz IIXAXZWSUPQIRW-GOSISDBHSA-N 2 0 425.574 -0.384 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000561678069 1072288410 /nfs/dbraw/zinc/28/84/10/1072288410.db2.gz IIXAXZWSUPQIRW-SFHVURJKSA-N 2 0 425.574 -0.384 20 0 IBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000561740561 1072291468 /nfs/dbraw/zinc/29/14/68/1072291468.db2.gz MTLZHSOWPWCHOH-KRWDZBQOSA-N 2 0 437.585 -0.243 20 0 IBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(CCO)CC3)CC2)c1 ZINC000562157169 1072309778 /nfs/dbraw/zinc/30/97/78/1072309778.db2.gz ONDGDVAEJOEYTJ-UHFFFAOYSA-N 2 0 448.568 -0.755 20 0 IBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161639 1072310925 /nfs/dbraw/zinc/31/09/25/1072310925.db2.gz XMKCYUMHQCUJMP-CTNGQTDRSA-N 2 0 435.613 -0.032 20 0 IBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161640 1072310829 /nfs/dbraw/zinc/31/08/29/1072310829.db2.gz XMKCYUMHQCUJMP-FPOVZHCZSA-N 2 0 435.613 -0.032 20 0 IBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161641 1072311045 /nfs/dbraw/zinc/31/10/45/1072311045.db2.gz XMKCYUMHQCUJMP-PZJWPPBQSA-N 2 0 435.613 -0.032 20 0 IBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562161642 1071205382 /nfs/dbraw/zinc/20/53/82/1071205382.db2.gz XMKCYUMHQCUJMP-TZIWHRDSSA-N 2 0 435.613 -0.032 20 0 IBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000562860522 1072322915 /nfs/dbraw/zinc/32/29/15/1072322915.db2.gz CSGPHXPIJNVCGN-KRWDZBQOSA-N 2 0 430.553 -0.134 20 0 IBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000562860523 1072322829 /nfs/dbraw/zinc/32/28/29/1072322829.db2.gz CSGPHXPIJNVCGN-QGZVFWFLSA-N 2 0 430.553 -0.134 20 0 IBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000562866382 1071224541 /nfs/dbraw/zinc/22/45/41/1071224541.db2.gz NOXMURRTPNRXCM-IBGZPJMESA-N 2 0 437.585 -0.384 20 0 IBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000562866386 1072323461 /nfs/dbraw/zinc/32/34/61/1072323461.db2.gz NOXMURRTPNRXCM-LJQANCHMSA-N 2 0 437.585 -0.384 20 0 IBADRP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000562937627 1072325129 /nfs/dbraw/zinc/32/51/29/1072325129.db2.gz UDFRPAQNYAVENA-AABGKKOBSA-N 2 0 434.629 -0.197 20 0 IBADRP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000562937628 1072325237 /nfs/dbraw/zinc/32/52/37/1072325237.db2.gz UDFRPAQNYAVENA-AQNXPRMDSA-N 2 0 434.629 -0.197 20 0 IBADRP CC(C)(C)C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000562937629 1072325369 /nfs/dbraw/zinc/32/53/69/1072325369.db2.gz UDFRPAQNYAVENA-HSALFYBXSA-N 2 0 434.629 -0.197 20 0 IBADRP CC(C)(C)C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000562937630 1072324978 /nfs/dbraw/zinc/32/49/78/1072324978.db2.gz UDFRPAQNYAVENA-VAMGGRTRSA-N 2 0 434.629 -0.197 20 0 IBADRP O=C(NC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000563857100 1072335310 /nfs/dbraw/zinc/33/53/10/1072335310.db2.gz PBJJZZCPIPBNOW-ACRUOGEOSA-N 2 0 432.613 -0.443 20 0 IBADRP O=C(NC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000563857101 1072335481 /nfs/dbraw/zinc/33/54/81/1072335481.db2.gz PBJJZZCPIPBNOW-HBMCJLEFSA-N 2 0 432.613 -0.443 20 0 IBADRP O=C(N[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000563857102 1072335537 /nfs/dbraw/zinc/33/55/37/1072335537.db2.gz PBJJZZCPIPBNOW-PCCBWWKXSA-N 2 0 432.613 -0.443 20 0 IBADRP O=C(NC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CCCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000563857103 1072335578 /nfs/dbraw/zinc/33/55/78/1072335578.db2.gz PBJJZZCPIPBNOW-PWRODBHTSA-N 2 0 432.613 -0.443 20 0 IBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2)CC1 ZINC000564113299 1072342296 /nfs/dbraw/zinc/34/22/96/1072342296.db2.gz KFFUXDLASCJQBV-IBGZPJMESA-N 2 0 432.569 -0.123 20 0 IBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2)CC1 ZINC000564113300 1072342239 /nfs/dbraw/zinc/34/22/39/1072342239.db2.gz KFFUXDLASCJQBV-LJQANCHMSA-N 2 0 432.569 -0.123 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000565913339 1072370014 /nfs/dbraw/zinc/37/00/14/1072370014.db2.gz DOAWWNCJEGLLLX-AQNXPRMDSA-N 2 0 449.596 -0.365 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000565913340 1072370083 /nfs/dbraw/zinc/37/00/83/1072370083.db2.gz DOAWWNCJEGLLLX-VAMGGRTRSA-N 2 0 449.596 -0.365 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000565913341 1072370116 /nfs/dbraw/zinc/37/01/16/1072370116.db2.gz DOAWWNCJEGLLLX-XUVXKRRUSA-N 2 0 449.596 -0.365 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000565913342 1072369877 /nfs/dbraw/zinc/36/98/77/1072369877.db2.gz DOAWWNCJEGLLLX-ZCNNSNEGSA-N 2 0 449.596 -0.365 20 0 IBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000566334248 1072372760 /nfs/dbraw/zinc/37/27/60/1072372760.db2.gz OYCTWGWUHSDUIX-GOSISDBHSA-N 2 0 425.574 -0.482 20 0 IBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000566334252 1072372824 /nfs/dbraw/zinc/37/28/24/1072372824.db2.gz OYCTWGWUHSDUIX-SFHVURJKSA-N 2 0 425.574 -0.482 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000566390286 1072373510 /nfs/dbraw/zinc/37/35/10/1072373510.db2.gz LHWHTAGOVNVKNK-UHFFFAOYSA-N 2 0 425.574 -0.384 20 0 IBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000566696099 1072377967 /nfs/dbraw/zinc/37/79/67/1072377967.db2.gz LQKKIJFRGVMTIV-KRWDZBQOSA-N 2 0 425.574 -0.434 20 0 IBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000566696103 1072377921 /nfs/dbraw/zinc/37/79/21/1072377921.db2.gz LQKKIJFRGVMTIV-QGZVFWFLSA-N 2 0 425.574 -0.434 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCN(c2cncc(N3CC[NH+](CCC(=O)N(C)C)CC3)n2)CC1 ZINC000567252341 1072388888 /nfs/dbraw/zinc/38/88/88/1072388888.db2.gz OHXPXNMFFWRRTI-UHFFFAOYSA-N 2 0 446.600 -0.323 20 0 IBADRP CC1(C)COCCN1CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000567770472 1072396234 /nfs/dbraw/zinc/39/62/34/1072396234.db2.gz NNAYJNXHPQEPRN-UHFFFAOYSA-N 2 0 432.569 -0.063 20 0 IBADRP C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000568541408 1072408231 /nfs/dbraw/zinc/40/82/31/1072408231.db2.gz QPZSHEXYDFWECE-GOSISDBHSA-N 2 0 431.585 -0.551 20 0 IBADRP C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000568541428 1072409071 /nfs/dbraw/zinc/40/90/71/1072409071.db2.gz QPZSHEXYDFWECE-SFHVURJKSA-N 2 0 431.585 -0.551 20 0 IBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccn2)CC1 ZINC000568556249 1072409491 /nfs/dbraw/zinc/40/94/91/1072409491.db2.gz JOTCLIFSBSLDER-PMACEKPBSA-N 2 0 444.580 -0.056 20 0 IBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccn2)CC1 ZINC000568556253 1072409566 /nfs/dbraw/zinc/40/95/66/1072409566.db2.gz JOTCLIFSBSLDER-UXHICEINSA-N 2 0 444.580 -0.056 20 0 IBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)ccn2)CC1 ZINC000568556254 1072409588 /nfs/dbraw/zinc/40/95/88/1072409588.db2.gz JOTCLIFSBSLDER-VQTJNVASSA-N 2 0 444.580 -0.056 20 0 IBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)ccn2)CC1 ZINC000568556256 1072409628 /nfs/dbraw/zinc/40/96/28/1072409628.db2.gz JOTCLIFSBSLDER-WOJBJXKFSA-N 2 0 444.580 -0.056 20 0 IBADRP CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000569151572 1072421221 /nfs/dbraw/zinc/42/12/21/1072421221.db2.gz PKGBQLMUYSRLAR-QUCCMNQESA-N 2 0 447.584 -0.177 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000569285520 1072424804 /nfs/dbraw/zinc/42/48/04/1072424804.db2.gz QSRCVVWWAJPDLM-GOSISDBHSA-N 2 0 446.552 -0.597 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000569285521 1072424722 /nfs/dbraw/zinc/42/47/22/1072424722.db2.gz QSRCVVWWAJPDLM-SFHVURJKSA-N 2 0 446.552 -0.597 20 0 IBADRP O=C(NC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000569421136 1072427158 /nfs/dbraw/zinc/42/71/58/1072427158.db2.gz VYUWIAJKHZNQLQ-BDTNDASRSA-N 2 0 440.592 -0.260 20 0 IBADRP O=C(NC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000569421137 1072427103 /nfs/dbraw/zinc/42/71/03/1072427103.db2.gz VYUWIAJKHZNQLQ-BHDDXSALSA-N 2 0 440.592 -0.260 20 0 IBADRP O=C(N[C@@H](CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000569421138 1072427280 /nfs/dbraw/zinc/42/72/80/1072427280.db2.gz VYUWIAJKHZNQLQ-FDFHNCONSA-N 2 0 440.592 -0.260 20 0 IBADRP O=C(NC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000569421139 1072427360 /nfs/dbraw/zinc/42/73/60/1072427360.db2.gz VYUWIAJKHZNQLQ-FKBYEOEOSA-N 2 0 440.592 -0.260 20 0 IBADRP O[C@@H](CN1CCOCC1)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000569745321 1072432827 /nfs/dbraw/zinc/43/28/27/1072432827.db2.gz PRDAWGLXLJFCCW-OJSMNCEXSA-N 2 0 440.629 -0.449 20 0 IBADRP O[C@H](CN1CCOCC1)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC000569745322 1072433064 /nfs/dbraw/zinc/43/30/64/1072433064.db2.gz PRDAWGLXLJFCCW-WELAQSEPSA-N 2 0 440.629 -0.449 20 0 IBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000569750184 1071268969 /nfs/dbraw/zinc/26/89/69/1071268969.db2.gz NQSRTXMUIQPEAW-NRFANRHFSA-N 2 0 430.597 -0.198 20 0 IBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000569750185 1072432773 /nfs/dbraw/zinc/43/27/73/1072432773.db2.gz NQSRTXMUIQPEAW-OAQYLSRUSA-N 2 0 430.597 -0.198 20 0 IBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000570467830 1072445194 /nfs/dbraw/zinc/44/51/94/1072445194.db2.gz IMZDZDFVUCWYCC-NRFANRHFSA-N 2 0 430.597 -0.198 20 0 IBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000570467831 1072445230 /nfs/dbraw/zinc/44/52/30/1072445230.db2.gz IMZDZDFVUCWYCC-OAQYLSRUSA-N 2 0 430.597 -0.198 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000570480730 1072445208 /nfs/dbraw/zinc/44/52/08/1072445208.db2.gz WXSBYGCSKJMTTB-UHFFFAOYSA-N 2 0 446.552 -0.595 20 0 IBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000570870582 1072453175 /nfs/dbraw/zinc/45/31/75/1072453175.db2.gz KQWSRSRTUYQAKX-IBGZPJMESA-N 2 0 432.569 -0.077 20 0 IBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000570870652 1072453239 /nfs/dbraw/zinc/45/32/39/1072453239.db2.gz KQWSRSRTUYQAKX-LJQANCHMSA-N 2 0 432.569 -0.077 20 0 IBADRP CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000571189352 1072457388 /nfs/dbraw/zinc/45/73/88/1072457388.db2.gz XXAFNRWFISWNJD-UHFFFAOYSA-N 2 0 432.569 -0.375 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000571233256 1073680252 /nfs/dbraw/zinc/68/02/52/1073680252.db2.gz BVSJCVKIKVRNFD-UHFFFAOYSA-N 2 0 437.585 -0.384 20 0 IBADRP Cn1cc(N2CCN(C(=O)C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)cn1 ZINC000571470165 1072461162 /nfs/dbraw/zinc/46/11/62/1072461162.db2.gz NJHZCUUMQPZLQU-UHFFFAOYSA-N 2 0 440.552 -0.208 20 0 IBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000572008844 1072179999 /nfs/dbraw/zinc/17/99/99/1072179999.db2.gz LBRGNUGHQUYLOL-KRWDZBQOSA-N 2 0 425.574 -0.338 20 0 IBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000572008845 1072180094 /nfs/dbraw/zinc/18/00/94/1072180094.db2.gz LBRGNUGHQUYLOL-QGZVFWFLSA-N 2 0 425.574 -0.338 20 0 IBADRP NC(=O)c1ccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000572431157 1072472299 /nfs/dbraw/zinc/47/22/99/1072472299.db2.gz BJNXVLOTAIHAJF-UHFFFAOYSA-N 2 0 425.493 -0.480 20 0 IBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000572991459 1072479567 /nfs/dbraw/zinc/47/95/67/1072479567.db2.gz FAALTVHRZNNEJK-UHFFFAOYSA-N 2 0 435.573 -0.628 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000574601047 1072500496 /nfs/dbraw/zinc/50/04/96/1072500496.db2.gz XCBTXIKXIPJZLG-GUDVDZBRSA-N 2 0 435.569 -0.755 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000574601048 1072500510 /nfs/dbraw/zinc/50/05/10/1072500510.db2.gz XCBTXIKXIPJZLG-IPMKNSEASA-N 2 0 435.569 -0.755 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574601049 1072500473 /nfs/dbraw/zinc/50/04/73/1072500473.db2.gz XCBTXIKXIPJZLG-OTWHNJEPSA-N 2 0 435.569 -0.755 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574601050 1072500354 /nfs/dbraw/zinc/50/03/54/1072500354.db2.gz XCBTXIKXIPJZLG-QRVBRYPASA-N 2 0 435.569 -0.755 20 0 IBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000574708111 1072501835 /nfs/dbraw/zinc/50/18/35/1072501835.db2.gz VCJMJZSEEAMWFZ-IBGZPJMESA-N 2 0 432.569 -0.077 20 0 IBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000574708113 1072502020 /nfs/dbraw/zinc/50/20/20/1072502020.db2.gz VCJMJZSEEAMWFZ-LJQANCHMSA-N 2 0 432.569 -0.077 20 0 IBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000574711714 1072263873 /nfs/dbraw/zinc/26/38/73/1072263873.db2.gz HCDRSWVRDVUEFX-IBGZPJMESA-N 2 0 437.585 -0.384 20 0 IBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000574711715 1072264055 /nfs/dbraw/zinc/26/40/55/1072264055.db2.gz HCDRSWVRDVUEFX-LJQANCHMSA-N 2 0 437.585 -0.384 20 0 IBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000574827895 1072265936 /nfs/dbraw/zinc/26/59/36/1072265936.db2.gz CVAZXAZFTLSVMC-IBGZPJMESA-N 2 0 436.601 -0.857 20 0 IBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000574827896 1072265825 /nfs/dbraw/zinc/26/58/25/1072265825.db2.gz CVAZXAZFTLSVMC-LJQANCHMSA-N 2 0 436.601 -0.857 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574840847 1072503729 /nfs/dbraw/zinc/50/37/29/1072503729.db2.gz WMLGHOMVHAAPHB-MOPGFXCFSA-N 2 0 437.585 -0.507 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000574840850 1072503620 /nfs/dbraw/zinc/50/36/20/1072503620.db2.gz WMLGHOMVHAAPHB-OALUTQOASA-N 2 0 437.585 -0.507 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000574840851 1072503520 /nfs/dbraw/zinc/50/35/20/1072503520.db2.gz WMLGHOMVHAAPHB-RBUKOAKNSA-N 2 0 437.585 -0.507 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000574840853 1072503609 /nfs/dbraw/zinc/50/36/09/1072503609.db2.gz WMLGHOMVHAAPHB-RTBURBONSA-N 2 0 437.585 -0.507 20 0 IBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000575357236 1072508206 /nfs/dbraw/zinc/50/82/06/1072508206.db2.gz WQNLXRWKMHMARN-UHFFFAOYSA-N 3 0 445.612 -0.148 20 0 IBADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000575587482 1072509336 /nfs/dbraw/zinc/50/93/36/1072509336.db2.gz MXJYRRTYUZKGHO-CHOVIJNXSA-N 2 0 448.608 -0.061 20 0 IBADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000575587516 1072509070 /nfs/dbraw/zinc/50/90/70/1072509070.db2.gz MXJYRRTYUZKGHO-DVJXIFHOSA-N 2 0 448.608 -0.061 20 0 IBADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000575587523 1072509089 /nfs/dbraw/zinc/50/90/89/1072509089.db2.gz MXJYRRTYUZKGHO-FAYOUJPWSA-N 2 0 448.608 -0.061 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000576020093 1072514526 /nfs/dbraw/zinc/51/45/26/1072514526.db2.gz SMBYIYARYWRTKX-PMACEKPBSA-N 2 0 449.596 -0.363 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000576020096 1072514666 /nfs/dbraw/zinc/51/46/66/1072514666.db2.gz SMBYIYARYWRTKX-UXHICEINSA-N 2 0 449.596 -0.363 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000576020097 1072514550 /nfs/dbraw/zinc/51/45/50/1072514550.db2.gz SMBYIYARYWRTKX-VQTJNVASSA-N 2 0 449.596 -0.363 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000576020099 1072514630 /nfs/dbraw/zinc/51/46/30/1072514630.db2.gz SMBYIYARYWRTKX-WOJBJXKFSA-N 2 0 449.596 -0.363 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000576525221 1072523140 /nfs/dbraw/zinc/52/31/40/1072523140.db2.gz FASJHNPKYIKOJZ-UHFFFAOYSA-N 2 0 440.570 -0.244 20 0 IBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cn2)CC1 ZINC000577139929 1072534582 /nfs/dbraw/zinc/53/45/82/1072534582.db2.gz LOTMCXJNNDSNKH-PMACEKPBSA-N 2 0 444.580 -0.056 20 0 IBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cn2)CC1 ZINC000577139930 1072534810 /nfs/dbraw/zinc/53/48/10/1072534810.db2.gz LOTMCXJNNDSNKH-UXHICEINSA-N 2 0 444.580 -0.056 20 0 IBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cn2)CC1 ZINC000577139931 1072534720 /nfs/dbraw/zinc/53/47/20/1072534720.db2.gz LOTMCXJNNDSNKH-VQTJNVASSA-N 2 0 444.580 -0.056 20 0 IBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cn2)CC1 ZINC000577139932 1072534884 /nfs/dbraw/zinc/53/48/84/1072534884.db2.gz LOTMCXJNNDSNKH-WOJBJXKFSA-N 2 0 444.580 -0.056 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000577728833 1072548727 /nfs/dbraw/zinc/54/87/27/1072548727.db2.gz SOUKIUKYPGAQPC-FQEVSTJZSA-N 2 0 442.564 -0.073 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000577728835 1072548451 /nfs/dbraw/zinc/54/84/51/1072548451.db2.gz SOUKIUKYPGAQPC-HXUWFJFHSA-N 2 0 442.564 -0.073 20 0 IBADRP O=C(CN1CC[NH+](CC2CC2)CC1)N1CCN(C(=O)CN2CC[NH+](CC3CC3)CC2)CC1 ZINC000577839832 1072551692 /nfs/dbraw/zinc/55/16/92/1072551692.db2.gz GGYMBGQFVITSHA-UHFFFAOYSA-N 2 0 446.640 -0.288 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000578000922 1072555060 /nfs/dbraw/zinc/55/50/60/1072555060.db2.gz QYRWGFHGIAXTOW-UHFFFAOYSA-N 2 0 438.536 -0.151 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000578031362 1072554913 /nfs/dbraw/zinc/55/49/13/1072554913.db2.gz QJJJYFWWGIYITK-IBGZPJMESA-N 2 0 438.617 -0.613 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000578031363 1072555139 /nfs/dbraw/zinc/55/51/39/1072555139.db2.gz QJJJYFWWGIYITK-LJQANCHMSA-N 2 0 438.617 -0.613 20 0 IBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000578344367 1072561927 /nfs/dbraw/zinc/56/19/27/1072561927.db2.gz SJOOLGCBOCASSO-UHFFFAOYSA-N 2 0 432.569 -0.245 20 0 IBADRP C[C@H]([C@H](C)N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000578920953 1072573334 /nfs/dbraw/zinc/57/33/34/1072573334.db2.gz DCKUITCVTCNNBP-DLBZAZTESA-N 2 0 439.582 -0.010 20 0 IBADRP C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000578920960 1072573378 /nfs/dbraw/zinc/57/33/78/1072573378.db2.gz DCKUITCVTCNNBP-IAGOWNOFSA-N 2 0 439.582 -0.010 20 0 IBADRP 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C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2oc1=O ZINC000606120564 1072363580 /nfs/dbraw/zinc/36/35/80/1072363580.db2.gz AIHHMYZXJWXVOF-OAHLLOKOSA-N 2 0 446.508 -0.449 20 0 IBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000606121248 1072364157 /nfs/dbraw/zinc/36/41/57/1072364157.db2.gz KPMWZHOIQSHHBM-IBGZPJMESA-N 2 0 430.553 -0.172 20 0 IBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000606121250 1072364064 /nfs/dbraw/zinc/36/40/64/1072364064.db2.gz KPMWZHOIQSHHBM-LJQANCHMSA-N 2 0 430.553 -0.172 20 0 IBADRP C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000607190380 1072380502 /nfs/dbraw/zinc/38/05/02/1072380502.db2.gz JWYUUNXUCCYTQM-KDURUIRLSA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000607190381 1072380547 /nfs/dbraw/zinc/38/05/47/1072380547.db2.gz JWYUUNXUCCYTQM-OALUTQOASA-N 2 0 445.612 -0.187 20 0 IBADRP C[C@H](CNC(=O)c1cccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000607190382 1072380353 /nfs/dbraw/zinc/38/03/53/1072380353.db2.gz JWYUUNXUCCYTQM-RTBURBONSA-N 2 0 445.612 -0.187 20 0 IBADRP Cn1cc(S(=O)(=O)N2CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2)cn1 ZINC000607422900 1072386263 /nfs/dbraw/zinc/38/62/63/1072386263.db2.gz OZUZGUPSVIBNFA-UHFFFAOYSA-N 2 0 429.591 -0.292 20 0 IBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608661173 1072400967 /nfs/dbraw/zinc/40/09/67/1072400967.db2.gz MKQNZPLZVRRBLH-GOSISDBHSA-N 2 0 432.635 -0.379 20 0 IBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000608661174 1072401609 /nfs/dbraw/zinc/40/16/09/1072401609.db2.gz MKQNZPLZVRRBLH-SFHVURJKSA-N 2 0 432.635 -0.379 20 0 IBADRP Cn1c(=O)c2cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnc2n(C)c1=O ZINC000616732085 1073003299 /nfs/dbraw/zinc/00/32/99/1073003299.db2.gz WQRLVLUOHUAAAZ-UHFFFAOYSA-N 2 0 447.540 -0.697 20 0 IBADRP O=C(NC1CC1)C(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623130880 1073050251 /nfs/dbraw/zinc/05/02/51/1073050251.db2.gz IRHMWGVHVGOXTK-UHFFFAOYSA-N 2 0 443.552 -0.274 20 0 IBADRP CN(C)S(=O)(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623131214 1073050043 /nfs/dbraw/zinc/05/00/43/1073050043.db2.gz OECOMRJNMAGCJF-UHFFFAOYSA-N 2 0 439.586 -0.273 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000623134321 1073050278 /nfs/dbraw/zinc/05/02/78/1073050278.db2.gz MWGFXKCZOFRFHN-FQEVSTJZSA-N 2 0 444.580 -0.109 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000623134322 1073050336 /nfs/dbraw/zinc/05/03/36/1073050336.db2.gz MWGFXKCZOFRFHN-HXUWFJFHSA-N 2 0 444.580 -0.109 20 0 IBADRP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000647822825 1072649029 /nfs/dbraw/zinc/64/90/29/1072649029.db2.gz ZDRLPQJJXMRNLH-JVSBHGNQSA-N 2 0 438.569 -0.354 20 0 IBADRP 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446.640 -0.195 20 0 IBADRP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000670409048 1073227584 /nfs/dbraw/zinc/22/75/84/1073227584.db2.gz DDBPTKQCFVEUJY-GXRSIYKFSA-N 2 0 446.640 -0.195 20 0 IBADRP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000670409049 1073227399 /nfs/dbraw/zinc/22/73/99/1073227399.db2.gz DDBPTKQCFVEUJY-YSFYHYPLSA-N 2 0 446.640 -0.195 20 0 IBADRP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)s1 ZINC000670447442 1073253884 /nfs/dbraw/zinc/25/38/84/1073253884.db2.gz WJUGYGHYNZAUEJ-HDICACEKSA-N 2 0 446.621 -0.013 20 0 IBADRP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)s1 ZINC000670447443 1073254016 /nfs/dbraw/zinc/25/40/16/1073254016.db2.gz WJUGYGHYNZAUEJ-QZTJIDSGSA-N 2 0 446.621 -0.013 20 0 IBADRP O=C(NC[C@H]1C[NH+]2CCN1CCC2)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)s1 ZINC000670447444 1073253925 /nfs/dbraw/zinc/25/39/25/1073253925.db2.gz 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1073151075 /nfs/dbraw/zinc/15/10/75/1073151075.db2.gz FDSPSPFVKNMCHN-PKOBYXMFSA-N 2 0 436.601 -0.670 20 0 IBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672111552 1073150354 /nfs/dbraw/zinc/15/03/54/1073150354.db2.gz ZUVHFOBHYHUHGT-MOPGFXCFSA-N 2 0 436.601 -0.716 20 0 IBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672111553 1073150322 /nfs/dbraw/zinc/15/03/22/1073150322.db2.gz ZUVHFOBHYHUHGT-OALUTQOASA-N 2 0 436.601 -0.716 20 0 IBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672111554 1073150396 /nfs/dbraw/zinc/15/03/96/1073150396.db2.gz ZUVHFOBHYHUHGT-RBUKOAKNSA-N 2 0 436.601 -0.716 20 0 IBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672111555 1073150477 /nfs/dbraw/zinc/15/04/77/1073150477.db2.gz ZUVHFOBHYHUHGT-RTBURBONSA-N 2 0 436.601 -0.716 20 0 IBADRP CN(c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1)S(C)(=O)=O ZINC000672511075 1073173508 /nfs/dbraw/zinc/17/35/08/1073173508.db2.gz PYKHJWCCAXXOJG-UHFFFAOYSA-N 2 0 427.571 -0.350 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672513193 1073174130 /nfs/dbraw/zinc/17/41/30/1073174130.db2.gz UJWSDBCGBRRWDH-IBGZPJMESA-N 2 0 436.601 -0.716 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672513194 1073174156 /nfs/dbraw/zinc/17/41/56/1073174156.db2.gz UJWSDBCGBRRWDH-LJQANCHMSA-N 2 0 436.601 -0.716 20 0 IBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000672637281 1073177732 /nfs/dbraw/zinc/17/77/32/1073177732.db2.gz CVZZRMIQPBCYLS-FQEVSTJZSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000672637282 1073178244 /nfs/dbraw/zinc/17/82/44/1073178244.db2.gz CVZZRMIQPBCYLS-HXUWFJFHSA-N 2 0 434.629 -0.243 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638090 1073179077 /nfs/dbraw/zinc/17/90/77/1073179077.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 2 0 434.585 -0.964 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638091 1073179201 /nfs/dbraw/zinc/17/92/01/1073179201.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 2 0 434.585 -0.964 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638092 1073179019 /nfs/dbraw/zinc/17/90/19/1073179019.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 2 0 434.585 -0.964 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638093 1073179164 /nfs/dbraw/zinc/17/91/64/1073179164.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 2 0 434.585 -0.964 20 0 IBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641140 1073180706 /nfs/dbraw/zinc/18/07/06/1073180706.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 2 0 434.629 -0.100 20 0 IBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641142 1073180853 /nfs/dbraw/zinc/18/08/53/1073180853.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 2 0 434.629 -0.100 20 0 IBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641143 1073180817 /nfs/dbraw/zinc/18/08/17/1073180817.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 2 0 434.629 -0.100 20 0 IBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641145 1073180908 /nfs/dbraw/zinc/18/09/08/1073180908.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 2 0 434.629 -0.100 20 0 IBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641820 1073180506 /nfs/dbraw/zinc/18/05/06/1073180506.db2.gz XOKCLELUQSEPDG-GOSISDBHSA-N 2 0 434.585 -0.962 20 0 IBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641826 1073180531 /nfs/dbraw/zinc/18/05/31/1073180531.db2.gz XOKCLELUQSEPDG-SFHVURJKSA-N 2 0 434.585 -0.962 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642311 1073180438 /nfs/dbraw/zinc/18/04/38/1073180438.db2.gz GASOSFKSZAICLR-GOSISDBHSA-N 2 0 436.601 -0.716 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642312 1073180483 /nfs/dbraw/zinc/18/04/83/1073180483.db2.gz GASOSFKSZAICLR-SFHVURJKSA-N 2 0 436.601 -0.716 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000672642590 1073181251 /nfs/dbraw/zinc/18/12/51/1073181251.db2.gz OIQUNKZNPHFIEB-GOSISDBHSA-N 2 0 432.569 -0.077 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000672642591 1073181337 /nfs/dbraw/zinc/18/13/37/1073181337.db2.gz OIQUNKZNPHFIEB-SFHVURJKSA-N 2 0 432.569 -0.077 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000672966789 1073191380 /nfs/dbraw/zinc/19/13/80/1073191380.db2.gz ZXIJAZZZOYXUJV-MSOLQXFVSA-N 2 0 445.564 -0.026 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000672966790 1073191423 /nfs/dbraw/zinc/19/14/23/1073191423.db2.gz ZXIJAZZZOYXUJV-QZTJIDSGSA-N 2 0 445.564 -0.026 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000672966791 1073191449 /nfs/dbraw/zinc/19/14/49/1073191449.db2.gz ZXIJAZZZOYXUJV-ROUUACIJSA-N 2 0 445.564 -0.026 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000672966792 1073191480 /nfs/dbraw/zinc/19/14/80/1073191480.db2.gz ZXIJAZZZOYXUJV-ZWKOTPCHSA-N 2 0 445.564 -0.026 20 0 IBADRP CC[NH+]1CCN(CCNC(=O)c2cncc(C(=O)NCCN3CC[NH+](CC)CC3)c2)CC1 ZINC000673141705 1073197450 /nfs/dbraw/zinc/19/74/50/1073197450.db2.gz YMOQXYHDHHXGQP-UHFFFAOYSA-N 2 0 445.612 -0.184 20 0 IBADRP CC[NH+]1CCN(CCNC(=O)c2cccc(C(=O)NCCN3CC[NH+](CC)CC3)n2)CC1 ZINC000673141718 1073197400 /nfs/dbraw/zinc/19/74/00/1073197400.db2.gz ZSHVTDVAQCJDMS-UHFFFAOYSA-N 2 0 445.612 -0.184 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccn1 ZINC000673582537 1073228919 /nfs/dbraw/zinc/22/89/19/1073228919.db2.gz AUPQRZNQAOHCFE-IBGZPJMESA-N 2 0 432.569 -0.123 20 0 IBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccn1 ZINC000673582538 1073228781 /nfs/dbraw/zinc/22/87/81/1073228781.db2.gz AUPQRZNQAOHCFE-LJQANCHMSA-N 2 0 432.569 -0.123 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673585173 1073228756 /nfs/dbraw/zinc/22/87/56/1073228756.db2.gz DLMZVZNWVWBGLB-MOPGFXCFSA-N 2 0 435.569 -0.753 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673585174 1073228868 /nfs/dbraw/zinc/22/88/68/1073228868.db2.gz DLMZVZNWVWBGLB-OALUTQOASA-N 2 0 435.569 -0.753 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673585175 1073228806 /nfs/dbraw/zinc/22/88/06/1073228806.db2.gz DLMZVZNWVWBGLB-RBUKOAKNSA-N 2 0 435.569 -0.753 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673585176 1073228747 /nfs/dbraw/zinc/22/87/47/1073228747.db2.gz DLMZVZNWVWBGLB-RTBURBONSA-N 2 0 435.569 -0.753 20 0 IBADRP CC[NH+]1CCN(CCNC(=O)c2ccnc(C(=O)NCCN3CC[NH+](CC)CC3)c2)CC1 ZINC000673669355 1073241248 /nfs/dbraw/zinc/24/12/48/1073241248.db2.gz JKIQJMDRGPEMAO-UHFFFAOYSA-N 2 0 445.612 -0.184 20 0 IBADRP COc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000674246457 1073262375 /nfs/dbraw/zinc/26/23/75/1073262375.db2.gz FFMYDKHFESITKH-MKXGPGLRSA-N 2 0 447.584 -0.049 20 0 IBADRP COc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000674246460 1073262480 /nfs/dbraw/zinc/26/24/80/1073262480.db2.gz FFMYDKHFESITKH-RDGPPVDQSA-N 2 0 447.584 -0.049 20 0 IBADRP COc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000674246461 1073262584 /nfs/dbraw/zinc/26/25/84/1073262584.db2.gz FFMYDKHFESITKH-SEXKYXSUSA-N 2 0 447.584 -0.049 20 0 IBADRP COc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000674246462 1073262412 /nfs/dbraw/zinc/26/24/12/1073262412.db2.gz FFMYDKHFESITKH-YRXWBPOGSA-N 2 0 447.584 -0.049 20 0 IBADRP CNc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000675149925 1073275930 /nfs/dbraw/zinc/27/59/30/1073275930.db2.gz FKXOMIWNFOYFCA-MKXGPGLRSA-N 2 0 446.600 -0.594 20 0 IBADRP CNc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000675149929 1073275903 /nfs/dbraw/zinc/27/59/03/1073275903.db2.gz FKXOMIWNFOYFCA-RDGPPVDQSA-N 2 0 446.600 -0.594 20 0 IBADRP CNc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000675149931 1073276014 /nfs/dbraw/zinc/27/60/14/1073276014.db2.gz FKXOMIWNFOYFCA-SEXKYXSUSA-N 2 0 446.600 -0.594 20 0 IBADRP CNc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000675149933 1073275806 /nfs/dbraw/zinc/27/58/06/1073275806.db2.gz FKXOMIWNFOYFCA-YRXWBPOGSA-N 2 0 446.600 -0.594 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000676091714 1073290134 /nfs/dbraw/zinc/29/01/34/1073290134.db2.gz HTAUQIVJWPKAPN-UHFFFAOYSA-N 2 0 428.497 -0.757 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000676091764 1073290068 /nfs/dbraw/zinc/29/00/68/1073290068.db2.gz LBRWIPJNGIXVOY-GOSISDBHSA-N 2 0 449.556 -0.787 20 0 IBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000676091765 1073289994 /nfs/dbraw/zinc/28/99/94/1073289994.db2.gz LBRWIPJNGIXVOY-SFHVURJKSA-N 2 0 449.556 -0.787 20 0 IBADRP CN(C)C(=O)CC[NH+]1CCN(c2nccnc2N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000680956504 1072781757 /nfs/dbraw/zinc/78/17/57/1072781757.db2.gz FDCUMDZKEJQFDC-UHFFFAOYSA-N 2 0 446.600 -0.323 20 0 IBADRP CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000682222269 1072796859 /nfs/dbraw/zinc/79/68/59/1072796859.db2.gz MTHTVUPUGYEFPN-UHFFFAOYSA-N 2 0 432.569 -0.036 20 0 IBADRP CC(C)(CO)[NH+]1CCN(c2cc(N3CC[NH+](C(C)(C)CO)CC3)n3ncnc3n2)CC1 ZINC000684577485 1071034240 /nfs/dbraw/zinc/03/42/40/1071034240.db2.gz XVHDKFKJULVSBD-UHFFFAOYSA-N 2 0 432.573 -0.090 20 0 IBADRP CC1(C)CN(c2cc(N3CC[N@H+](CCO)C(C)(C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000684588526 1071039795 /nfs/dbraw/zinc/03/97/95/1071039795.db2.gz GIZBWKGWFOIZPG-UHFFFAOYSA-N 2 0 432.573 -0.090 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000685057677 1071138022 /nfs/dbraw/zinc/13/80/22/1071138022.db2.gz PSAKBWVPKJDQOB-UHFFFAOYSA-N 2 0 439.582 -0.206 20 0 IBADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000685113262 1071157975 /nfs/dbraw/zinc/15/79/75/1071157975.db2.gz FZKFSKIPNGAIBQ-DOTOQJQBSA-N 2 0 425.574 -0.435 20 0 IBADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CN(C)CCO1 ZINC000685113271 1071158092 /nfs/dbraw/zinc/15/80/92/1071158092.db2.gz FZKFSKIPNGAIBQ-NVXWUHKLSA-N 2 0 425.574 -0.435 20 0 IBADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000685113273 1071157914 /nfs/dbraw/zinc/15/79/14/1071157914.db2.gz FZKFSKIPNGAIBQ-RDJZCZTQSA-N 2 0 425.574 -0.435 20 0 IBADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000685113275 1071158272 /nfs/dbraw/zinc/15/82/72/1071158272.db2.gz FZKFSKIPNGAIBQ-WBVHZDCISA-N 2 0 425.574 -0.435 20 0 IBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000685339843 1071233920 /nfs/dbraw/zinc/23/39/20/1071233920.db2.gz ADICHPGIARPNDP-HKUYNNGSSA-N 2 0 439.601 -0.092 20 0 IBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000685339844 1071233706 /nfs/dbraw/zinc/23/37/06/1071233706.db2.gz ADICHPGIARPNDP-IEBWSBKVSA-N 2 0 439.601 -0.092 20 0 IBADRP Cn1nc(Br)c2c1ncn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2=O ZINC000728611443 1071268850 /nfs/dbraw/zinc/26/88/50/1071268850.db2.gz GBLFUAFUOMWLJZ-UHFFFAOYSA-N 2 0 428.335 -0.156 20 0 IBADRP O=C(CSCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729842763 1073014490 /nfs/dbraw/zinc/01/44/90/1073014490.db2.gz MMTPCQYPQVFECX-BRSBDYLESA-N 2 0 426.583 -0.322 20 0 IBADRP O=C(CSCC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729842764 1073014364 /nfs/dbraw/zinc/01/43/64/1073014364.db2.gz MMTPCQYPQVFECX-TVFCKZIOSA-N 2 0 426.583 -0.322 20 0 IBADRP O=C(CSCC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729842765 1073014529 /nfs/dbraw/zinc/01/45/29/1073014529.db2.gz MMTPCQYPQVFECX-USTZCAOPSA-N 2 0 426.583 -0.322 20 0 IBADRP O=C(CSCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729842766 1073014272 /nfs/dbraw/zinc/01/42/72/1073014272.db2.gz MMTPCQYPQVFECX-XMTFNYHQSA-N 2 0 426.583 -0.322 20 0 IBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000747225992 1073864373 /nfs/dbraw/zinc/86/43/73/1073864373.db2.gz DLPISBKMQLXGRF-INIZCTEOSA-N 2 0 429.587 -0.116 20 0 IBADRP C[NH+]1CCC(O)(CNC(=O)C(F)(F)C(F)(F)C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000747411351 1073923935 /nfs/dbraw/zinc/92/39/35/1073923935.db2.gz DTAXGNINSCPNKM-UHFFFAOYSA-N 2 0 442.454 -0.597 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000748343661 1072713992 /nfs/dbraw/zinc/71/39/92/1072713992.db2.gz LSCFDKMHLNHHAS-UHFFFAOYSA-N 2 0 440.570 -0.445 20 0 IBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774955087 1074281367 /nfs/dbraw/zinc/28/13/67/1074281367.db2.gz HJWLUWKGHTVFDN-LEWJYISDSA-N 2 0 429.565 -0.100 20 0 IBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774955089 1074281117 /nfs/dbraw/zinc/28/11/17/1074281117.db2.gz HJWLUWKGHTVFDN-NHCUHLMSSA-N 2 0 429.565 -0.100 20 0 IBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774955090 1074281223 /nfs/dbraw/zinc/28/12/23/1074281223.db2.gz HJWLUWKGHTVFDN-RTWAWAEBSA-N 2 0 429.565 -0.100 20 0 IBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774955091 1074281331 /nfs/dbraw/zinc/28/13/31/1074281331.db2.gz HJWLUWKGHTVFDN-SFTDATJTSA-N 2 0 429.565 -0.100 20 0 IBADRP CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000784393567 1072620404 /nfs/dbraw/zinc/62/04/04/1072620404.db2.gz MIDTYCLUKXQHGZ-UHFFFAOYSA-N 2 0 429.543 -0.241 20 0 IBADRP CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000784394248 1072995038 /nfs/dbraw/zinc/99/50/38/1072995038.db2.gz RWJRKFWEWSADPU-UHFFFAOYSA-N 2 0 439.582 -0.222 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787112305 1073737674 /nfs/dbraw/zinc/73/76/74/1073737674.db2.gz DAXXWQMBMYXHEY-IBGZPJMESA-N 2 0 437.585 -0.241 20 0 IBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787112306 1073737807 /nfs/dbraw/zinc/73/78/07/1073737807.db2.gz DAXXWQMBMYXHEY-LJQANCHMSA-N 2 0 437.585 -0.241 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787125169 1073738835 /nfs/dbraw/zinc/73/88/35/1073738835.db2.gz OJOKPZLKTYEKHO-IBGZPJMESA-N 2 0 435.569 -0.487 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787125171 1073738857 /nfs/dbraw/zinc/73/88/57/1073738857.db2.gz OJOKPZLKTYEKHO-LJQANCHMSA-N 2 0 435.569 -0.487 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787135633 1073738337 /nfs/dbraw/zinc/73/83/37/1073738337.db2.gz CHSZNZANJABYJF-MOPGFXCFSA-N 2 0 435.569 -0.489 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787135634 1073738422 /nfs/dbraw/zinc/73/84/22/1073738422.db2.gz CHSZNZANJABYJF-OALUTQOASA-N 2 0 435.569 -0.489 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000787135635 1073738913 /nfs/dbraw/zinc/73/89/13/1073738913.db2.gz CHSZNZANJABYJF-RBUKOAKNSA-N 2 0 435.569 -0.489 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000787135636 1073738748 /nfs/dbraw/zinc/73/87/48/1073738748.db2.gz CHSZNZANJABYJF-RTBURBONSA-N 2 0 435.569 -0.489 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000787503463 1073746403 /nfs/dbraw/zinc/74/64/03/1073746403.db2.gz XJYVFGWTKLOCIW-MOPGFXCFSA-N 2 0 430.553 -0.181 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000787503464 1073746275 /nfs/dbraw/zinc/74/62/75/1073746275.db2.gz XJYVFGWTKLOCIW-OALUTQOASA-N 2 0 430.553 -0.181 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000787503465 1073746510 /nfs/dbraw/zinc/74/65/10/1073746510.db2.gz XJYVFGWTKLOCIW-RBUKOAKNSA-N 2 0 430.553 -0.181 20 0 IBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000787503466 1073746366 /nfs/dbraw/zinc/74/63/66/1073746366.db2.gz XJYVFGWTKLOCIW-RTBURBONSA-N 2 0 430.553 -0.181 20 0 IBADRP OCCCC[NH+]1CCN(c2cc(N3CC[NH+](CCCCO)CC3)n3ncnc3n2)CC1 ZINC000795099074 1074461902 /nfs/dbraw/zinc/46/19/02/1074461902.db2.gz DAFXGKXFFNWWJY-UHFFFAOYSA-N 2 0 432.573 -0.087 20 0 IBADRP C[NH+]1CC[C@@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000803107876 1072694583 /nfs/dbraw/zinc/69/45/83/1072694583.db2.gz FCMVTNBBDWSFJH-DNQXCXABSA-N 2 0 446.592 -0.083 20 0 IBADRP C[NH+]1CC[C@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000803107877 1072694479 /nfs/dbraw/zinc/69/44/79/1072694479.db2.gz FCMVTNBBDWSFJH-PSWAGMNNSA-N 2 0 446.592 -0.083 20 0 IBADRP C[NH+]1CC[C@](O)(CNC(=O)CCc2cccc(CCC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000803107878 1072694439 /nfs/dbraw/zinc/69/44/39/1072694439.db2.gz FCMVTNBBDWSFJH-ZEQRLZLVSA-N 2 0 446.592 -0.083 20 0 IBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000803660101 1072703530 /nfs/dbraw/zinc/70/35/30/1072703530.db2.gz SVXWMHWJJNJNBU-MOPGFXCFSA-N 2 0 431.537 -0.426 20 0 IBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000803660102 1072703554 /nfs/dbraw/zinc/70/35/54/1072703554.db2.gz SVXWMHWJJNJNBU-OALUTQOASA-N 2 0 431.537 -0.426 20 0 IBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000803660103 1072703444 /nfs/dbraw/zinc/70/34/44/1072703444.db2.gz SVXWMHWJJNJNBU-RBUKOAKNSA-N 2 0 431.537 -0.426 20 0 IBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000803660104 1072703422 /nfs/dbraw/zinc/70/34/22/1072703422.db2.gz SVXWMHWJJNJNBU-RTBURBONSA-N 2 0 431.537 -0.426 20 0 IBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804052541 1072815637 /nfs/dbraw/zinc/81/56/37/1072815637.db2.gz FPRZQIQOZQCOGP-MOPGFXCFSA-N 2 0 445.568 -0.526 20 0 IBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804052548 1072815296 /nfs/dbraw/zinc/81/52/96/1072815296.db2.gz FPRZQIQOZQCOGP-OALUTQOASA-N 2 0 445.568 -0.526 20 0 IBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804052550 1072815725 /nfs/dbraw/zinc/81/57/25/1072815725.db2.gz FPRZQIQOZQCOGP-RBUKOAKNSA-N 2 0 445.568 -0.526 20 0 IBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804052553 1072815252 /nfs/dbraw/zinc/81/52/52/1072815252.db2.gz FPRZQIQOZQCOGP-RTBURBONSA-N 2 0 445.568 -0.526 20 0 IBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056125 1072817829 /nfs/dbraw/zinc/81/78/29/1072817829.db2.gz JTCOGTFUJJKHKE-PMACEKPBSA-N 2 0 449.596 -0.194 20 0 IBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056126 1072818162 /nfs/dbraw/zinc/81/81/62/1072818162.db2.gz JTCOGTFUJJKHKE-UXHICEINSA-N 2 0 449.596 -0.194 20 0 IBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056127 1072817855 /nfs/dbraw/zinc/81/78/55/1072817855.db2.gz JTCOGTFUJJKHKE-VQTJNVASSA-N 2 0 449.596 -0.194 20 0 IBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000804056128 1072818044 /nfs/dbraw/zinc/81/80/44/1072818044.db2.gz JTCOGTFUJJKHKE-WOJBJXKFSA-N 2 0 449.596 -0.194 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056777 1072817210 /nfs/dbraw/zinc/81/72/10/1072817210.db2.gz FKRDYHDEXPQOMM-PMACEKPBSA-N 3 0 430.553 -0.311 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056778 1072817150 /nfs/dbraw/zinc/81/71/50/1072817150.db2.gz FKRDYHDEXPQOMM-UXHICEINSA-N 3 0 430.553 -0.311 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056779 1072817193 /nfs/dbraw/zinc/81/71/93/1072817193.db2.gz FKRDYHDEXPQOMM-VQTJNVASSA-N 3 0 430.553 -0.311 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056780 1072817142 /nfs/dbraw/zinc/81/71/42/1072817142.db2.gz FKRDYHDEXPQOMM-WOJBJXKFSA-N 3 0 430.553 -0.311 20 0 IBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059660 1072818801 /nfs/dbraw/zinc/81/88/01/1072818801.db2.gz NAJMUSCRJYLRGN-MSOLQXFVSA-N 2 0 437.585 -0.291 20 0 IBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059661 1072818765 /nfs/dbraw/zinc/81/87/65/1072818765.db2.gz NAJMUSCRJYLRGN-QZTJIDSGSA-N 2 0 437.585 -0.291 20 0 IBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804059662 1072818871 /nfs/dbraw/zinc/81/88/71/1072818871.db2.gz NAJMUSCRJYLRGN-ROUUACIJSA-N 2 0 437.585 -0.291 20 0 IBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804059663 1072818887 /nfs/dbraw/zinc/81/88/87/1072818887.db2.gz NAJMUSCRJYLRGN-ZWKOTPCHSA-N 2 0 437.585 -0.291 20 0 IBADRP CCN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804082705 1073288721 /nfs/dbraw/zinc/28/87/21/1073288721.db2.gz CRFXBKZJRCPHMS-UHFFFAOYSA-N 2 0 425.555 -0.397 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000804083712 1073288945 /nfs/dbraw/zinc/28/89/45/1073288945.db2.gz DNOXRABPIZXIJA-IBGZPJMESA-N 2 0 447.536 -0.252 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000804083713 1073288915 /nfs/dbraw/zinc/28/89/15/1073288915.db2.gz DNOXRABPIZXIJA-LJQANCHMSA-N 2 0 447.536 -0.252 20 0 IBADRP CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804084147 1073289727 /nfs/dbraw/zinc/28/97/27/1073289727.db2.gz NVPOWLRWMJQHEQ-UHFFFAOYSA-N 2 0 439.582 -0.009 20 0 IBADRP CS(=O)(=O)CCN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000804084456 1073289583 /nfs/dbraw/zinc/28/95/83/1073289583.db2.gz WVPQLISLGJPTJW-UHFFFAOYSA-N 2 0 437.566 -0.255 20 0 IBADRP NC(=O)CN1CCCN(c2cc(N3CCCN(CC(N)=O)CC3)c3ccncc3n2)CC1 ZINC000804364041 1073632917 /nfs/dbraw/zinc/63/29/17/1073632917.db2.gz LEDZCDMTWAGWME-UHFFFAOYSA-N 2 0 440.552 -0.375 20 0 IBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807782026 1073926304 /nfs/dbraw/zinc/92/63/04/1073926304.db2.gz QDWLDBFRBIWBHI-UHFFFAOYSA-N 2 0 445.508 -0.632 20 0 IBADRP COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2)CC1 ZINC000815596391 1074028247 /nfs/dbraw/zinc/02/82/47/1074028247.db2.gz RYVBPBILLHLNQA-UHFFFAOYSA-N 2 0 449.556 -0.140 20 0 IBADRP C[C@H](CNC(=O)C(F)(F)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000821228183 1074053847 /nfs/dbraw/zinc/05/38/47/1074053847.db2.gz ADCBHOYNXIICDD-HDICACEKSA-N 2 0 446.587 -0.379 20 0 IBADRP C[C@H](CNC(=O)C(F)(F)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000821228194 1074054049 /nfs/dbraw/zinc/05/40/49/1074054049.db2.gz ADCBHOYNXIICDD-QZTJIDSGSA-N 2 0 446.587 -0.379 20 0 IBADRP C[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000821228196 1074053813 /nfs/dbraw/zinc/05/38/13/1074053813.db2.gz ADCBHOYNXIICDD-ROUUACIJSA-N 2 0 446.587 -0.379 20 0 IBADRP C[NH+]1CCC(O)(CNC(=O)CCSCCC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC001116195123 1073034616 /nfs/dbraw/zinc/03/46/16/1073034616.db2.gz CJHOYPOOTKDBDK-UHFFFAOYSA-N 2 0 430.615 -0.354 20 0 IBADRP C[C@]1(C2CC[NH+](CCC[NH+]3CCC([C@@]4(C)NC(=O)NC4=O)CC3)CC2)NC(=O)NC1=O ZINC001116409717 1073039736 /nfs/dbraw/zinc/03/97/36/1073039736.db2.gz BVBWLZNDQSURQI-NHCUHLMSSA-N 2 0 434.541 -0.003 20 0 IBADRP C[C@]1(C2CC[NH+](CCC[NH+]3CCC([C@]4(C)NC(=O)NC4=O)CC3)CC2)NC(=O)NC1=O ZINC001116409718 1073039832 /nfs/dbraw/zinc/03/98/32/1073039832.db2.gz BVBWLZNDQSURQI-OYRHEFFESA-N 2 0 434.541 -0.003 20 0 IBADRP C[C@@]1(C2CC[NH+](CCC[NH+]3CCC([C@]4(C)NC(=O)NC4=O)CC3)CC2)NC(=O)NC1=O ZINC001116409719 1073039753 /nfs/dbraw/zinc/03/97/53/1073039753.db2.gz BVBWLZNDQSURQI-SFTDATJTSA-N 2 0 434.541 -0.003 20 0 IBADRP 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 1073057270 /nfs/dbraw/zinc/05/72/70/1073057270.db2.gz LPJSFTVNVNYYSL-MHORFTMASA-N 2 0 426.583 -0.945 20 0 IBADRP 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 1073057383 /nfs/dbraw/zinc/05/73/83/1073057383.db2.gz LPJSFTVNVNYYSL-USTZCAOPSA-N 2 0 426.583 -0.945 20 0 IBADRP 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 1073057336 /nfs/dbraw/zinc/05/73/36/1073057336.db2.gz LPJSFTVNVNYYSL-XLAORIBOSA-N 2 0 426.583 -0.945 20 0 IBADRP 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 1073057462 /nfs/dbraw/zinc/05/74/62/1073057462.db2.gz LPJSFTVNVNYYSL-XSLAGTTESA-N 2 0 426.583 -0.945 20 0 IBADRP CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC001120466749 1073060391 /nfs/dbraw/zinc/06/03/91/1073060391.db2.gz CYUAMJIJNYJYHF-UHFFFAOYSA-N 2 0 432.612 -0.062 20 0 IBADRP CN1CCn2ncc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2S1(=O)=O ZINC001136462306 1074054809 /nfs/dbraw/zinc/05/48/09/1074054809.db2.gz DGYXIBYTFXWQRC-UHFFFAOYSA-N 2 0 433.538 -0.146 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@H](O)OC(C)(C)C)C1 ZINC001141957502 1072562523 /nfs/dbraw/zinc/56/25/23/1072562523.db2.gz DFKFZABSPRJJEN-IMYGGXQCSA-N 2 0 425.530 -0.461 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@H](O)OC(C)(C)C)C1 ZINC001141957506 1072562412 /nfs/dbraw/zinc/56/24/12/1072562412.db2.gz DFKFZABSPRJJEN-NDVSXACPSA-N 2 0 425.530 -0.461 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001141957507 1072562566 /nfs/dbraw/zinc/56/25/66/1072562566.db2.gz DFKFZABSPRJJEN-SARNLOFESA-N 2 0 425.530 -0.461 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cccnc2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001141957509 1072562582 /nfs/dbraw/zinc/56/25/82/1072562582.db2.gz DFKFZABSPRJJEN-XQWZKXDRSA-N 2 0 425.530 -0.461 20 0 IBADRP CC(=O)N1C[C@H](O)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+] ZINC001143038270 1073094473 /nfs/dbraw/zinc/09/44/73/1073094473.db2.gz QYGBGDHSGCNOAX-CRYCLNTLSA-N 2 0 444.573 -0.736 20 0 IBADRP CC(=O)N1C[C@H](O)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+] ZINC001143038271 1073094656 /nfs/dbraw/zinc/09/46/56/1073094656.db2.gz QYGBGDHSGCNOAX-GPDUBVANSA-N 2 0 444.573 -0.736 20 0 IBADRP CC(=O)N1C[C@H](O)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+] ZINC001143038272 1073094631 /nfs/dbraw/zinc/09/46/31/1073094631.db2.gz QYGBGDHSGCNOAX-JQOXKECFSA-N 2 0 444.573 -0.736 20 0 IBADRP CC(=O)N1C[C@H](O)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+] ZINC001143038273 1073094583 /nfs/dbraw/zinc/09/45/83/1073094583.db2.gz QYGBGDHSGCNOAX-OGQIGFOHSA-N 2 0 444.573 -0.736 20 0 IBADRP C[NH+]1CCN(CCC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001143231498 1073095861 /nfs/dbraw/zinc/09/58/61/1073095861.db2.gz XHPAHPLOAZZURF-ZWKOTPCHSA-N 2 0 448.593 -0.545 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCN2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001143238050 1073096788 /nfs/dbraw/zinc/09/67/88/1073096788.db2.gz VWYQFMBXPJEGME-DSVUQQCSSA-N 3 0 443.633 -0.081 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCN2CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001143238051 1073096635 /nfs/dbraw/zinc/09/66/35/1073096635.db2.gz VWYQFMBXPJEGME-OAGDOXAWSA-N 3 0 443.633 -0.081 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCN2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001143238052 1073096408 /nfs/dbraw/zinc/09/64/08/1073096408.db2.gz VWYQFMBXPJEGME-OEUJLIAZSA-N 3 0 443.633 -0.081 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCN2CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001143238053 1073096349 /nfs/dbraw/zinc/09/63/49/1073096349.db2.gz VWYQFMBXPJEGME-RDIJVOARSA-N 3 0 443.633 -0.081 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCN2CC[NH+](C)CC2)c2nonc21 ZINC001143238144 1073096754 /nfs/dbraw/zinc/09/67/54/1073096754.db2.gz YBEHDEDCMOWGIL-UHFFFAOYSA-N 2 0 439.542 -0.598 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001144594468 1074075457 /nfs/dbraw/zinc/07/54/57/1074075457.db2.gz LSIPBFJRGVAAGQ-CUINURIISA-N 2 0 438.591 -0.649 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001144594477 1074075669 /nfs/dbraw/zinc/07/56/69/1074075669.db2.gz LSIPBFJRGVAAGQ-JBJRXJHCSA-N 2 0 438.591 -0.649 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001144594478 1074075812 /nfs/dbraw/zinc/07/58/12/1074075812.db2.gz LSIPBFJRGVAAGQ-WAXYHTEFSA-N 2 0 438.591 -0.649 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCS(N)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001144594479 1074075774 /nfs/dbraw/zinc/07/57/74/1074075774.db2.gz LSIPBFJRGVAAGQ-WLRQEKSISA-N 2 0 438.591 -0.649 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001147701949 1074104359 /nfs/dbraw/zinc/10/43/59/1074104359.db2.gz ZWWIHCKUVYFWCB-ITUGXKRYSA-N 2 0 427.502 -0.203 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001147701950 1074104253 /nfs/dbraw/zinc/10/42/53/1074104253.db2.gz ZWWIHCKUVYFWCB-OTOWQAMOSA-N 2 0 427.502 -0.203 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001147701951 1074104234 /nfs/dbraw/zinc/10/42/34/1074104234.db2.gz ZWWIHCKUVYFWCB-UGUIXCICSA-N 2 0 427.502 -0.203 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001147701952 1074104303 /nfs/dbraw/zinc/10/43/03/1074104303.db2.gz ZWWIHCKUVYFWCB-WFTPUGBTSA-N 2 0 427.502 -0.203 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001147759691 1074104878 /nfs/dbraw/zinc/10/48/78/1074104878.db2.gz GUIQKSXRAOIHCZ-QFPJVRJESA-N 2 0 438.529 -0.515 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001147759697 1074104863 /nfs/dbraw/zinc/10/48/63/1074104863.db2.gz GUIQKSXRAOIHCZ-VYTNBFIRSA-N 2 0 438.529 -0.515 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147759701 1074104767 /nfs/dbraw/zinc/10/47/67/1074104767.db2.gz GUIQKSXRAOIHCZ-YKFCVNMJSA-N 2 0 438.529 -0.515 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nccnc2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147759705 1074104883 /nfs/dbraw/zinc/10/48/83/1074104883.db2.gz GUIQKSXRAOIHCZ-ZAOLFHJGSA-N 2 0 438.529 -0.515 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@H](O)OC(C)(C)C)C1 ZINC001149446203 1073098356 /nfs/dbraw/zinc/09/83/56/1073098356.db2.gz FIGSKFFHGKXGHP-CCYCNUDBSA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001149446204 1073098411 /nfs/dbraw/zinc/09/84/11/1073098411.db2.gz FIGSKFFHGKXGHP-GDQDSAMQSA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@H](O)OC(C)(C)C)C1 ZINC001149446206 1073098732 /nfs/dbraw/zinc/09/87/32/1073098732.db2.gz FIGSKFFHGKXGHP-KJOTTYOHSA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CN3NC=CC=C3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001149446209 1073098709 /nfs/dbraw/zinc/09/87/09/1073098709.db2.gz FIGSKFFHGKXGHP-RSXWSOLBSA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@H](O)OC(C)(C)C)C1 ZINC001149466566 1073098943 /nfs/dbraw/zinc/09/89/43/1073098943.db2.gz KFYOCKARDCNRJI-FMCFTNBYSA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@H](O)OC(C)(C)C)C1 ZINC001149466567 1073098663 /nfs/dbraw/zinc/09/86/63/1073098663.db2.gz KFYOCKARDCNRJI-JCTFZMBRSA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@@H](O)OC(C)(C)C)C1 ZINC001149466568 1073098968 /nfs/dbraw/zinc/09/89/68/1073098968.db2.gz KFYOCKARDCNRJI-JTVCPLHISA-N 2 0 436.557 -0.098 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=CNN3C=CNC=C23)[C@@H](O)OC(C)(C)C)C1 ZINC001149466569 1073098851 /nfs/dbraw/zinc/09/88/51/1073098851.db2.gz KFYOCKARDCNRJI-KZTUBPIMSA-N 2 0 436.557 -0.098 20 0 IBADRP CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn32)C1 ZINC001150423207 1073109535 /nfs/dbraw/zinc/10/95/35/1073109535.db2.gz RKVIININHGSNHZ-HNNXBMFYSA-N 2 0 444.544 -0.226 20 0 IBADRP CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cn32)C1 ZINC001150423208 1073109617 /nfs/dbraw/zinc/10/96/17/1073109617.db2.gz RKVIININHGSNHZ-OAHLLOKOSA-N 2 0 444.544 -0.226 20 0 IBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157334867 1073161658 /nfs/dbraw/zinc/16/16/58/1073161658.db2.gz AKHCWPIMHLYPMC-QAETUUGQSA-N 2 0 440.589 -0.785 20 0 IBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001157355977 1073161672 /nfs/dbraw/zinc/16/16/72/1073161672.db2.gz ZWHBLHCLUBCFGT-KRWDZBQOSA-N 2 0 425.555 -0.310 20 0 IBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ccc12 ZINC001157364741 1073162121 /nfs/dbraw/zinc/16/21/21/1073162121.db2.gz HHXJXSZNLOQAQA-HNNXBMFYSA-N 2 0 427.461 -0.919 20 0 IBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ccc12 ZINC001157364742 1073162164 /nfs/dbraw/zinc/16/21/64/1073162164.db2.gz HHXJXSZNLOQAQA-OAHLLOKOSA-N 2 0 427.461 -0.919 20 0 IBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)ccc12 ZINC001157364766 1073162176 /nfs/dbraw/zinc/16/21/76/1073162176.db2.gz IALLWXYWNYKZPN-JLCFBVMHSA-N 2 0 441.488 -0.529 20 0 IBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)ccc12 ZINC001157364971 1073162600 /nfs/dbraw/zinc/16/26/00/1073162600.db2.gz PEMGGXMZGBTEBP-FQEVSTJZSA-N 2 0 429.477 -0.401 20 0 IBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)ccc12 ZINC001157364972 1073162607 /nfs/dbraw/zinc/16/26/07/1073162607.db2.gz PEMGGXMZGBTEBP-HXUWFJFHSA-N 2 0 429.477 -0.401 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001157398987 1073163250 /nfs/dbraw/zinc/16/32/50/1073163250.db2.gz AXVLLJYYFOQHQI-YJBOKZPZSA-N 2 0 435.523 -0.115 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C(F)(F)Br ZINC001157432657 1073164420 /nfs/dbraw/zinc/16/44/20/1073164420.db2.gz FIOBJTPBUSGUAC-QWRGUYRKSA-N 2 0 442.305 -0.346 20 0 IBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001157448855 1073164758 /nfs/dbraw/zinc/16/47/58/1073164758.db2.gz MLYFMRHUQGXNDT-IRXDYDNUSA-N 2 0 436.509 -0.988 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627853 1073165390 /nfs/dbraw/zinc/16/53/90/1073165390.db2.gz ZJCQDPMZQKCRMV-HKUYNNGSSA-N 2 0 437.585 -0.208 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157721484 1073166259 /nfs/dbraw/zinc/16/62/59/1073166259.db2.gz YJCPMEJEVSEJGJ-BJLQDIEVSA-N 2 0 433.553 -0.740 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157721485 1073166275 /nfs/dbraw/zinc/16/62/75/1073166275.db2.gz YJCPMEJEVSEJGJ-HBFSDRIKSA-N 2 0 433.553 -0.740 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](F)(C[NH3+])CC1)C(=O)CF ZINC001157745149 1073166605 /nfs/dbraw/zinc/16/66/05/1073166605.db2.gz MQJNSZLIHPUMQC-CXIBIASBSA-N 2 0 447.527 -0.433 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](F)(C[NH3+])CC1)C(=O)CF ZINC001157745157 1073166569 /nfs/dbraw/zinc/16/65/69/1073166569.db2.gz MQJNSZLIHPUMQC-FGTCXIJOSA-N 2 0 447.527 -0.433 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](C[NH3+])[C@H]1C)C(=O)CF ZINC001157843089 1073167057 /nfs/dbraw/zinc/16/70/57/1073167057.db2.gz PFMLKDSVFGZMDE-DTFBLWLJSA-N 2 0 429.537 -0.526 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](C[NH3+])[C@@H]1C)C(=O)CF ZINC001157843090 1073167120 /nfs/dbraw/zinc/16/71/20/1073167120.db2.gz PFMLKDSVFGZMDE-GLRLOKQVSA-N 2 0 429.537 -0.526 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](C[NH3+])[C@H]1C)C(=O)CF ZINC001157843091 1073167101 /nfs/dbraw/zinc/16/71/01/1073167101.db2.gz PFMLKDSVFGZMDE-KIBLCYBISA-N 2 0 429.537 -0.526 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C)C(=O)CF ZINC001157843092 1073167082 /nfs/dbraw/zinc/16/70/82/1073167082.db2.gz PFMLKDSVFGZMDE-PQKJENKHSA-N 2 0 429.537 -0.526 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077857 1073170395 /nfs/dbraw/zinc/17/03/95/1073170395.db2.gz YLKODAIKGBNCHA-BZSNNMDCSA-N 2 0 437.585 -0.164 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CC([NH3+])C2)CC1)C(=O)CF ZINC001158082777 1073170422 /nfs/dbraw/zinc/17/04/22/1073170422.db2.gz RDQXSVBEBQPSTB-YEWWUXTCSA-N 2 0 441.548 -0.382 20 0 IBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100936 1073170915 /nfs/dbraw/zinc/17/09/15/1073170915.db2.gz DBAQYRKAPZGZNL-FIKGOQFSSA-N 2 0 433.578 -0.515 20 0 IBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100937 1073170838 /nfs/dbraw/zinc/17/08/38/1073170838.db2.gz DBAQYRKAPZGZNL-XGHQBKJUSA-N 2 0 433.578 -0.515 20 0 IBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158101599 1073170852 /nfs/dbraw/zinc/17/08/52/1073170852.db2.gz KGHRNWOEYDTAPJ-FXAWDEMLSA-N 2 0 437.566 -0.539 20 0 IBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158101607 1073170930 /nfs/dbraw/zinc/17/09/30/1073170930.db2.gz KGHRNWOEYDTAPJ-PXNSSMCTSA-N 2 0 437.566 -0.539 20 0 IBADRP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102599 1073170907 /nfs/dbraw/zinc/17/09/07/1073170907.db2.gz UNMYNWUMYBFJHG-BBRMVZONSA-N 2 0 428.274 -0.149 20 0 IBADRP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102600 1073170880 /nfs/dbraw/zinc/17/08/80/1073170880.db2.gz UNMYNWUMYBFJHG-XJKSGUPXSA-N 2 0 428.274 -0.149 20 0 IBADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102663 1073170874 /nfs/dbraw/zinc/17/08/74/1073170874.db2.gz VBOSPXSPAJYUAI-VGOFRKELSA-N 2 0 426.521 -0.377 20 0 IBADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102664 1073170866 /nfs/dbraw/zinc/17/08/66/1073170866.db2.gz VBOSPXSPAJYUAI-VGSWGCGISA-N 2 0 426.521 -0.377 20 0 IBADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111481 1073171221 /nfs/dbraw/zinc/17/12/21/1073171221.db2.gz OLHLNJKHDZDFJC-CVDCTZTESA-N 2 0 438.532 -0.135 20 0 IBADRP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111482 1073171318 /nfs/dbraw/zinc/17/13/18/1073171318.db2.gz OLHLNJKHDZDFJC-WMZHIEFXSA-N 2 0 438.532 -0.135 20 0 IBADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC001158118826 1073171297 /nfs/dbraw/zinc/17/12/97/1073171297.db2.gz DNVWYDWHLHUORO-BSRJHKFKSA-N 2 0 425.533 -0.596 20 0 IBADRP O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC001158118827 1073171217 /nfs/dbraw/zinc/17/12/17/1073171217.db2.gz DNVWYDWHLHUORO-IUKKYPGJSA-N 2 0 425.533 -0.596 20 0 IBADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119502 1073171523 /nfs/dbraw/zinc/17/15/23/1073171523.db2.gz HQTMDVPAUMYHAO-IXFSTUDKSA-N 2 0 426.517 -0.154 20 0 IBADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119506 1073171689 /nfs/dbraw/zinc/17/16/89/1073171689.db2.gz HQTMDVPAUMYHAO-YZZKKUAISA-N 2 0 426.517 -0.154 20 0 IBADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119841 1073171670 /nfs/dbraw/zinc/17/16/70/1073171670.db2.gz HUHBPFCUGCTYAI-AOMKIAJQSA-N 2 0 426.473 -0.303 20 0 IBADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119842 1073171757 /nfs/dbraw/zinc/17/17/57/1073171757.db2.gz HUHBPFCUGCTYAI-KSFYIVLOSA-N 2 0 426.473 -0.303 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120153 1073171626 /nfs/dbraw/zinc/17/16/26/1073171626.db2.gz JSWZFNIEUAEGCT-CKFHNAJUSA-N 2 0 443.639 -0.757 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120154 1073171711 /nfs/dbraw/zinc/17/17/11/1073171711.db2.gz JSWZFNIEUAEGCT-NJSLBKSFSA-N 2 0 443.639 -0.757 20 0 IBADRP O=C(c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120305 1073171563 /nfs/dbraw/zinc/17/15/63/1073171563.db2.gz NUBBMNQJLZQORQ-NRFANRHFSA-N 2 0 447.561 -0.731 20 0 IBADRP O=C(c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120306 1073171598 /nfs/dbraw/zinc/17/15/98/1073171598.db2.gz NUBBMNQJLZQORQ-OAQYLSRUSA-N 2 0 447.561 -0.731 20 0 IBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120456 1073171985 /nfs/dbraw/zinc/17/19/85/1073171985.db2.gz MXAUUEYPMSLNOU-IERDGZPVSA-N 2 0 431.562 -0.699 20 0 IBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120457 1073172066 /nfs/dbraw/zinc/17/20/66/1073172066.db2.gz MXAUUEYPMSLNOU-IIBYNOLFSA-N 2 0 431.562 -0.699 20 0 IBADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)cc(=O)oc2c1 ZINC001158120639 1073172004 /nfs/dbraw/zinc/17/20/04/1073172004.db2.gz OZBKYTQMXBIATP-AOMKIAJQSA-N 2 0 426.473 -0.391 20 0 IBADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)cc(=O)oc2c1 ZINC001158120641 1073172073 /nfs/dbraw/zinc/17/20/73/1073172073.db2.gz OZBKYTQMXBIATP-KSFYIVLOSA-N 2 0 426.473 -0.391 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120698 1073172060 /nfs/dbraw/zinc/17/20/60/1073172060.db2.gz PMVUEVLCBVGCGS-KZDUYQQSSA-N 2 0 425.599 -0.464 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120703 1073172019 /nfs/dbraw/zinc/17/20/19/1073172019.db2.gz PMVUEVLCBVGCGS-VPCSNGCSSA-N 2 0 425.599 -0.464 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@]12CCC[NH2+]C2)C(=O)CF ZINC001158162273 1073172537 /nfs/dbraw/zinc/17/25/37/1073172537.db2.gz WKZPUNDDQANEQS-YAUSHBINSA-N 2 0 441.548 -0.368 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@]12CCC[NH2+]C2)C(=O)CF ZINC001158162274 1073172466 /nfs/dbraw/zinc/17/24/66/1073172466.db2.gz WKZPUNDDQANEQS-YYJDGNJWSA-N 2 0 441.548 -0.368 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001158167012 1073172480 /nfs/dbraw/zinc/17/24/80/1073172480.db2.gz GRMMKIVUHHCWEF-ATZDWAIDSA-N 2 0 433.534 -0.255 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CCC[NH2+]2)CC1)C(=O)CF ZINC001158170234 1073172876 /nfs/dbraw/zinc/17/28/76/1073172876.db2.gz XOPJJZRRGPQBBO-MPGHIAIKSA-N 2 0 441.548 -0.368 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179380 1073172977 /nfs/dbraw/zinc/17/29/77/1073172977.db2.gz LHVWISILGCIYKY-HDAAZOAOSA-N 2 0 445.564 -0.740 20 0 IBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276649 1073173673 /nfs/dbraw/zinc/17/36/73/1073173673.db2.gz BXJPFGZVQOROLD-SFHVURJKSA-N 2 0 436.520 -0.134 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277937 1073173657 /nfs/dbraw/zinc/17/36/57/1073173657.db2.gz YARVWHOLAOQXQJ-HOTGVXAUSA-N 2 0 433.557 -0.168 20 0 IBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352699 1073174822 /nfs/dbraw/zinc/17/48/22/1073174822.db2.gz VOCCVDMTOXZUOP-AVRDEDQJSA-N 2 0 445.568 -0.681 20 0 IBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352915 1073175361 /nfs/dbraw/zinc/17/53/61/1073175361.db2.gz XASCQUPDZLSEIR-SPEDKVCISA-N 2 0 445.568 -0.553 20 0 IBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352917 1073175355 /nfs/dbraw/zinc/17/53/55/1073175355.db2.gz XASCQUPDZLSEIR-SVMVAKDDSA-N 2 0 445.568 -0.553 20 0 IBADRP 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 1073176496 /nfs/dbraw/zinc/17/64/96/1073176496.db2.gz PTVHUPBXMNTXFN-GDIGMMSISA-N 3 0 448.486 -0.017 20 0 IBADRP 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 1073176459 /nfs/dbraw/zinc/17/64/59/1073176459.db2.gz PTVHUPBXMNTXFN-KYNGSXCRSA-N 3 0 448.486 -0.017 20 0 IBADRP 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 1073176513 /nfs/dbraw/zinc/17/65/13/1073176513.db2.gz PTVHUPBXMNTXFN-NIKGAXFTSA-N 3 0 448.486 -0.017 20 0 IBADRP 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 1073176431 /nfs/dbraw/zinc/17/64/31/1073176431.db2.gz PTVHUPBXMNTXFN-ZMYBRWDISA-N 3 0 448.486 -0.017 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001158384278 1073176418 /nfs/dbraw/zinc/17/64/18/1073176418.db2.gz RPEQJQIBVSWXFG-DJSGYFEHSA-N 2 0 439.456 -0.693 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001158384279 1073176454 /nfs/dbraw/zinc/17/64/54/1073176454.db2.gz RPEQJQIBVSWXFG-PEYYIBSZSA-N 2 0 439.456 -0.693 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001158384280 1073176524 /nfs/dbraw/zinc/17/65/24/1073176524.db2.gz RPEQJQIBVSWXFG-SGIREYDYSA-N 2 0 439.456 -0.693 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001158384281 1073176504 /nfs/dbraw/zinc/17/65/04/1073176504.db2.gz RPEQJQIBVSWXFG-XFJVYGCCSA-N 2 0 439.456 -0.693 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001158384986 1073176428 /nfs/dbraw/zinc/17/64/28/1073176428.db2.gz UELJYAXQDACWNT-JBBXEZCESA-N 2 0 432.443 -0.354 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001158384987 1073176493 /nfs/dbraw/zinc/17/64/93/1073176493.db2.gz UELJYAXQDACWNT-NXOUGTEYSA-N 2 0 432.443 -0.354 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001158384988 1073176448 /nfs/dbraw/zinc/17/64/48/1073176448.db2.gz UELJYAXQDACWNT-PJSAGSTRSA-N 2 0 432.443 -0.354 20 0 IBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001158384989 1073176408 /nfs/dbraw/zinc/17/64/08/1073176408.db2.gz UELJYAXQDACWNT-RZAIGCCYSA-N 2 0 432.443 -0.354 20 0 IBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001158466887 1073177413 /nfs/dbraw/zinc/17/74/13/1073177413.db2.gz CUKUPXVDNNQMFZ-GQIGUUNPSA-N 2 0 439.578 -0.065 20 0 IBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001158466890 1073177358 /nfs/dbraw/zinc/17/73/58/1073177358.db2.gz CUKUPXVDNNQMFZ-TWOQFEAHSA-N 2 0 439.578 -0.065 20 0 IBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158467934 1073177464 /nfs/dbraw/zinc/17/74/64/1073177464.db2.gz JCYHBJZAOOQDIC-HNAYVOBHSA-N 2 0 430.571 -0.622 20 0 IBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001158505954 1073177954 /nfs/dbraw/zinc/17/79/54/1073177954.db2.gz JGQUPPPHIPSUEP-UDTPNQRGSA-N 2 0 427.505 -0.094 20 0 IBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2)CC1 ZINC001158513709 1073177769 /nfs/dbraw/zinc/17/77/69/1073177769.db2.gz PYDKIAISLHNQDT-WMLDXEAASA-N 2 0 439.557 -0.650 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545554 1073178382 /nfs/dbraw/zinc/17/83/82/1073178382.db2.gz HFPUBCLHBNRFTK-ROGOSAHYSA-N 2 0 435.569 -0.635 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545566 1073178404 /nfs/dbraw/zinc/17/84/04/1073178404.db2.gz HFPUBCLHBNRFTK-XMJOBFJKSA-N 2 0 435.569 -0.635 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577877 1073178278 /nfs/dbraw/zinc/17/82/78/1073178278.db2.gz JWNSDCKIDHPHOY-NCOADZHNSA-N 2 0 425.549 -0.079 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158577878 1073178390 /nfs/dbraw/zinc/17/83/90/1073178390.db2.gz JWNSDCKIDHPHOY-QAETUUGQSA-N 2 0 425.549 -0.079 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158577879 1073178320 /nfs/dbraw/zinc/17/83/20/1073178320.db2.gz JWNSDCKIDHPHOY-QZWWFDLISA-N 2 0 425.549 -0.079 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158577880 1073178398 /nfs/dbraw/zinc/17/83/98/1073178398.db2.gz JWNSDCKIDHPHOY-YVSFHVDLSA-N 2 0 425.549 -0.079 20 0 IBADRP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]2c2ccccc2)C1=O ZINC001158626349 1073179022 /nfs/dbraw/zinc/17/90/22/1073179022.db2.gz LAZBQAACONLDPH-NPPFBWRTSA-N 2 0 447.605 -0.062 20 0 IBADRP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2c2ccccc2)C1=O ZINC001158626425 1073178902 /nfs/dbraw/zinc/17/89/02/1073178902.db2.gz ODSNCLJHPLREJY-AXHZCLLHSA-N 2 0 439.560 -0.272 20 0 IBADRP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2c2ccccc2)C1=O ZINC001158626426 1073179036 /nfs/dbraw/zinc/17/90/36/1073179036.db2.gz ODSNCLJHPLREJY-YDIMBITNSA-N 2 0 439.560 -0.272 20 0 IBADRP O=C(COCc1nnn2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCC2)N1CCCC1 ZINC001158629147 1073179419 /nfs/dbraw/zinc/17/94/19/1073179419.db2.gz CYVNGLCRYWWRDJ-IIBYNOLFSA-N 2 0 431.541 -0.652 20 0 IBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630653 1073180405 /nfs/dbraw/zinc/18/04/05/1073180405.db2.gz UJNIUANBQWJILD-AWEZNQCLSA-N 2 0 425.559 -0.831 20 0 IBADRP Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C3)nn1 ZINC001158657357 1073182109 /nfs/dbraw/zinc/18/21/09/1073182109.db2.gz CPVOBVJKGBFTFU-JUXOCIIHSA-N 2 0 447.584 -0.419 20 0 IBADRP Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C3)nn1 ZINC001158657358 1073182069 /nfs/dbraw/zinc/18/20/69/1073182069.db2.gz CPVOBVJKGBFTFU-LZNRXBQRSA-N 2 0 447.584 -0.419 20 0 IBADRP Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C3)nn1 ZINC001158657359 1073182077 /nfs/dbraw/zinc/18/20/77/1073182077.db2.gz CPVOBVJKGBFTFU-SFGWALBWSA-N 2 0 447.584 -0.419 20 0 IBADRP Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C3)nn1 ZINC001158657360 1073182118 /nfs/dbraw/zinc/18/21/18/1073182118.db2.gz CPVOBVJKGBFTFU-ZWCUEREDSA-N 2 0 447.584 -0.419 20 0 IBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)COC1(C)C ZINC001158658010 1073182048 /nfs/dbraw/zinc/18/20/48/1073182048.db2.gz HEZNVWIYXCKURI-WFASDCNBSA-N 2 0 429.481 -0.046 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001158734492 1073184734 /nfs/dbraw/zinc/18/47/34/1073184734.db2.gz ADWSVUOMMPTIRA-HNNXBMFYSA-N 2 0 435.506 -0.705 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001158734520 1073184800 /nfs/dbraw/zinc/18/48/00/1073184800.db2.gz BETXCAFWAPBDPQ-ZFWWWQNUSA-N 2 0 425.511 -0.649 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001158734796 1073184792 /nfs/dbraw/zinc/18/47/92/1073184792.db2.gz FNVRTNIJQVEDJW-UHFFFAOYSA-N 2 0 426.524 -0.212 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001158734802 1073185307 /nfs/dbraw/zinc/18/53/07/1073185307.db2.gz FTEUHPYSAYDUPA-JLTOFOAXSA-N 2 0 445.501 -0.282 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001158734805 1073185242 /nfs/dbraw/zinc/18/52/42/1073185242.db2.gz FTEUHPYSAYDUPA-VBKZILBWSA-N 2 0 445.501 -0.282 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001158734808 1073185299 /nfs/dbraw/zinc/18/52/99/1073185299.db2.gz FTEUHPYSAYDUPA-VLIAUNLRSA-N 2 0 445.501 -0.282 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001158734810 1073185265 /nfs/dbraw/zinc/18/52/65/1073185265.db2.gz FTEUHPYSAYDUPA-XOBRGWDASA-N 2 0 445.501 -0.282 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001158735051 1073185350 /nfs/dbraw/zinc/18/53/50/1073185350.db2.gz LUCNITAXEJWUOA-CYBMUJFWSA-N 2 0 435.510 -0.849 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001158735052 1073185284 /nfs/dbraw/zinc/18/52/84/1073185284.db2.gz LUCNITAXEJWUOA-ZDUSSCGKSA-N 2 0 435.510 -0.849 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001158735104 1073185339 /nfs/dbraw/zinc/18/53/39/1073185339.db2.gz NKIRHLRJRFHNCJ-HNNXBMFYSA-N 2 0 435.506 -0.705 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001158735206 1073185219 /nfs/dbraw/zinc/18/52/19/1073185219.db2.gz RIUZSVHHQKPQQH-CYBMUJFWSA-N 2 0 446.551 -0.977 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001158735207 1073185232 /nfs/dbraw/zinc/18/52/32/1073185232.db2.gz RIUZSVHHQKPQQH-ZDUSSCGKSA-N 2 0 446.551 -0.977 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001158735545 1073185357 /nfs/dbraw/zinc/18/53/57/1073185357.db2.gz VICHJHNITADQAJ-GDBMZVCRSA-N 2 0 445.501 -0.279 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001158735547 1073185315 /nfs/dbraw/zinc/18/53/15/1073185315.db2.gz VICHJHNITADQAJ-GOEBONIOSA-N 2 0 445.501 -0.279 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001158735549 1073185195 /nfs/dbraw/zinc/18/51/95/1073185195.db2.gz VICHJHNITADQAJ-HOCLYGCPSA-N 2 0 445.501 -0.279 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001158735551 1073185250 /nfs/dbraw/zinc/18/52/50/1073185250.db2.gz VICHJHNITADQAJ-ZBFHGGJFSA-N 2 0 445.501 -0.279 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001158735997 1073185292 /nfs/dbraw/zinc/18/52/92/1073185292.db2.gz YRGPYCDDOXKMPS-AWEZNQCLSA-N 2 0 434.522 -0.244 20 0 IBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001158735998 1073185271 /nfs/dbraw/zinc/18/52/71/1073185271.db2.gz YRGPYCDDOXKMPS-CQSZACIVSA-N 2 0 434.522 -0.244 20 0 IBADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158747269 1073185749 /nfs/dbraw/zinc/18/57/49/1073185749.db2.gz KPEXHAUPYSXGLS-GOSISDBHSA-N 2 0 435.525 -0.383 20 0 IBADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158747270 1073185757 /nfs/dbraw/zinc/18/57/57/1073185757.db2.gz KPEXHAUPYSXGLS-SFHVURJKSA-N 2 0 435.525 -0.383 20 0 IBADRP 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 1073185682 /nfs/dbraw/zinc/18/56/82/1073185682.db2.gz AITQCPUKGCGNLI-AKHDSKFASA-N 2 0 436.553 -0.286 20 0 IBADRP 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 1073185651 /nfs/dbraw/zinc/18/56/51/1073185651.db2.gz AITQCPUKGCGNLI-YRXWBPOGSA-N 2 0 436.553 -0.286 20 0 IBADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158758936 1073186100 /nfs/dbraw/zinc/18/61/00/1073186100.db2.gz GKYJYNNOZXXJPM-YOEHRIQHSA-N 2 0 431.541 -0.639 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158815346 1073187694 /nfs/dbraw/zinc/18/76/94/1073187694.db2.gz XRLSHQBMWSUSED-MTQWCTHYSA-N 2 0 430.553 -0.688 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158815347 1073187762 /nfs/dbraw/zinc/18/77/62/1073187762.db2.gz XRLSHQBMWSUSED-ZGXWSNOMSA-N 2 0 430.553 -0.688 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001158832018 1073188329 /nfs/dbraw/zinc/18/83/29/1073188329.db2.gz HJAIVHAWROARFB-BHYGNILZSA-N 2 0 438.550 -0.440 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001158832443 1073188214 /nfs/dbraw/zinc/18/82/14/1073188214.db2.gz HJAIVHAWROARFB-XIRDDKMYSA-N 2 0 438.550 -0.440 20 0 IBADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158857623 1073188825 /nfs/dbraw/zinc/18/88/25/1073188825.db2.gz VKIHNTZRHWFCSS-KSSFIOAISA-N 2 0 433.557 -0.411 20 0 IBADRP CC(C)N(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870691 1073188689 /nfs/dbraw/zinc/18/86/89/1073188689.db2.gz AUSXSJLTVPDHSU-ZIFCJYIRSA-N 2 0 430.553 -0.023 20 0 IBADRP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870706 1073188777 /nfs/dbraw/zinc/18/87/77/1073188777.db2.gz BGRWURJVSQCTGK-KRWDZBQOSA-N 3 0 429.569 -0.448 20 0 IBADRP CC(C)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870707 1073188703 /nfs/dbraw/zinc/18/87/03/1073188703.db2.gz BGRWURJVSQCTGK-QGZVFWFLSA-N 3 0 429.569 -0.448 20 0 IBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1COC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870722 1073188734 /nfs/dbraw/zinc/18/87/34/1073188734.db2.gz BVLCLAFTIUIOSQ-AOMKIAJQSA-N 2 0 430.553 -0.021 20 0 IBADRP CC(C)N(C(=O)/C=C/C(=O)NCC[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870887 1073188746 /nfs/dbraw/zinc/18/87/46/1073188746.db2.gz DOTIJDRKBKOGCZ-ONEGZZNKSA-N 2 0 431.541 -0.626 20 0 IBADRP CC(C)N(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870903 1073188810 /nfs/dbraw/zinc/18/88/10/1073188810.db2.gz DWBLRCILFBBTGT-CDMIOBSGSA-N 2 0 429.569 -0.035 20 0 IBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870905 1073188858 /nfs/dbraw/zinc/18/88/58/1073188858.db2.gz FBWHZKSXWKAXPQ-AOMKIAJQSA-N 2 0 429.569 -0.306 20 0 IBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870906 1073189284 /nfs/dbraw/zinc/18/92/84/1073189284.db2.gz FBWHZKSXWKAXPQ-KSFYIVLOSA-N 2 0 429.569 -0.306 20 0 IBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870907 1073189288 /nfs/dbraw/zinc/18/92/88/1073189288.db2.gz FBWHZKSXWKAXPQ-OPAMFIHVSA-N 2 0 429.569 -0.306 20 0 IBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870908 1073189239 /nfs/dbraw/zinc/18/92/39/1073189239.db2.gz FBWHZKSXWKAXPQ-ZHRRBRCNSA-N 2 0 429.569 -0.306 20 0 IBADRP CC(C)N(C(=O)[C@@H]([NH3+])CCCNC(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870910 1073189278 /nfs/dbraw/zinc/18/92/78/1073189278.db2.gz FEHHKJILXMEMCC-INIZCTEOSA-N 2 0 448.572 -0.481 20 0 IBADRP CC(C)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871104 1073189243 /nfs/dbraw/zinc/18/92/43/1073189243.db2.gz HSOBQBFQXXYOFT-ZYSHUDEJSA-N 2 0 429.569 -0.307 20 0 IBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871878 1073189229 /nfs/dbraw/zinc/18/92/29/1073189229.db2.gz WVTLXCZPKNIONB-UZUQRXQVSA-N 3 0 443.596 -0.058 20 0 IBADRP CC(C)N(C(=O)[C@@H]([NH3+])Cn1cccn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872009 1073189292 /nfs/dbraw/zinc/18/92/92/1073189292.db2.gz XLDWLCGZDOHODK-KRWDZBQOSA-N 2 0 428.541 -0.033 20 0 IBADRP CC(C)N(C(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872070 1073189193 /nfs/dbraw/zinc/18/91/93/1073189193.db2.gz XYGBNLPKLAPBHK-DOTOQJQBSA-N 2 0 429.525 -0.283 20 0 IBADRP CC(C)N(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872075 1073189286 /nfs/dbraw/zinc/18/92/86/1073189286.db2.gz YAGLODHVHHZFAN-GOSISDBHSA-N 2 0 443.552 -0.779 20 0 IBADRP CC(C)N(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872076 1073189250 /nfs/dbraw/zinc/18/92/50/1073189250.db2.gz YAGLODHVHHZFAN-SFHVURJKSA-N 2 0 443.552 -0.779 20 0 IBADRP CC(C)N(C(=O)COCCOCC[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158882877 1073189216 /nfs/dbraw/zinc/18/92/16/1073189216.db2.gz CYKFBFJLBVMGTE-UHFFFAOYSA-N 2 0 436.557 -0.265 20 0 IBADRP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158882950 1073189264 /nfs/dbraw/zinc/18/92/64/1073189264.db2.gz DLWTUKZTWSEPDX-SFHVURJKSA-N 2 0 445.568 -0.308 20 0 IBADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883143 1073189750 /nfs/dbraw/zinc/18/97/50/1073189750.db2.gz GEVBLHLJFAYSJM-GJZGRUSLSA-N 2 0 433.557 -0.405 20 0 IBADRP CC(C)N(C(=O)C[C@@H]([NH3+])CCC(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883524 1073189698 /nfs/dbraw/zinc/18/96/98/1073189698.db2.gz IGPXOMREKBUSDT-HNNXBMFYSA-N 2 0 433.557 -0.274 20 0 IBADRP CCOC(=O)C1(C(=O)N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)C[NH2+]C1 ZINC001158884407 1073189618 /nfs/dbraw/zinc/18/96/18/1073189618.db2.gz MEYNPMHAQZBVJH-UHFFFAOYSA-N 2 0 446.552 -0.105 20 0 IBADRP CC(C)N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158884963 1073189644 /nfs/dbraw/zinc/18/96/44/1073189644.db2.gz QVMWUXFSEQIZDD-BEIWTESXSA-N 2 0 438.598 -0.161 20 0 IBADRP CC(C)N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158884964 1073189656 /nfs/dbraw/zinc/18/96/56/1073189656.db2.gz QVMWUXFSEQIZDD-DFYVNMARSA-N 2 0 438.598 -0.161 20 0 IBADRP CC(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158885467 1073189724 /nfs/dbraw/zinc/18/97/24/1073189724.db2.gz VXWQARSGAZHBGH-INIZCTEOSA-N 3 0 437.614 -0.238 20 0 IBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001158885529 1073189665 /nfs/dbraw/zinc/18/96/65/1073189665.db2.gz WWHBEZWKHJEAPQ-HKUYNNGSSA-N 2 0 446.552 -0.106 20 0 IBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001158885530 1073189703 /nfs/dbraw/zinc/18/97/03/1073189703.db2.gz WWHBEZWKHJEAPQ-IEBWSBKVSA-N 2 0 446.552 -0.106 20 0 IBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001158885531 1073189733 /nfs/dbraw/zinc/18/97/33/1073189733.db2.gz WWHBEZWKHJEAPQ-MJGOQNOKSA-N 2 0 446.552 -0.106 20 0 IBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001158885532 1073190059 /nfs/dbraw/zinc/19/00/59/1073190059.db2.gz WWHBEZWKHJEAPQ-PKOBYXMFSA-N 2 0 446.552 -0.106 20 0 IBADRP CC(C)N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158885668 1073190223 /nfs/dbraw/zinc/19/02/23/1073190223.db2.gz XOBSQPDJKMTAGV-SFHVURJKSA-N 2 0 445.568 -0.389 20 0 IBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001158890181 1073190155 /nfs/dbraw/zinc/19/01/55/1073190155.db2.gz BDGFECQJRRWFNO-INIZCTEOSA-N 2 0 431.541 -0.483 20 0 IBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158890412 1073190195 /nfs/dbraw/zinc/19/01/95/1073190195.db2.gz DGBHOUKOHKALJX-INIZCTEOSA-N 2 0 426.583 -0.396 20 0 IBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158890418 1073190110 /nfs/dbraw/zinc/19/01/10/1073190110.db2.gz DGBHOUKOHKALJX-MRXNPFEDSA-N 2 0 426.583 -0.396 20 0 IBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158890856 1073190093 /nfs/dbraw/zinc/19/00/93/1073190093.db2.gz OXEHZJYRKHIQAM-ROUUACIJSA-N 3 0 436.601 -0.363 20 0 IBADRP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158891381 1073190087 /nfs/dbraw/zinc/19/00/87/1073190087.db2.gz YEERQOGDJPRWDC-CRAIPNDOSA-N 2 0 433.557 -0.717 20 0 IBADRP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158891382 1073190211 /nfs/dbraw/zinc/19/02/11/1073190211.db2.gz YEERQOGDJPRWDC-MAUKXSAKSA-N 2 0 433.557 -0.717 20 0 IBADRP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158891383 1073190067 /nfs/dbraw/zinc/19/00/67/1073190067.db2.gz YEERQOGDJPRWDC-QAPCUYQASA-N 2 0 433.557 -0.717 20 0 IBADRP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158891384 1073190078 /nfs/dbraw/zinc/19/00/78/1073190078.db2.gz YEERQOGDJPRWDC-YJBOKZPZSA-N 2 0 433.557 -0.717 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902200 1073190140 /nfs/dbraw/zinc/19/01/40/1073190140.db2.gz IRBBTQLHHFIIND-IFIYUWNVSA-N 2 0 436.488 -0.828 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902202 1073190205 /nfs/dbraw/zinc/19/02/05/1073190205.db2.gz IRBBTQLHHFIIND-UYVPSMGWSA-N 2 0 436.488 -0.828 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902203 1073190593 /nfs/dbraw/zinc/19/05/93/1073190593.db2.gz IRBBTQLHHFIIND-WWVJOHPTSA-N 2 0 436.488 -0.828 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001158902204 1073190682 /nfs/dbraw/zinc/19/06/82/1073190682.db2.gz IRBBTQLHHFIIND-ZEEWZRGFSA-N 2 0 436.488 -0.828 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158935262 1073191099 /nfs/dbraw/zinc/19/10/99/1073191099.db2.gz PMUDNFOPEIUHQD-DQEVTTJGSA-N 2 0 425.549 -0.582 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158935263 1073191061 /nfs/dbraw/zinc/19/10/61/1073191061.db2.gz PMUDNFOPEIUHQD-OAOYMFHYSA-N 2 0 425.549 -0.582 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968312 1073193204 /nfs/dbraw/zinc/19/32/04/1073193204.db2.gz NISIZIJGYSLJBM-FJIDUMEYSA-N 2 0 431.541 -0.660 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001158981539 1073194027 /nfs/dbraw/zinc/19/40/27/1073194027.db2.gz AGPSGDXIJVSSSK-DVWBAYGPSA-N 2 0 444.580 -0.503 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001158981540 1073194232 /nfs/dbraw/zinc/19/42/32/1073194232.db2.gz AGPSGDXIJVSSSK-ZXNZYJFHSA-N 2 0 444.580 -0.503 20 0 IBADRP Cc1cnc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c(C[NH3+])c1 ZINC001158981843 1073194047 /nfs/dbraw/zinc/19/40/47/1073194047.db2.gz KZSYUZCTSCTEGB-AWEZNQCLSA-N 2 0 444.496 -0.173 20 0 IBADRP O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]2O1 ZINC001158982104 1073194217 /nfs/dbraw/zinc/19/42/17/1073194217.db2.gz FFNAAXVXYUPVCD-JCLURXGMSA-N 2 0 427.549 -0.055 20 0 IBADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990225 1073194520 /nfs/dbraw/zinc/19/45/20/1073194520.db2.gz BBLZYRKYAVFZQS-AEFFLSMTSA-N 2 0 434.541 -0.943 20 0 IBADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990226 1073194676 /nfs/dbraw/zinc/19/46/76/1073194676.db2.gz BBLZYRKYAVFZQS-FUHWJXTLSA-N 2 0 434.541 -0.943 20 0 IBADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990227 1073194495 /nfs/dbraw/zinc/19/44/95/1073194495.db2.gz BBLZYRKYAVFZQS-SJLPKXTDSA-N 2 0 434.541 -0.943 20 0 IBADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001158990228 1073194536 /nfs/dbraw/zinc/19/45/36/1073194536.db2.gz BBLZYRKYAVFZQS-WMZOPIPTSA-N 2 0 434.541 -0.943 20 0 IBADRP Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159048203 1073195908 /nfs/dbraw/zinc/19/59/08/1073195908.db2.gz PRXZKDCSFBKKRO-AEFFLSMTSA-N 2 0 428.541 -0.397 20 0 IBADRP Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159048204 1073195921 /nfs/dbraw/zinc/19/59/21/1073195921.db2.gz PRXZKDCSFBKKRO-FUHWJXTLSA-N 2 0 428.541 -0.397 20 0 IBADRP Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159048205 1073195972 /nfs/dbraw/zinc/19/59/72/1073195972.db2.gz PRXZKDCSFBKKRO-SJLPKXTDSA-N 2 0 428.541 -0.397 20 0 IBADRP Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159048206 1073196015 /nfs/dbraw/zinc/19/60/15/1073196015.db2.gz PRXZKDCSFBKKRO-WMZOPIPTSA-N 2 0 428.541 -0.397 20 0 IBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001159048960 1073195932 /nfs/dbraw/zinc/19/59/32/1073195932.db2.gz YXYCAGJKBYRSCV-ZSXDVEMLSA-N 2 0 437.585 -0.225 20 0 IBADRP 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 1073196303 /nfs/dbraw/zinc/19/63/03/1073196303.db2.gz PVYNVHOGENSKDW-BDXSIMOUSA-N 2 0 444.536 -0.411 20 0 IBADRP 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 1073196454 /nfs/dbraw/zinc/19/64/54/1073196454.db2.gz PVYNVHOGENSKDW-ZJPYXAASSA-N 2 0 444.536 -0.411 20 0 IBADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001159074054 1073196999 /nfs/dbraw/zinc/19/69/99/1073196999.db2.gz HWSIXWSFAPOIOK-KRWDZBQOSA-N 2 0 429.569 -0.433 20 0 IBADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001159074056 1073197032 /nfs/dbraw/zinc/19/70/32/1073197032.db2.gz HWSIXWSFAPOIOK-QGZVFWFLSA-N 2 0 429.569 -0.433 20 0 IBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078638 1073198289 /nfs/dbraw/zinc/19/82/89/1073198289.db2.gz XUBOZOALUXPXAI-LQWHRVPQSA-N 2 0 438.569 -0.306 20 0 IBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078639 1073198847 /nfs/dbraw/zinc/19/88/47/1073198847.db2.gz XUBOZOALUXPXAI-OPYAIIAOSA-N 2 0 438.569 -0.306 20 0 IBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078640 1073198899 /nfs/dbraw/zinc/19/88/99/1073198899.db2.gz XUBOZOALUXPXAI-UEXGIBASSA-N 2 0 438.569 -0.306 20 0 IBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078641 1073198915 /nfs/dbraw/zinc/19/89/15/1073198915.db2.gz XUBOZOALUXPXAI-WFXMLNOXSA-N 2 0 438.569 -0.306 20 0 IBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001159084405 1073198809 /nfs/dbraw/zinc/19/88/09/1073198809.db2.gz KDXXTCXCJVZWGB-XLAORIBOSA-N 2 0 431.541 -0.426 20 0 IBADRP CC(C)n1nc(CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c2nccs2)c2c1C[NH2+]CC2 ZINC001159108437 1073199406 /nfs/dbraw/zinc/19/94/06/1073199406.db2.gz CGYSQMHQHOWGGK-JSGCOSHPSA-N 2 0 435.554 -0.076 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)[C@H]2COCC[NH+]1CCCC1 ZINC001159115901 1073199473 /nfs/dbraw/zinc/19/94/73/1073199473.db2.gz FETLPWHRBQSTEF-APWZRJJASA-N 2 0 428.541 -0.031 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)[C@H]2COCC[NH+]1CCCC1 ZINC001159115902 1073199488 /nfs/dbraw/zinc/19/94/88/1073199488.db2.gz FETLPWHRBQSTEF-LPHOPBHVSA-N 2 0 428.541 -0.031 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159115903 1073199418 /nfs/dbraw/zinc/19/94/18/1073199418.db2.gz FETLPWHRBQSTEF-QFBILLFUSA-N 2 0 428.541 -0.031 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159115904 1073199461 /nfs/dbraw/zinc/19/94/61/1073199461.db2.gz FETLPWHRBQSTEF-VQIMIIECSA-N 2 0 428.541 -0.031 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159117763 1073199386 /nfs/dbraw/zinc/19/93/86/1073199386.db2.gz VMCKDJPMYGMZBB-AEFFLSMTSA-N 2 0 445.568 -0.531 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159117764 1073199456 /nfs/dbraw/zinc/19/94/56/1073199456.db2.gz VMCKDJPMYGMZBB-FUHWJXTLSA-N 2 0 445.568 -0.531 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159117765 1073199365 /nfs/dbraw/zinc/19/93/65/1073199365.db2.gz VMCKDJPMYGMZBB-SJLPKXTDSA-N 2 0 445.568 -0.531 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159117766 1073199480 /nfs/dbraw/zinc/19/94/80/1073199480.db2.gz VMCKDJPMYGMZBB-WMZOPIPTSA-N 2 0 445.568 -0.531 20 0 IBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123197 1073199390 /nfs/dbraw/zinc/19/93/90/1073199390.db2.gz DVFDABZTHTXDAY-HKUYNNGSSA-N 2 0 435.573 -0.013 20 0 IBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123198 1073199327 /nfs/dbraw/zinc/19/93/27/1073199327.db2.gz DVFDABZTHTXDAY-PKOBYXMFSA-N 2 0 435.573 -0.013 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123293 1073199943 /nfs/dbraw/zinc/19/99/43/1073199943.db2.gz GSXOJCAAJYHAAY-FUHWJXTLSA-N 2 0 435.573 -0.157 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123294 1073199889 /nfs/dbraw/zinc/19/98/89/1073199889.db2.gz GSXOJCAAJYHAAY-WMZOPIPTSA-N 2 0 435.573 -0.157 20 0 IBADRP Cn1nnc2c1CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123553 1073199992 /nfs/dbraw/zinc/19/99/92/1073199992.db2.gz JLPHIOCPDBTLDC-FUHWJXTLSA-N 2 0 433.557 -0.307 20 0 IBADRP Cn1nnc2c1CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]2COCC[NH+]1CCCC1 ZINC001159123555 1073199842 /nfs/dbraw/zinc/19/98/42/1073199842.db2.gz JLPHIOCPDBTLDC-WMZOPIPTSA-N 2 0 433.557 -0.307 20 0 IBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159123957 1073199974 /nfs/dbraw/zinc/19/99/74/1073199974.db2.gz LHCXWRKOUKTQOJ-DOTOQJQBSA-N 2 0 439.586 -0.493 20 0 IBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159123958 1073199952 /nfs/dbraw/zinc/19/99/52/1073199952.db2.gz LHCXWRKOUKTQOJ-RDJZCZTQSA-N 2 0 439.586 -0.493 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124678 1073200230 /nfs/dbraw/zinc/20/02/30/1073200230.db2.gz PPWLZDDNHGEURP-IEZWGBDMSA-N 2 0 435.573 -0.157 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124679 1073200473 /nfs/dbraw/zinc/20/04/73/1073200473.db2.gz PPWLZDDNHGEURP-WDYCEAGBSA-N 2 0 435.573 -0.157 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001159124684 1073200281 /nfs/dbraw/zinc/20/02/81/1073200281.db2.gz PYNZBALJGVCCMH-HKUYNNGSSA-N 3 0 434.589 -0.896 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124685 1073200484 /nfs/dbraw/zinc/20/04/84/1073200484.db2.gz PYNZBALJGVCCMH-IEBWSBKVSA-N 3 0 434.589 -0.896 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001159124686 1073200403 /nfs/dbraw/zinc/20/04/03/1073200403.db2.gz PYNZBALJGVCCMH-MJGOQNOKSA-N 3 0 434.589 -0.896 20 0 IBADRP Cn1nnc2c1CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124687 1073200257 /nfs/dbraw/zinc/20/02/57/1073200257.db2.gz PYNZBALJGVCCMH-PKOBYXMFSA-N 3 0 434.589 -0.896 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124908 1073200444 /nfs/dbraw/zinc/20/04/44/1073200444.db2.gz RWBVSKJLTSTNBP-JFIYKMOQSA-N 2 0 434.541 -0.248 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124909 1073200437 /nfs/dbraw/zinc/20/04/37/1073200437.db2.gz RWBVSKJLTSTNBP-NUJGCVRESA-N 2 0 434.541 -0.248 20 0 IBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159125096 1073200427 /nfs/dbraw/zinc/20/04/27/1073200427.db2.gz UDUOBMQNIYBYOE-FUHWJXTLSA-N 2 0 435.573 -0.157 20 0 IBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159125097 1073200496 /nfs/dbraw/zinc/20/04/96/1073200496.db2.gz UDUOBMQNIYBYOE-WMZOPIPTSA-N 2 0 435.573 -0.157 20 0 IBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159125340 1073200887 /nfs/dbraw/zinc/20/08/87/1073200887.db2.gz UZGLYXRQDUDBKL-HKUYNNGSSA-N 2 0 435.573 -0.013 20 0 IBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159125341 1073200863 /nfs/dbraw/zinc/20/08/63/1073200863.db2.gz UZGLYXRQDUDBKL-PKOBYXMFSA-N 2 0 435.573 -0.013 20 0 IBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001159133103 1073201258 /nfs/dbraw/zinc/20/12/58/1073201258.db2.gz GYVBZEXSAKZYFB-NEWSRXKRSA-N 2 0 444.536 -0.844 20 0 IBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001159133105 1073201217 /nfs/dbraw/zinc/20/12/17/1073201217.db2.gz GYVBZEXSAKZYFB-WDSOQIARSA-N 2 0 444.536 -0.844 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159135393 1073201405 /nfs/dbraw/zinc/20/14/05/1073201405.db2.gz VUHAVWDCRUPCPE-KANFNMMFSA-N 2 0 428.537 -0.289 20 0 IBADRP 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 1073201333 /nfs/dbraw/zinc/20/13/33/1073201333.db2.gz HOEYFCYWBJBLTH-MKXGPGLRSA-N 2 0 438.569 -0.308 20 0 IBADRP 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 1073201435 /nfs/dbraw/zinc/20/14/35/1073201435.db2.gz HOEYFCYWBJBLTH-NCXUSEDFSA-N 2 0 438.569 -0.308 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157757 1073201999 /nfs/dbraw/zinc/20/19/99/1073201999.db2.gz IJGOQSDDLHDYIN-WMZOPIPTSA-N 2 0 445.568 -0.682 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159157925 1073202010 /nfs/dbraw/zinc/20/20/10/1073202010.db2.gz KEBLNSNHALGRON-SQNIBIBYSA-N 2 0 439.586 -0.800 20 0 IBADRP 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 1073201876 /nfs/dbraw/zinc/20/18/76/1073201876.db2.gz XEQBYGXQOBBIHB-HCXYKTFWSA-N 2 0 448.593 -0.244 20 0 IBADRP 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 1073201800 /nfs/dbraw/zinc/20/18/00/1073201800.db2.gz XEQBYGXQOBBIHB-XWSJACJDSA-N 2 0 448.593 -0.244 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160102 1073201845 /nfs/dbraw/zinc/20/18/45/1073201845.db2.gz DLWDQMCGAUOQRW-BBWFWOEESA-N 2 0 437.585 -0.021 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160103 1073201761 /nfs/dbraw/zinc/20/17/61/1073201761.db2.gz DLWDQMCGAUOQRW-ULQDDVLXSA-N 2 0 437.585 -0.021 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161514 1073201942 /nfs/dbraw/zinc/20/19/42/1073201942.db2.gz ZNSPEGOYOUSFHG-KRWDZBQOSA-N 2 0 425.541 -0.199 20 0 IBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161515 1073201958 /nfs/dbraw/zinc/20/19/58/1073201958.db2.gz ZNSPEGOYOUSFHG-QGZVFWFLSA-N 2 0 425.541 -0.199 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159166234 1073202438 /nfs/dbraw/zinc/20/24/38/1073202438.db2.gz JPMQZHYNQAULQE-HZEGPAAWSA-N 3 0 430.601 -0.270 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159166235 1073202489 /nfs/dbraw/zinc/20/24/89/1073202489.db2.gz JPMQZHYNQAULQE-PMXSJFBMSA-N 3 0 430.601 -0.270 20 0 IBADRP CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CCC2 ZINC001159173020 1073202340 /nfs/dbraw/zinc/20/23/40/1073202340.db2.gz NWSLEICAWGYPIU-GOSISDBHSA-N 2 0 447.584 -0.612 20 0 IBADRP CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CCC2 ZINC001159173031 1073202410 /nfs/dbraw/zinc/20/24/10/1073202410.db2.gz NWSLEICAWGYPIU-SFHVURJKSA-N 2 0 447.584 -0.612 20 0 IBADRP CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCC2 ZINC001159173304 1073202458 /nfs/dbraw/zinc/20/24/58/1073202458.db2.gz SFYXLNJLLMWAGP-OPAMFIHVSA-N 2 0 430.553 -0.163 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159183201 1073203701 /nfs/dbraw/zinc/20/37/01/1073203701.db2.gz ZTMYZVLQAKWRPJ-JXFKEZNVSA-N 2 0 443.614 -0.564 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159183203 1073203768 /nfs/dbraw/zinc/20/37/68/1073203768.db2.gz ZTMYZVLQAKWRPJ-OXJNMPFZSA-N 2 0 443.614 -0.564 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159189143 1073203752 /nfs/dbraw/zinc/20/37/52/1073203752.db2.gz BBKNPUROMJTFFA-KRWDZBQOSA-N 3 0 434.541 -0.697 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159189145 1073203817 /nfs/dbraw/zinc/20/38/17/1073203817.db2.gz BBKNPUROMJTFFA-QGZVFWFLSA-N 3 0 434.541 -0.697 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1Cn3ccnc3C13CC[NH2+]CC3)CC2 ZINC001159190390 1073204125 /nfs/dbraw/zinc/20/41/25/1073204125.db2.gz JLVVSZLPPVVZQT-INIZCTEOSA-N 2 0 441.536 -0.002 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1Cn3ccnc3C13CC[NH2+]CC3)CC2 ZINC001159190397 1073204143 /nfs/dbraw/zinc/20/41/43/1073204143.db2.gz JLVVSZLPPVVZQT-MRXNPFEDSA-N 2 0 441.536 -0.002 20 0 IBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC3)C1=O ZINC001159190494 1073204661 /nfs/dbraw/zinc/20/46/61/1073204661.db2.gz KQRJNHWIBNWLLN-HNAYVOBHSA-N 2 0 429.587 -0.825 20 0 IBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC3)C1=O ZINC001159190518 1073204617 /nfs/dbraw/zinc/20/46/17/1073204617.db2.gz KQRJNHWIBNWLLN-KXBFYZLASA-N 2 0 429.587 -0.825 20 0 IBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC3)C1=O ZINC001159190979 1073204593 /nfs/dbraw/zinc/20/45/93/1073204593.db2.gz PFJFYLCWRSXYHY-JXFKEZNVSA-N 2 0 443.614 -0.435 20 0 IBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC3)C1=O ZINC001159190980 1073204660 /nfs/dbraw/zinc/20/46/60/1073204660.db2.gz PFJFYLCWRSXYHY-OXJNMPFZSA-N 2 0 443.614 -0.435 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])CC2 ZINC001159191018 1073204608 /nfs/dbraw/zinc/20/46/08/1073204608.db2.gz QDFQPOWQRLSQPT-KRWDZBQOSA-N 2 0 442.520 -0.463 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)CC2 ZINC001159191155 1073205134 /nfs/dbraw/zinc/20/51/34/1073205134.db2.gz QUYBZOAESQVFDZ-HNNXBMFYSA-N 2 0 442.524 -0.607 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)CC2 ZINC001159191156 1073205089 /nfs/dbraw/zinc/20/50/89/1073205089.db2.gz QUYBZOAESQVFDZ-OAHLLOKOSA-N 2 0 442.524 -0.607 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)CC2 ZINC001159191429 1073205507 /nfs/dbraw/zinc/20/55/07/1073205507.db2.gz GMLLEXVFRBOIRM-UHFFFAOYSA-N 2 0 428.497 -0.636 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cccnc1N1CC[NH2+]CC1)CC2 ZINC001159192813 1073205452 /nfs/dbraw/zinc/20/54/52/1073205452.db2.gz XCZWMRDKUYFGDZ-UHFFFAOYSA-N 2 0 427.509 -0.031 20 0 IBADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224005 1073207112 /nfs/dbraw/zinc/20/71/12/1073207112.db2.gz FHRRWCYAANQHJQ-AEFFLSMTSA-N 2 0 444.540 -0.511 20 0 IBADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224006 1073207239 /nfs/dbraw/zinc/20/72/39/1073207239.db2.gz FHRRWCYAANQHJQ-FUHWJXTLSA-N 2 0 444.540 -0.511 20 0 IBADRP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224009 1073207068 /nfs/dbraw/zinc/20/70/68/1073207068.db2.gz FHRRWCYAANQHJQ-SJLPKXTDSA-N 2 0 444.540 -0.511 20 0 IBADRP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159224010 1073207006 /nfs/dbraw/zinc/20/70/06/1073207006.db2.gz FHRRWCYAANQHJQ-WMZOPIPTSA-N 2 0 444.540 -0.511 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236442 1073207507 /nfs/dbraw/zinc/20/75/07/1073207507.db2.gz PWKAQAZSHIERFR-KRWDZBQOSA-N 2 0 448.535 -0.105 20 0 IBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236443 1073207561 /nfs/dbraw/zinc/20/75/61/1073207561.db2.gz PWKAQAZSHIERFR-QGZVFWFLSA-N 2 0 448.535 -0.105 20 0 IBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159237342 1073207997 /nfs/dbraw/zinc/20/79/97/1073207997.db2.gz ZBYPLKFRNRMXIJ-INIZCTEOSA-N 2 0 430.534 -0.266 20 0 IBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159237347 1073208162 /nfs/dbraw/zinc/20/81/62/1073208162.db2.gz ZBYPLKFRNRMXIJ-MRXNPFEDSA-N 2 0 430.534 -0.266 20 0 IBADRP 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 1073207874 /nfs/dbraw/zinc/20/78/74/1073207874.db2.gz VHZQAAFENMWZDM-KVPLUYHFSA-N 2 0 445.564 -0.034 20 0 IBADRP 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 1073207924 /nfs/dbraw/zinc/20/79/24/1073207924.db2.gz VHZQAAFENMWZDM-ONCXSQPRSA-N 2 0 445.564 -0.034 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159271180 1073208073 /nfs/dbraw/zinc/20/80/73/1073208073.db2.gz ALHHCSDUTCOCIE-FJIDUMEYSA-N 2 0 431.541 -0.660 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCn3c(CNC(=O)c4ccno4)cnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159272754 1073208674 /nfs/dbraw/zinc/20/86/74/1073208674.db2.gz OBUGPPFSWZVULY-KRWDZBQOSA-N 2 0 443.508 -0.404 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCn3c(CNC(=O)c4ccno4)cnc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159272755 1073208714 /nfs/dbraw/zinc/20/87/14/1073208714.db2.gz OBUGPPFSWZVULY-QGZVFWFLSA-N 2 0 443.508 -0.404 20 0 IBADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]32)nn1 ZINC001159298184 1073209088 /nfs/dbraw/zinc/20/90/88/1073209088.db2.gz QNPAOUCWMHYUBU-OKYOBFRVSA-N 2 0 445.568 -0.352 20 0 IBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159316419 1073209525 /nfs/dbraw/zinc/20/95/25/1073209525.db2.gz HEWNBTGSZIZGES-INDMIFKZSA-N 2 0 434.562 -0.094 20 0 IBADRP CO[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159316420 1073209313 /nfs/dbraw/zinc/20/93/13/1073209313.db2.gz HEWNBTGSZIZGES-WJFTUGDTSA-N 2 0 434.562 -0.094 20 0 IBADRP Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159348855 1073209858 /nfs/dbraw/zinc/20/98/58/1073209858.db2.gz DUSDAUSQVDWCBY-BREDGVMVSA-N 2 0 431.537 -0.053 20 0 IBADRP Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159348859 1073209933 /nfs/dbraw/zinc/20/99/33/1073209933.db2.gz DUSDAUSQVDWCBY-CTWQGKMFSA-N 2 0 431.537 -0.053 20 0 IBADRP Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159348861 1073210023 /nfs/dbraw/zinc/21/00/23/1073210023.db2.gz DUSDAUSQVDWCBY-FCQWJQKHSA-N 2 0 431.537 -0.053 20 0 IBADRP Cc1cccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159348863 1073209920 /nfs/dbraw/zinc/20/99/20/1073209920.db2.gz DUSDAUSQVDWCBY-VXCZRNDOSA-N 2 0 431.537 -0.053 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(S(N)(=O)=O)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001159348982 1073209891 /nfs/dbraw/zinc/20/98/91/1073209891.db2.gz GSHMKRVSYVHXRW-AVVLXZEZSA-N 2 0 446.574 -0.603 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(S(N)(=O)=O)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159348985 1073209938 /nfs/dbraw/zinc/20/99/38/1073209938.db2.gz GSHMKRVSYVHXRW-HLNSEHPISA-N 2 0 446.574 -0.603 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(S(N)(=O)=O)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001159348987 1073209983 /nfs/dbraw/zinc/20/99/83/1073209983.db2.gz GSHMKRVSYVHXRW-NTLKJNNPSA-N 2 0 446.574 -0.603 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(S(N)(=O)=O)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001159348988 1073209915 /nfs/dbraw/zinc/20/99/15/1073209915.db2.gz GSHMKRVSYVHXRW-UCQBOQSVSA-N 2 0 446.574 -0.603 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001159357756 1073210574 /nfs/dbraw/zinc/21/05/74/1073210574.db2.gz CRTISKXFZQJFKN-FFGOWVMKSA-N 2 0 430.553 -0.432 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001159357761 1073210430 /nfs/dbraw/zinc/21/04/30/1073210430.db2.gz CRTISKXFZQJFKN-NBYUQASBSA-N 2 0 430.553 -0.432 20 0 IBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393339 1073210892 /nfs/dbraw/zinc/21/08/92/1073210892.db2.gz BWHPMDJURATUDW-OGCZYDBJSA-N 2 0 447.561 -0.415 20 0 IBADRP COC(=O)CC[C@@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393368 1073211035 /nfs/dbraw/zinc/21/10/35/1073211035.db2.gz DEQQQUJMWNQMOH-RRFJBIMHSA-N 2 0 437.522 -0.902 20 0 IBADRP COC(=O)CC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393369 1073210841 /nfs/dbraw/zinc/21/08/41/1073210841.db2.gz DEQQQUJMWNQMOH-SOUVJXGZSA-N 2 0 437.522 -0.902 20 0 IBADRP [NH3+]Cc1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cn1 ZINC001159393633 1073211068 /nfs/dbraw/zinc/21/10/68/1073211068.db2.gz GKZFQGMDYAJRBG-DLBZAZTESA-N 2 0 428.518 -0.280 20 0 IBADRP [NH3+][C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1CCOCC1 ZINC001159393635 1073210861 /nfs/dbraw/zinc/21/08/61/1073210861.db2.gz GNLPBVQDESDGGJ-BBWFWOEESA-N 2 0 435.550 -0.428 20 0 IBADRP O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393660 1073211400 /nfs/dbraw/zinc/21/14/00/1073211400.db2.gz HFFMIAPEKSXMDR-YYWYGQEZSA-N 2 0 447.561 -0.273 20 0 IBADRP O=C([C@H]1CCSC12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393936 1073211495 /nfs/dbraw/zinc/21/14/95/1073211495.db2.gz JOCNDLMBTMINCI-ARFHVFGLSA-N 2 0 449.602 -0.087 20 0 IBADRP O=C([C@@H]1CCSC12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393937 1073211369 /nfs/dbraw/zinc/21/13/69/1073211369.db2.gz JOCNDLMBTMINCI-HRCADAONSA-N 2 0 449.602 -0.087 20 0 IBADRP [NH3+][C@@H](Cn1cccn1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393940 1073211428 /nfs/dbraw/zinc/21/14/28/1073211428.db2.gz JQKPMKSICGENGW-HRCADAONSA-N 2 0 431.522 -0.958 20 0 IBADRP C[NH2+][C@@H]1CCCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159393952 1073211469 /nfs/dbraw/zinc/21/14/69/1073211469.db2.gz JYARBSFRXNCABG-FGTMMUONSA-N 2 0 448.593 -0.498 20 0 IBADRP C[NH2+][C@H]1CCCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159393953 1073211452 /nfs/dbraw/zinc/21/14/52/1073211452.db2.gz JYARBSFRXNCABG-OKZBNKHCSA-N 2 0 448.593 -0.498 20 0 IBADRP NC(=[NH2+])NCCCCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393983 1073211326 /nfs/dbraw/zinc/21/13/26/1073211326.db2.gz LAIYHQLCXYPTIH-LSDHHAIUSA-N 2 0 435.554 -0.529 20 0 IBADRP [NH3+]Cc1ccnc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1 ZINC001159393988 1073211293 /nfs/dbraw/zinc/21/12/93/1073211293.db2.gz LCHNGYQDYCPVFY-DOTOQJQBSA-N 2 0 428.518 -0.280 20 0 IBADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159393996 1073211375 /nfs/dbraw/zinc/21/13/75/1073211375.db2.gz LFHIQHDNWWOARF-KYFSNAEOSA-N 3 0 446.577 -0.983 20 0 IBADRP O=C(COC1CC[NH2+]CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394233 1073211421 /nfs/dbraw/zinc/21/14/21/1073211421.db2.gz LYBXDNQDNHVTGR-DLBZAZTESA-N 2 0 435.550 -0.414 20 0 IBADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394445 1073211391 /nfs/dbraw/zinc/21/13/91/1073211391.db2.gz NQPLUTHELDWADD-OGCZYDBJSA-N 2 0 447.561 -0.415 20 0 IBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394448 1073211476 /nfs/dbraw/zinc/21/14/76/1073211476.db2.gz NQTNWKYETUVYRN-LTIDMASMSA-N 2 0 435.550 -0.415 20 0 IBADRP CO[C@H]1CC[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394451 1073211315 /nfs/dbraw/zinc/21/13/15/1073211315.db2.gz NQTNWKYETUVYRN-LUKYLMHMSA-N 2 0 435.550 -0.415 20 0 IBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394454 1073211331 /nfs/dbraw/zinc/21/13/31/1073211331.db2.gz NQTNWKYETUVYRN-MWDXBVQZSA-N 2 0 435.550 -0.415 20 0 IBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394457 1073211845 /nfs/dbraw/zinc/21/18/45/1073211845.db2.gz NQTNWKYETUVYRN-YYIAUSFCSA-N 2 0 435.550 -0.415 20 0 IBADRP O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394586 1073212015 /nfs/dbraw/zinc/21/20/15/1073212015.db2.gz OGYLMMQISLLZQQ-NBQZKYEYSA-N 2 0 446.533 -0.674 20 0 IBADRP O=C(C1=NO[C@]2(CC[NH2+]C2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394588 1073212035 /nfs/dbraw/zinc/21/20/35/1073212035.db2.gz OGYLMMQISLLZQQ-YYFZDKIDSA-N 2 0 446.533 -0.674 20 0 IBADRP [NH3+][C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1CCC(O)CC1 ZINC001159394677 1073211974 /nfs/dbraw/zinc/21/19/74/1073211974.db2.gz PMOSFPONWPMSBD-IFUGLTITSA-N 2 0 449.577 -0.304 20 0 IBADRP O=C(c1n[nH]c2c1CC[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394736 1073212018 /nfs/dbraw/zinc/21/20/18/1073212018.db2.gz QAQGJUGCCWJUTA-GOEBONIOSA-N 2 0 443.533 -0.765 20 0 IBADRP O=C([C@H]1CCC2(C[NH2+]C2)O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394742 1073211804 /nfs/dbraw/zinc/21/18/04/1073211804.db2.gz QBMWNWJMJDYTDO-ARFHVFGLSA-N 2 0 433.534 -0.661 20 0 IBADRP O=C([C@@H]1CCC2(C[NH2+]C2)O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394744 1073211809 /nfs/dbraw/zinc/21/18/09/1073211809.db2.gz QBMWNWJMJDYTDO-HRCADAONSA-N 2 0 433.534 -0.661 20 0 IBADRP O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394754 1073211837 /nfs/dbraw/zinc/21/18/37/1073211837.db2.gz QIXQEPHINUBXAE-ZNFSNMQZSA-N 2 0 433.534 -0.805 20 0 IBADRP O=C(CNC1CC[NH2+]CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394841 1073211762 /nfs/dbraw/zinc/21/17/62/1073211762.db2.gz RHHAKJSCHSGYDK-DLBZAZTESA-N 2 0 434.566 -0.841 20 0 IBADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394846 1073211968 /nfs/dbraw/zinc/21/19/68/1073211968.db2.gz RTEVHXDKAWNADP-DRRXZNNHSA-N 2 0 433.534 -0.948 20 0 IBADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394862 1073211931 /nfs/dbraw/zinc/21/19/31/1073211931.db2.gz SDPYOFUKPLWCKJ-YESZJQIVSA-N 2 0 445.549 -0.879 20 0 IBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395028 1073211987 /nfs/dbraw/zinc/21/19/87/1073211987.db2.gz ULOWTCQXBJUZDF-ARFHVFGLSA-N 2 0 431.522 -0.889 20 0 IBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395032 1073211888 /nfs/dbraw/zinc/21/18/88/1073211888.db2.gz ULOWTCQXBJUZDF-HRCADAONSA-N 2 0 431.522 -0.889 20 0 IBADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001159395194 1073212318 /nfs/dbraw/zinc/21/23/18/1073212318.db2.gz VCJJGVDUVUGASC-MFCZKXCZSA-N 2 0 433.534 -0.946 20 0 IBADRP C[C@@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]C[C@@H]1O ZINC001159395209 1073212391 /nfs/dbraw/zinc/21/23/91/1073212391.db2.gz VGYAYVRBZBPNMK-KSVNGYGVSA-N 2 0 435.550 -0.822 20 0 IBADRP C[C@@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]C[C@H]1O ZINC001159395213 1073212386 /nfs/dbraw/zinc/21/23/86/1073212386.db2.gz VGYAYVRBZBPNMK-QCBUCWTNSA-N 2 0 435.550 -0.822 20 0 IBADRP C[C@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]C[C@@H]1O ZINC001159395215 1073212300 /nfs/dbraw/zinc/21/23/00/1073212300.db2.gz VGYAYVRBZBPNMK-QOIOWGMHSA-N 2 0 435.550 -0.822 20 0 IBADRP C[C@]1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC[NH2+]C[C@H]1O ZINC001159395218 1073212327 /nfs/dbraw/zinc/21/23/27/1073212327.db2.gz VGYAYVRBZBPNMK-ROYATCLZSA-N 2 0 435.550 -0.822 20 0 IBADRP CN(CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@H]1CCC[NH2+]C1 ZINC001159395252 1073212396 /nfs/dbraw/zinc/21/23/96/1073212396.db2.gz VRMZLWYDSRSBAB-FGTMMUONSA-N 2 0 448.593 -0.498 20 0 IBADRP CN(CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@H]1CCC[NH2+]C1 ZINC001159395254 1073212364 /nfs/dbraw/zinc/21/23/64/1073212364.db2.gz VRMZLWYDSRSBAB-OKZBNKHCSA-N 2 0 448.593 -0.498 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395301 1073212310 /nfs/dbraw/zinc/21/23/10/1073212310.db2.gz WNNKUYOQHHGEPZ-YESZJQIVSA-N 3 0 436.582 -0.336 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395366 1073212291 /nfs/dbraw/zinc/21/22/91/1073212291.db2.gz XCIGNBUOUGZQOA-YESZJQIVSA-N 3 0 436.582 -0.465 20 0 IBADRP [NH3+]C1(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCOCC1 ZINC001159395669 1073212412 /nfs/dbraw/zinc/21/24/12/1073212412.db2.gz XSLYZTLJPMNCOH-JKSUJKDBSA-N 2 0 435.550 -0.284 20 0 IBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395689 1073212437 /nfs/dbraw/zinc/21/24/37/1073212437.db2.gz XXYUEDUVXZSRNA-KTQBOKQISA-N 2 0 447.561 -0.415 20 0 IBADRP O=C(C[C@]1(O)CCC[NH2+]C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395690 1073212283 /nfs/dbraw/zinc/21/22/83/1073212283.db2.gz XYUNUCNSMARPGK-RZQQEMMASA-N 2 0 435.550 -0.678 20 0 IBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395691 1073212432 /nfs/dbraw/zinc/21/24/32/1073212432.db2.gz XYUNUCNSMARPGK-YRNRMSPPSA-N 2 0 435.550 -0.678 20 0 IBADRP [NH3+][C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1CC[NH2+]CC1 ZINC001159395795 1073212420 /nfs/dbraw/zinc/21/24/20/1073212420.db2.gz ZUPNIPNLHLWSRL-BBWFWOEESA-N 3 0 434.566 -0.855 20 0 IBADRP [NH3+][C@@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C1CC[NH2+]CC1 ZINC001159395797 1073212907 /nfs/dbraw/zinc/21/29/07/1073212907.db2.gz ZUPNIPNLHLWSRL-GVDBMIGSSA-N 3 0 434.566 -0.855 20 0 IBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402598 1073212660 /nfs/dbraw/zinc/21/26/60/1073212660.db2.gz HYTXDCLUKNHKGH-WNRNVDISSA-N 2 0 449.577 -0.152 20 0 IBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402602 1073212834 /nfs/dbraw/zinc/21/28/34/1073212834.db2.gz HYTXDCLUKNHKGH-XLAORIBOSA-N 2 0 449.577 -0.152 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402793 1073212890 /nfs/dbraw/zinc/21/28/90/1073212890.db2.gz KIADZZNMDIPHJB-LUKYLMHMSA-N 2 0 434.541 -0.307 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403066 1073212881 /nfs/dbraw/zinc/21/28/81/1073212881.db2.gz MAHVDDBNPFCFIZ-LUKYLMHMSA-N 2 0 439.524 -0.628 20 0 IBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403067 1073213179 /nfs/dbraw/zinc/21/31/79/1073213179.db2.gz MAHVDDBNPFCFIZ-MWDXBVQZSA-N 2 0 439.524 -0.628 20 0 IBADRP CCN1C[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403391 1073213241 /nfs/dbraw/zinc/21/32/41/1073213241.db2.gz JNARIFSRDOKTFC-VSZNYVQBSA-N 2 0 443.614 -0.294 20 0 IBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)COC1(C)C ZINC001159403596 1073213268 /nfs/dbraw/zinc/21/32/68/1073213268.db2.gz PWRKODOJBYNQGF-QUSNUVHPSA-N 2 0 432.525 -0.255 20 0 IBADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404322 1073213380 /nfs/dbraw/zinc/21/33/80/1073213380.db2.gz YYMVUETUCKSDCF-WNRNVDISSA-N 2 0 438.536 -0.023 20 0 IBADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404323 1073213304 /nfs/dbraw/zinc/21/33/04/1073213304.db2.gz YYMVUETUCKSDCF-XLAORIBOSA-N 2 0 438.536 -0.023 20 0 IBADRP 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 1073213359 /nfs/dbraw/zinc/21/33/59/1073213359.db2.gz ZWGQTCWKDJEOOF-INDMIFKZSA-N 3 0 430.553 -0.113 20 0 IBADRP 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 1073213326 /nfs/dbraw/zinc/21/33/26/1073213326.db2.gz ZWGQTCWKDJEOOF-OKYOBFRVSA-N 3 0 430.553 -0.113 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001159411830 1073213745 /nfs/dbraw/zinc/21/37/45/1073213745.db2.gz KIAUKTUZYZSNEY-YJBOKZPZSA-N 2 0 430.553 -0.008 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC3)CC1 ZINC001159417175 1073213725 /nfs/dbraw/zinc/21/37/25/1073213725.db2.gz LPPTZOWUXHBKDM-OALUTQOASA-N 2 0 429.569 -0.284 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417176 1073213697 /nfs/dbraw/zinc/21/36/97/1073213697.db2.gz LQONEWJQCPIGQO-IBGZPJMESA-N 3 0 431.585 -0.575 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)CC1 ZINC001159417177 1073213668 /nfs/dbraw/zinc/21/36/68/1073213668.db2.gz LQONEWJQCPIGQO-LJQANCHMSA-N 3 0 431.585 -0.575 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)CC3)CC1 ZINC001159417472 1073213571 /nfs/dbraw/zinc/21/35/71/1073213571.db2.gz QTKQRFNLERMVFG-IBGZPJMESA-N 2 0 425.537 -0.358 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2Cn4cnnc4C24CC[NH2+]CC4)CC3)CC1 ZINC001159417580 1073213592 /nfs/dbraw/zinc/21/35/92/1073213592.db2.gz VTOHHHNFTIJRLN-GOSISDBHSA-N 2 0 439.568 -0.485 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2Cn4cnnc4C24CC[NH2+]CC4)CC3)CC1 ZINC001159417581 1073213809 /nfs/dbraw/zinc/21/38/09/1073213809.db2.gz VTOHHHNFTIJRLN-SFHVURJKSA-N 2 0 439.568 -0.485 20 0 IBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)COC1(C)C ZINC001159424098 1073213636 /nfs/dbraw/zinc/21/36/36/1073213636.db2.gz AQYOXKORQWWXQN-RDJZCZTQSA-N 2 0 433.557 -0.717 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CC3)CC1 ZINC001159424262 1073213787 /nfs/dbraw/zinc/21/37/87/1073213787.db2.gz HQQXPUNYYGVRMT-FQEVSTJZSA-N 2 0 439.564 -0.341 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159424425 1073213611 /nfs/dbraw/zinc/21/36/11/1073213611.db2.gz AXEJABOBHGZGOS-FXAWDEMLSA-N 2 0 437.566 -0.541 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159424427 1073214166 /nfs/dbraw/zinc/21/41/66/1073214166.db2.gz AXEJABOBHGZGOS-PXNSSMCTSA-N 2 0 437.566 -0.541 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159424429 1073214340 /nfs/dbraw/zinc/21/43/40/1073214340.db2.gz AXEJABOBHGZGOS-XLIONFOSSA-N 2 0 437.566 -0.541 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159424432 1073214361 /nfs/dbraw/zinc/21/43/61/1073214361.db2.gz AXEJABOBHGZGOS-YLJYHZDGSA-N 2 0 437.566 -0.541 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2cnc(N4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001159426000 1073214191 /nfs/dbraw/zinc/21/41/91/1073214191.db2.gz UTDFPQTUVCOUFT-UHFFFAOYSA-N 2 0 425.541 -0.514 20 0 IBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC3)CC1 ZINC001159426705 1073214273 /nfs/dbraw/zinc/21/42/73/1073214273.db2.gz ZLZJCLUGMPOFMI-FQEVSTJZSA-N 2 0 439.564 -0.341 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1 ZINC001159436391 1073214827 /nfs/dbraw/zinc/21/48/27/1073214827.db2.gz PQYZUAPKACGGMO-FQELHTAISA-N 2 0 435.594 -0.368 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1 ZINC001159436392 1073214615 /nfs/dbraw/zinc/21/46/15/1073214615.db2.gz PQYZUAPKACGGMO-FYINFDKHSA-N 2 0 435.594 -0.368 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001159444028 1073214648 /nfs/dbraw/zinc/21/46/48/1073214648.db2.gz LUFZRSONVCHNTM-GEALJGNFSA-N 2 0 433.553 -0.100 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@@H](CC(=O)NCc3ccco3)OC[C@H]2C1 ZINC001159444029 1073214634 /nfs/dbraw/zinc/21/46/34/1073214634.db2.gz LUFZRSONVCHNTM-HUYLIWGRSA-N 2 0 433.553 -0.100 20 0 IBADRP Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CN4CCC([NH3+])CC4)CC[C@H]3C2=O)n1 ZINC001159451790 1073215689 /nfs/dbraw/zinc/21/56/89/1073215689.db2.gz XHCWXRYLQJMTOC-HKBOAZHASA-N 2 0 444.580 -0.284 20 0 IBADRP Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@H]([NH3+])CN4CCC([NH3+])CC4)CC[C@H]3C2=O)n1 ZINC001159451791 1073215758 /nfs/dbraw/zinc/21/57/58/1073215758.db2.gz XHCWXRYLQJMTOC-NJYVYQBISA-N 2 0 444.580 -0.284 20 0 IBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459132 1073217599 /nfs/dbraw/zinc/21/75/99/1073217599.db2.gz WBOFYBKEQSCMPI-XWTMOSNGSA-N 2 0 444.598 -0.834 20 0 IBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459133 1073217765 /nfs/dbraw/zinc/21/77/65/1073217765.db2.gz WBOFYBKEQSCMPI-ZJPYXAASSA-N 2 0 444.598 -0.834 20 0 IBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2 ZINC001159481006 1073218228 /nfs/dbraw/zinc/21/82/28/1073218228.db2.gz GZHZVNYCJXFEQN-INIZCTEOSA-N 2 0 437.566 -0.408 20 0 IBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2 ZINC001159481009 1073218136 /nfs/dbraw/zinc/21/81/36/1073218136.db2.gz GZHZVNYCJXFEQN-MRXNPFEDSA-N 2 0 437.566 -0.408 20 0 IBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCC2 ZINC001159481362 1073218517 /nfs/dbraw/zinc/21/85/17/1073218517.db2.gz MHTSUDICFPWYQQ-UHFFFAOYSA-N 2 0 428.559 -0.964 20 0 IBADRP 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 1073218615 /nfs/dbraw/zinc/21/86/15/1073218615.db2.gz OQFKTJMWMZNOHM-QYUDBREXSA-N 2 0 449.596 -0.352 20 0 IBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CCC2 ZINC001159481489 1073218644 /nfs/dbraw/zinc/21/86/44/1073218644.db2.gz RGUYQLXBPZJDRW-KRWDZBQOSA-N 2 0 430.553 -0.068 20 0 IBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CCC2 ZINC001159481490 1073218414 /nfs/dbraw/zinc/21/84/14/1073218414.db2.gz RGUYQLXBPZJDRW-QGZVFWFLSA-N 2 0 430.553 -0.068 20 0 IBADRP 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 1073219441 /nfs/dbraw/zinc/21/94/41/1073219441.db2.gz RMZUFSZHFCOGJH-DYESRHJHSA-N 2 0 435.569 -0.632 20 0 IBADRP 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 1073219363 /nfs/dbraw/zinc/21/93/63/1073219363.db2.gz RMZUFSZHFCOGJH-LAUBAEHRSA-N 2 0 435.569 -0.632 20 0 IBADRP 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 1073219307 /nfs/dbraw/zinc/21/93/07/1073219307.db2.gz RMZUFSZHFCOGJH-UTKZUKDTSA-N 2 0 435.569 -0.632 20 0 IBADRP 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 1073219530 /nfs/dbraw/zinc/21/95/30/1073219530.db2.gz RMZUFSZHFCOGJH-UWJYYQICSA-N 2 0 435.569 -0.632 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493820 1073219482 /nfs/dbraw/zinc/21/94/82/1073219482.db2.gz RISXHYBYRDFTFG-HKUYNNGSSA-N 2 0 430.553 -0.083 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493821 1073219332 /nfs/dbraw/zinc/21/93/32/1073219332.db2.gz RISXHYBYRDFTFG-IEBWSBKVSA-N 2 0 430.553 -0.083 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493822 1073219462 /nfs/dbraw/zinc/21/94/62/1073219462.db2.gz RISXHYBYRDFTFG-MJGOQNOKSA-N 2 0 430.553 -0.083 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493823 1073219414 /nfs/dbraw/zinc/21/94/14/1073219414.db2.gz RISXHYBYRDFTFG-PKOBYXMFSA-N 2 0 430.553 -0.083 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493848 1073219545 /nfs/dbraw/zinc/21/95/45/1073219545.db2.gz RXKXSARGWUZADD-RDJZCZTQSA-N 2 0 447.540 -0.828 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514964 1073219873 /nfs/dbraw/zinc/21/98/73/1073219873.db2.gz MOFJQKYSKILCII-WMZOPIPTSA-N 2 0 443.556 -0.298 20 0 IBADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159519061 1073219838 /nfs/dbraw/zinc/21/98/38/1073219838.db2.gz CPFLRGMPQGNNNQ-IRXDYDNUSA-N 2 0 448.572 -0.564 20 0 IBADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159530170 1073221597 /nfs/dbraw/zinc/22/15/97/1073221597.db2.gz SDXKVHHSFDNSCS-JBYIUTFZSA-N 2 0 432.569 -0.606 20 0 IBADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159530171 1073221426 /nfs/dbraw/zinc/22/14/26/1073221426.db2.gz SDXKVHHSFDNSCS-NJNPRVFISA-N 2 0 432.569 -0.606 20 0 IBADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159530905 1073221928 /nfs/dbraw/zinc/22/19/28/1073221928.db2.gz YVCSAUIBNLITFG-CVEARBPZSA-N 2 0 426.587 -0.786 20 0 IBADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159530906 1073221992 /nfs/dbraw/zinc/22/19/92/1073221992.db2.gz YVCSAUIBNLITFG-HOTGVXAUSA-N 2 0 426.587 -0.786 20 0 IBADRP 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 1073222476 /nfs/dbraw/zinc/22/24/76/1073222476.db2.gz CHYJIRYCTWEBJC-SQNIBIBYSA-N 2 0 426.587 -0.197 20 0 IBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534251 1073222452 /nfs/dbraw/zinc/22/24/52/1073222452.db2.gz NYILGBADIWADPA-GHDARCQNSA-N 2 0 446.573 -0.578 20 0 IBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534252 1073222468 /nfs/dbraw/zinc/22/24/68/1073222468.db2.gz NYILGBADIWADPA-IWQHBPENSA-N 2 0 446.573 -0.578 20 0 IBADRP 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 1073223037 /nfs/dbraw/zinc/22/30/37/1073223037.db2.gz QHUDWIDEMJLJSU-APAFKAMOSA-N 2 0 447.584 -0.320 20 0 IBADRP 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 1073222819 /nfs/dbraw/zinc/22/28/19/1073222819.db2.gz ZURZBOKZKWNQCC-ADHGMGHFSA-N 2 0 433.557 -0.710 20 0 IBADRP [NH3+][C@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159541413 1073223315 /nfs/dbraw/zinc/22/33/15/1073223315.db2.gz XBZUANQNECPVMF-AQCRLBJHSA-N 2 0 448.589 -0.060 20 0 IBADRP [NH3+][C@@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159541416 1073223365 /nfs/dbraw/zinc/22/33/65/1073223365.db2.gz XBZUANQNECPVMF-DYQZNNLLSA-N 2 0 448.589 -0.060 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159561189 1073223671 /nfs/dbraw/zinc/22/36/71/1073223671.db2.gz YLWGATFHFFDZOT-YJBOKZPZSA-N 2 0 445.568 -0.288 20 0 IBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573672 1073223772 /nfs/dbraw/zinc/22/37/72/1073223772.db2.gz CVXOWNWMDUZIES-INIZCTEOSA-N 2 0 446.577 -0.005 20 0 IBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573673 1073223881 /nfs/dbraw/zinc/22/38/81/1073223881.db2.gz CVXOWNWMDUZIES-MRXNPFEDSA-N 2 0 446.577 -0.005 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159574610 1073223889 /nfs/dbraw/zinc/22/38/89/1073223889.db2.gz SCBRYZKETRQUGX-UHFFFAOYSA-N 2 0 437.570 -0.562 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159574632 1073223821 /nfs/dbraw/zinc/22/38/21/1073223821.db2.gz SFGJTAPSTHUBRE-UHFFFAOYSA-N 2 0 447.565 -0.414 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159575269 1073223756 /nfs/dbraw/zinc/22/37/56/1073223756.db2.gz ZSVBEJHHICVUMQ-HOCLYGCPSA-N 2 0 427.509 -0.810 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583304 1073224345 /nfs/dbraw/zinc/22/43/45/1073224345.db2.gz RGTREOBTUXCJQP-GOSISDBHSA-N 3 0 428.585 -0.032 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583305 1073224288 /nfs/dbraw/zinc/22/42/88/1073224288.db2.gz RGTREOBTUXCJQP-SFHVURJKSA-N 3 0 428.585 -0.032 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593240 1073224221 /nfs/dbraw/zinc/22/42/21/1073224221.db2.gz ALAAGRKBJMGEPL-LXZJYRNTSA-N 2 0 437.566 -0.318 20 0 IBADRP O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159593351 1073224341 /nfs/dbraw/zinc/22/43/41/1073224341.db2.gz DIDPLBCUJBVBDF-IAVZTARUSA-N 2 0 447.561 -0.835 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159598900 1073225080 /nfs/dbraw/zinc/22/50/80/1073225080.db2.gz FQHLJFFJOGWNIZ-DMUMMCEESA-N 2 0 437.566 -0.188 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598999 1073225025 /nfs/dbraw/zinc/22/50/25/1073225025.db2.gz JGMKCUCHVLHXKL-MTHXSQLBSA-N 2 0 435.569 -0.424 20 0 IBADRP [NH3+][C@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159601056 1073225537 /nfs/dbraw/zinc/22/55/37/1073225537.db2.gz YOVSFPORDBJNMC-LXZJYRNTSA-N 2 0 435.550 -0.708 20 0 IBADRP [NH3+][C@@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)C1CC[NH2+]CC1 ZINC001159601059 1073225472 /nfs/dbraw/zinc/22/54/72/1073225472.db2.gz YOVSFPORDBJNMC-RMJJICAUSA-N 2 0 435.550 -0.708 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1csc(N3CC[NH2+]CC3)n1)CC2 ZINC001159609135 1073226038 /nfs/dbraw/zinc/22/60/38/1073226038.db2.gz FXLZQBDXRXAVEK-UHFFFAOYSA-N 2 0 449.625 -0.137 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1)CC2 ZINC001159609136 1073226028 /nfs/dbraw/zinc/22/60/28/1073226028.db2.gz FXPPMYYJYUZTRI-PMACEKPBSA-N 2 0 434.629 -0.100 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)CC2 ZINC001159609138 1073225873 /nfs/dbraw/zinc/22/58/73/1073225873.db2.gz FXPPMYYJYUZTRI-UXHICEINSA-N 2 0 434.629 -0.100 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1)CC2 ZINC001159609140 1073225855 /nfs/dbraw/zinc/22/58/55/1073225855.db2.gz FXPPMYYJYUZTRI-VQTJNVASSA-N 2 0 434.629 -0.100 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1)CC2 ZINC001159609142 1073226014 /nfs/dbraw/zinc/22/60/14/1073226014.db2.gz FXPPMYYJYUZTRI-WOJBJXKFSA-N 2 0 434.629 -0.100 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1CCN([C@H]3CC[NH2+]C3)CC1)CC2 ZINC001159609162 1073225969 /nfs/dbraw/zinc/22/59/69/1073225969.db2.gz GDXXVAXSMREVFI-FQEVSTJZSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1CCN([C@@H]3CC[NH2+]C3)CC1)CC2 ZINC001159609164 1073225888 /nfs/dbraw/zinc/22/58/88/1073225888.db2.gz GDXXVAXSMREVFI-HXUWFJFHSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001159609239 1073226490 /nfs/dbraw/zinc/22/64/90/1073226490.db2.gz HAVSCTZJTXYSBY-OALUTQOASA-N 2 0 448.612 -0.574 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cccnc1N1CC[NH2+]CC1)CC2 ZINC001159610333 1073226499 /nfs/dbraw/zinc/22/64/99/1073226499.db2.gz ODHLSXQPSFPUPM-UHFFFAOYSA-N 2 0 443.596 -0.198 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCN([C@H]3CC[NH2+]C3)C1)CC2 ZINC001159610900 1073226451 /nfs/dbraw/zinc/22/64/51/1073226451.db2.gz USMDYTYXBQLPKW-PMACEKPBSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCN([C@H]3CC[NH2+]C3)C1)CC2 ZINC001159610902 1073226482 /nfs/dbraw/zinc/22/64/82/1073226482.db2.gz USMDYTYXBQLPKW-UXHICEINSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCN([C@@H]3CC[NH2+]C3)C1)CC2 ZINC001159610904 1073226402 /nfs/dbraw/zinc/22/64/02/1073226402.db2.gz USMDYTYXBQLPKW-VQTJNVASSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCN([C@@H]3CC[NH2+]C3)C1)CC2 ZINC001159610906 1073226350 /nfs/dbraw/zinc/22/63/50/1073226350.db2.gz USMDYTYXBQLPKW-WOJBJXKFSA-N 2 0 434.629 -0.243 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)CC2 ZINC001159610956 1073226331 /nfs/dbraw/zinc/22/63/31/1073226331.db2.gz VTPLHGRPSGZVHU-UHFFFAOYSA-N 2 0 444.584 -0.803 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1([NH3+])CCC3(CC1)OCCO3)CC2 ZINC001159611324 1073226471 /nfs/dbraw/zinc/22/64/71/1073226471.db2.gz YVXZKAPUXSPJSR-UHFFFAOYSA-N 2 0 437.585 -0.302 20 0 IBADRP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159621360 1073226316 /nfs/dbraw/zinc/22/63/16/1073226316.db2.gz AMXQPHUDVXIVTH-DOTOQJQBSA-N 2 0 426.583 -0.383 20 0 IBADRP COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159621361 1073226879 /nfs/dbraw/zinc/22/68/79/1073226879.db2.gz AMXQPHUDVXIVTH-NVXWUHKLSA-N 2 0 426.583 -0.383 20 0 IBADRP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159621362 1073226773 /nfs/dbraw/zinc/22/67/73/1073226773.db2.gz AMXQPHUDVXIVTH-RDJZCZTQSA-N 2 0 426.583 -0.383 20 0 IBADRP COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159621363 1073226912 /nfs/dbraw/zinc/22/69/12/1073226912.db2.gz AMXQPHUDVXIVTH-WBVHZDCISA-N 2 0 426.583 -0.383 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159622425 1073226869 /nfs/dbraw/zinc/22/68/69/1073226869.db2.gz JHGYCGRDJWILJE-KKLQWCBXSA-N 2 0 429.565 -0.429 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159622431 1073226886 /nfs/dbraw/zinc/22/68/86/1073226886.db2.gz JHGYCGRDJWILJE-QMHWCDLVSA-N 2 0 429.565 -0.429 20 0 IBADRP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159623469 1073227201 /nfs/dbraw/zinc/22/72/01/1073227201.db2.gz SNVKGQAVBZNJQI-HOCLYGCPSA-N 2 0 434.628 -0.173 20 0 IBADRP COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159623470 1073227317 /nfs/dbraw/zinc/22/73/17/1073227317.db2.gz SNVKGQAVBZNJQI-ZBFHGGJFSA-N 2 0 434.628 -0.173 20 0 IBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]2C1 ZINC001159635354 1073228221 /nfs/dbraw/zinc/22/82/21/1073228221.db2.gz LWULMKZKLORZRO-FUMNGEBKSA-N 3 0 439.601 -0.371 20 0 IBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)CC[C@@H]2C1 ZINC001159635600 1073228167 /nfs/dbraw/zinc/22/81/67/1073228167.db2.gz PFNCPSXZNQEROB-ZIFCJYIRSA-N 2 0 434.541 -0.490 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635613 1073228012 /nfs/dbraw/zinc/22/80/12/1073228012.db2.gz PFYXLHDHGOMUJV-GOSISDBHSA-N 2 0 441.536 -0.327 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635618 1073228139 /nfs/dbraw/zinc/22/81/39/1073228139.db2.gz PFYXLHDHGOMUJV-SFHVURJKSA-N 2 0 441.536 -0.327 20 0 IBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC[C@@H]2C1 ZINC001159636631 1073228266 /nfs/dbraw/zinc/22/82/66/1073228266.db2.gz VXHUZDXIXYATDV-FGTMMUONSA-N 2 0 429.583 -0.404 20 0 IBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC[C@@H]2C1 ZINC001159636632 1073228241 /nfs/dbraw/zinc/22/82/41/1073228241.db2.gz VXHUZDXIXYATDV-KZNAEPCWSA-N 2 0 429.583 -0.404 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642418 1073228598 /nfs/dbraw/zinc/22/85/98/1073228598.db2.gz FYGNZSOALQJOIA-OALUTQOASA-N 2 0 442.568 -0.040 20 0 IBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159644883 1073229001 /nfs/dbraw/zinc/22/90/01/1073229001.db2.gz WYMPJDPWZALDFH-VOQZNFBZSA-N 2 0 426.521 -0.553 20 0 IBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159644884 1073228977 /nfs/dbraw/zinc/22/89/77/1073228977.db2.gz WYMPJDPWZALDFH-ZPMCFJSWSA-N 2 0 426.521 -0.553 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)OC2(CC[NH2+]CC2)C1 ZINC001159653961 1073229945 /nfs/dbraw/zinc/22/99/45/1073229945.db2.gz HTLBZUDTHRZUFQ-GOSISDBHSA-N 2 0 444.536 -0.346 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)OC2(CC[NH2+]CC2)C1 ZINC001159653963 1073229898 /nfs/dbraw/zinc/22/98/98/1073229898.db2.gz HTLBZUDTHRZUFQ-SFHVURJKSA-N 2 0 444.536 -0.346 20 0 IBADRP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159664083 1073230435 /nfs/dbraw/zinc/23/04/35/1073230435.db2.gz WHBCZCNKFKDMER-KRWDZBQOSA-N 2 0 428.541 -0.756 20 0 IBADRP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159664084 1073230374 /nfs/dbraw/zinc/23/03/74/1073230374.db2.gz WHBCZCNKFKDMER-QGZVFWFLSA-N 2 0 428.541 -0.756 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664536 1073230328 /nfs/dbraw/zinc/23/03/28/1073230328.db2.gz FSVMKFCRSVTUQN-FHWLQOOXSA-N 2 0 438.536 -0.179 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664538 1073230275 /nfs/dbraw/zinc/23/02/75/1073230275.db2.gz FSVMKFCRSVTUQN-OTWHNJEPSA-N 2 0 438.536 -0.179 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664540 1073230416 /nfs/dbraw/zinc/23/04/16/1073230416.db2.gz FSVMKFCRSVTUQN-QRVBRYPASA-N 2 0 438.536 -0.179 20 0 IBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664543 1073230258 /nfs/dbraw/zinc/23/02/58/1073230258.db2.gz FSVMKFCRSVTUQN-QYZOEREBSA-N 2 0 438.536 -0.179 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159723339 1073232560 /nfs/dbraw/zinc/23/25/60/1073232560.db2.gz LNXNDXTXMKCDND-DLBZAZTESA-N 2 0 426.525 -0.052 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159723341 1073232493 /nfs/dbraw/zinc/23/24/93/1073232493.db2.gz LNXNDXTXMKCDND-IAGOWNOFSA-N 2 0 426.525 -0.052 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159723342 1073232436 /nfs/dbraw/zinc/23/24/36/1073232436.db2.gz LNXNDXTXMKCDND-IRXDYDNUSA-N 2 0 426.525 -0.052 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159723344 1073232580 /nfs/dbraw/zinc/23/25/80/1073232580.db2.gz LNXNDXTXMKCDND-SJORKVTESA-N 2 0 426.525 -0.052 20 0 IBADRP Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4CCCN4C(=O)[C@@H]([NH3+])CCCC[NH3+])C3)CC2=O)cn1 ZINC001159752104 1073233320 /nfs/dbraw/zinc/23/33/20/1073233320.db2.gz WCSAPNQAPMJMPI-NPPFBWRTSA-N 2 0 445.568 -0.177 20 0 IBADRP Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4CCCN4C(=O)[C@@H]([NH3+])CCCC[NH3+])C3)CC2=O)cn1 ZINC001159752106 1073233273 /nfs/dbraw/zinc/23/32/73/1073233273.db2.gz WCSAPNQAPMJMPI-SPEDKVCISA-N 2 0 445.568 -0.177 20 0 IBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001159756388 1073233498 /nfs/dbraw/zinc/23/34/98/1073233498.db2.gz BWTVPDKBGMVFOF-WSTZPKSXSA-N 2 0 427.615 -0.072 20 0 IBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CCS(=O)(=O)C45C[NH2+]C5)C3)O2)CC1 ZINC001159758936 1073233887 /nfs/dbraw/zinc/23/38/87/1073233887.db2.gz VEWZKHSLHSBNRB-QWFCFKBJSA-N 2 0 440.610 -0.449 20 0 IBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CCS(=O)(=O)C45C[NH2+]C5)C3)O2)CC1 ZINC001159758937 1073233966 /nfs/dbraw/zinc/23/39/66/1073233966.db2.gz VEWZKHSLHSBNRB-WSTZPKSXSA-N 2 0 440.610 -0.449 20 0 IBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CNC(=O)C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759125 1073233868 /nfs/dbraw/zinc/23/38/68/1073233868.db2.gz YNZHJWZJXHZOHC-WOIUINJBSA-N 2 0 433.597 -0.110 20 0 IBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759126 1073233910 /nfs/dbraw/zinc/23/39/10/1073233910.db2.gz YNZHJWZJXHZOHC-XQBPLPMBSA-N 2 0 433.597 -0.110 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769395 1073234315 /nfs/dbraw/zinc/23/43/15/1073234315.db2.gz KBVMJOIYQJQNFD-QTMHVTGLSA-N 2 0 435.569 -0.282 20 0 IBADRP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCC2)c1ccco1 ZINC001159790216 1073234262 /nfs/dbraw/zinc/23/42/62/1073234262.db2.gz AHPNFFQTYPQLQD-IVZQSRNASA-N 2 0 440.504 -0.302 20 0 IBADRP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CCC2)c1ccco1 ZINC001159790236 1073234283 /nfs/dbraw/zinc/23/42/83/1073234283.db2.gz ASINOIWIMXPUIY-HNNXBMFYSA-N 2 0 426.477 -0.692 20 0 IBADRP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CCC2)c1ccco1 ZINC001159790237 1073234301 /nfs/dbraw/zinc/23/43/01/1073234301.db2.gz ASINOIWIMXPUIY-OAHLLOKOSA-N 2 0 426.477 -0.692 20 0 IBADRP [NH3+][C@H](C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1)C1CC[NH2+]CC1 ZINC001159790629 1073234895 /nfs/dbraw/zinc/23/48/95/1073234895.db2.gz IZWKXZPMDGHCRI-IBGZPJMESA-N 2 0 428.493 -0.175 20 0 IBADRP [NH3+][C@@H](C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1)C1CC[NH2+]CC1 ZINC001159790630 1073234907 /nfs/dbraw/zinc/23/49/07/1073234907.db2.gz IZWKXZPMDGHCRI-LJQANCHMSA-N 2 0 428.493 -0.175 20 0 IBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790736 1073234792 /nfs/dbraw/zinc/23/47/92/1073234792.db2.gz MDBSKBUKNISGCH-AWEZNQCLSA-N 2 0 434.522 -0.482 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001159810899 1073235854 /nfs/dbraw/zinc/23/58/54/1073235854.db2.gz QIPZWAJWHZIIHS-NNMXDRDESA-N 2 0 430.553 -0.544 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001159810900 1073235716 /nfs/dbraw/zinc/23/57/16/1073235716.db2.gz QIPZWAJWHZIIHS-WOIUINJBSA-N 2 0 430.553 -0.544 20 0 IBADRP 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 1073236755 /nfs/dbraw/zinc/23/67/55/1073236755.db2.gz RNDATIGRMZBATD-OXXUSNJHSA-N 2 0 435.500 -0.413 20 0 IBADRP 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 1073236699 /nfs/dbraw/zinc/23/66/99/1073236699.db2.gz RNDATIGRMZBATD-PAYONLEZSA-N 2 0 435.500 -0.413 20 0 IBADRP 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 1073236777 /nfs/dbraw/zinc/23/67/77/1073236777.db2.gz RNDATIGRMZBATD-QXRTWZOPSA-N 2 0 435.500 -0.413 20 0 IBADRP 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 1073236603 /nfs/dbraw/zinc/23/66/03/1073236603.db2.gz RNDATIGRMZBATD-UNQWWWNPSA-N 2 0 435.500 -0.413 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888491 1073237601 /nfs/dbraw/zinc/23/76/01/1073237601.db2.gz PRHDSNITHKURQH-QOKNQOGYSA-N 2 0 425.480 -0.034 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888492 1073237523 /nfs/dbraw/zinc/23/75/23/1073237523.db2.gz PRHDSNITHKURQH-URLQWDBASA-N 2 0 425.480 -0.034 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159929631 1073238540 /nfs/dbraw/zinc/23/85/40/1073238540.db2.gz LIXKIRZLBYIZJR-GHTZIAJQSA-N 2 0 435.548 -0.189 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159929632 1073238647 /nfs/dbraw/zinc/23/86/47/1073238647.db2.gz LIXKIRZLBYIZJR-NQIIRXRSSA-N 2 0 435.548 -0.189 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159929633 1073238570 /nfs/dbraw/zinc/23/85/70/1073238570.db2.gz LIXKIRZLBYIZJR-RXVVDRJESA-N 2 0 435.548 -0.189 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159929634 1073238591 /nfs/dbraw/zinc/23/85/91/1073238591.db2.gz LIXKIRZLBYIZJR-WIYYLYMNSA-N 2 0 435.548 -0.189 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159997914 1073240440 /nfs/dbraw/zinc/24/04/40/1073240440.db2.gz CEMAPKAUWXTSIJ-FQEVSTJZSA-N 2 0 428.581 -0.270 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159997915 1073240355 /nfs/dbraw/zinc/24/03/55/1073240355.db2.gz CEMAPKAUWXTSIJ-HXUWFJFHSA-N 2 0 428.581 -0.270 20 0 IBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]2C1 ZINC001160000031 1073240838 /nfs/dbraw/zinc/24/08/38/1073240838.db2.gz XFZDDEJALAGLJZ-QZWWFDLISA-N 2 0 429.587 -0.684 20 0 IBADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)C[C@H]2C1 ZINC001160008595 1073240956 /nfs/dbraw/zinc/24/09/56/1073240956.db2.gz ZOSHFLYFPCAVCE-IKGGRYGDSA-N 2 0 429.587 -0.974 20 0 IBADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)C[C@H]2C1 ZINC001160008596 1073240904 /nfs/dbraw/zinc/24/09/04/1073240904.db2.gz ZOSHFLYFPCAVCE-IXDOHACOSA-N 2 0 429.587 -0.974 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160018011 1073241286 /nfs/dbraw/zinc/24/12/86/1073241286.db2.gz FGCRPBQUTYMBKY-IBGZPJMESA-N 2 0 430.553 -0.448 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160018013 1073241254 /nfs/dbraw/zinc/24/12/54/1073241254.db2.gz FGCRPBQUTYMBKY-LJQANCHMSA-N 2 0 430.553 -0.448 20 0 IBADRP Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052919 1073241735 /nfs/dbraw/zinc/24/17/35/1073241735.db2.gz PZJRFBMFSDMHJR-BXWFABGCSA-N 2 0 435.550 -0.194 20 0 IBADRP Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052922 1073241819 /nfs/dbraw/zinc/24/18/19/1073241819.db2.gz PZJRFBMFSDMHJR-GJYPPUQNSA-N 2 0 435.550 -0.194 20 0 IBADRP Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052925 1073242311 /nfs/dbraw/zinc/24/23/11/1073242311.db2.gz PZJRFBMFSDMHJR-JTDSTZFVSA-N 2 0 435.550 -0.194 20 0 IBADRP Cc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052927 1073242293 /nfs/dbraw/zinc/24/22/93/1073242293.db2.gz PZJRFBMFSDMHJR-TXPKVOOTSA-N 2 0 435.550 -0.194 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)C(N)=O ZINC001160053226 1073242375 /nfs/dbraw/zinc/24/23/75/1073242375.db2.gz QEJPEXXUZHUPLV-FUHWJXTLSA-N 2 0 430.553 -0.006 20 0 IBADRP Cc1ccc(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054310 1073242200 /nfs/dbraw/zinc/24/22/00/1073242200.db2.gz ZBUDDQIKHVGLKY-CRAIPNDOSA-N 2 0 426.543 -0.751 20 0 IBADRP Cc1ccc(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054311 1073242408 /nfs/dbraw/zinc/24/24/08/1073242408.db2.gz ZBUDDQIKHVGLKY-MAUKXSAKSA-N 2 0 426.543 -0.751 20 0 IBADRP Cc1ccc(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054312 1073242207 /nfs/dbraw/zinc/24/22/07/1073242207.db2.gz ZBUDDQIKHVGLKY-QAPCUYQASA-N 2 0 426.543 -0.751 20 0 IBADRP Cc1ccc(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054313 1073242271 /nfs/dbraw/zinc/24/22/71/1073242271.db2.gz ZBUDDQIKHVGLKY-YJBOKZPZSA-N 2 0 426.543 -0.751 20 0 IBADRP Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059668 1073242281 /nfs/dbraw/zinc/24/22/81/1073242281.db2.gz QUVORHTVCYLIFE-CMBDLQSPSA-N 2 0 447.540 -0.873 20 0 IBADRP Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059669 1073242358 /nfs/dbraw/zinc/24/23/58/1073242358.db2.gz QUVORHTVCYLIFE-GXYOHSSGSA-N 2 0 447.540 -0.873 20 0 IBADRP Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059670 1073242342 /nfs/dbraw/zinc/24/23/42/1073242342.db2.gz QUVORHTVCYLIFE-IWLLQYOYSA-N 2 0 447.540 -0.873 20 0 IBADRP Cc1ccc(N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059671 1073242951 /nfs/dbraw/zinc/24/29/51/1073242951.db2.gz QUVORHTVCYLIFE-YJPQMCDFSA-N 2 0 447.540 -0.873 20 0 IBADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)CC[C@@H]32)cn1 ZINC001160078005 1073242900 /nfs/dbraw/zinc/24/29/00/1073242900.db2.gz KZYWYTQLBTYVBB-CADBVGFASA-N 2 0 430.553 -0.112 20 0 IBADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)CC[C@@H]32)cn1 ZINC001160078006 1073242679 /nfs/dbraw/zinc/24/26/79/1073242679.db2.gz KZYWYTQLBTYVBB-INDMIFKZSA-N 2 0 430.553 -0.112 20 0 IBADRP 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 1073242938 /nfs/dbraw/zinc/24/29/38/1073242938.db2.gz DNVOXCYWZNTSTF-PSBWJHGTSA-N 2 0 431.537 -0.567 20 0 IBADRP 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 1073242855 /nfs/dbraw/zinc/24/28/55/1073242855.db2.gz DNVOXCYWZNTSTF-RWQQGDIJSA-N 2 0 431.537 -0.567 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)C(N)=O ZINC001160139009 1073248312 /nfs/dbraw/zinc/24/83/12/1073248312.db2.gz SFZGMFGZUWZQQG-DBDOFBCQSA-N 2 0 432.525 -0.721 20 0 IBADRP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001160148278 1073248220 /nfs/dbraw/zinc/24/82/20/1073248220.db2.gz OITBNBBLWCFGQB-NMLBUPMWSA-N 2 0 430.553 -0.451 20 0 IBADRP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)O1 ZINC001160148279 1073248365 /nfs/dbraw/zinc/24/83/65/1073248365.db2.gz OITBNBBLWCFGQB-WTGUMLROSA-N 2 0 430.553 -0.451 20 0 IBADRP [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 1073248237 /nfs/dbraw/zinc/24/82/37/1073248237.db2.gz DHKHZAXORPLKGY-YRPNKDGESA-N 2 0 432.521 -0.939 20 0 IBADRP 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 1073248291 /nfs/dbraw/zinc/24/82/91/1073248291.db2.gz JEIGACKNMFTVRS-YRPNKDGESA-N 2 0 449.596 -0.293 20 0 IBADRP Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171018 1073248163 /nfs/dbraw/zinc/24/81/63/1073248163.db2.gz FFSSFCWEPXFOSU-KSSFIOAISA-N 2 0 439.520 -0.155 20 0 IBADRP 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 1073249098 /nfs/dbraw/zinc/24/90/98/1073249098.db2.gz CCUMPYCOEFNPPV-AVRDEDQJSA-N 2 0 449.596 -0.195 20 0 IBADRP 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 1073249287 /nfs/dbraw/zinc/24/92/87/1073249287.db2.gz CCUMPYCOEFNPPV-GCJKJVERSA-N 2 0 449.596 -0.195 20 0 IBADRP 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 1073249223 /nfs/dbraw/zinc/24/92/23/1073249223.db2.gz CCUMPYCOEFNPPV-PGRDOPGGSA-N 2 0 449.596 -0.195 20 0 IBADRP 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 1073249315 /nfs/dbraw/zinc/24/93/15/1073249315.db2.gz CCUMPYCOEFNPPV-XMSQKQJNSA-N 2 0 449.596 -0.195 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193595 1073249683 /nfs/dbraw/zinc/24/96/83/1073249683.db2.gz PCTWOLBOJZSSOQ-IRXDYDNUSA-N 2 0 443.556 -0.298 20 0 IBADRP 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 1073250678 /nfs/dbraw/zinc/25/06/78/1073250678.db2.gz RVSXPFNORWXIJI-BSDSXHPESA-N 2 0 446.552 -0.639 20 0 IBADRP 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 1073250644 /nfs/dbraw/zinc/25/06/44/1073250644.db2.gz RVSXPFNORWXIJI-XWTMOSNGSA-N 2 0 446.552 -0.639 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)n1c([C@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257934 1073251087 /nfs/dbraw/zinc/25/10/87/1073251087.db2.gz WCQCGHQTNXFOFY-CJJNSTJGSA-N 2 0 429.525 -0.372 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)n1c([C@@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257935 1073250929 /nfs/dbraw/zinc/25/09/29/1073250929.db2.gz WCQCGHQTNXFOFY-GAODFJBKSA-N 2 0 429.525 -0.372 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)n1c([C@@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257936 1073251019 /nfs/dbraw/zinc/25/10/19/1073251019.db2.gz WCQCGHQTNXFOFY-KSVVGEQXSA-N 2 0 429.525 -0.372 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)n1c([C@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257937 1073251067 /nfs/dbraw/zinc/25/10/67/1073251067.db2.gz WCQCGHQTNXFOFY-NIEZFFSYSA-N 2 0 429.525 -0.372 20 0 IBADRP CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]12 ZINC001160261287 1073251547 /nfs/dbraw/zinc/25/15/47/1073251547.db2.gz QHAIWVFTHYFJOC-ONTIZHBOSA-N 2 0 449.621 -0.059 20 0 IBADRP CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]12 ZINC001160261288 1073251555 /nfs/dbraw/zinc/25/15/55/1073251555.db2.gz QHAIWVFTHYFJOC-SJBKTWHCSA-N 2 0 449.621 -0.059 20 0 IBADRP CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]12 ZINC001160261289 1073251509 /nfs/dbraw/zinc/25/15/09/1073251509.db2.gz QHAIWVFTHYFJOC-URVUXULASA-N 2 0 449.621 -0.059 20 0 IBADRP CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@@H]12 ZINC001160261290 1073251521 /nfs/dbraw/zinc/25/15/21/1073251521.db2.gz QHAIWVFTHYFJOC-VWPQPMDRSA-N 2 0 449.621 -0.059 20 0 IBADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160266406 1073251915 /nfs/dbraw/zinc/25/19/15/1073251915.db2.gz KEPCADXRCYEEGG-IBGZPJMESA-N 2 0 445.564 -0.684 20 0 IBADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160266408 1073251959 /nfs/dbraw/zinc/25/19/59/1073251959.db2.gz KEPCADXRCYEEGG-LJQANCHMSA-N 2 0 445.564 -0.684 20 0 IBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]2C1 ZINC001160296140 1073252844 /nfs/dbraw/zinc/25/28/44/1073252844.db2.gz YINJUTDKFIAQLF-LTFXXXRZSA-N 2 0 437.585 -0.036 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300255 1073252932 /nfs/dbraw/zinc/25/29/32/1073252932.db2.gz NGEQCCBBZRELFG-AVRDEDQJSA-N 2 0 443.552 -0.414 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300256 1073252759 /nfs/dbraw/zinc/25/27/59/1073252759.db2.gz NGEQCCBBZRELFG-GCJKJVERSA-N 2 0 443.552 -0.414 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300257 1073252802 /nfs/dbraw/zinc/25/28/02/1073252802.db2.gz NGEQCCBBZRELFG-PGRDOPGGSA-N 2 0 443.552 -0.414 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300258 1073252870 /nfs/dbraw/zinc/25/28/70/1073252870.db2.gz NGEQCCBBZRELFG-XMSQKQJNSA-N 2 0 443.552 -0.414 20 0 IBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CCC2 ZINC001160322551 1073253597 /nfs/dbraw/zinc/25/35/97/1073253597.db2.gz CULCHFYMDZMROM-WMZOPIPTSA-N 2 0 433.557 -0.301 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342843 1073254181 /nfs/dbraw/zinc/25/41/81/1073254181.db2.gz DKDWDVQSVZPQQG-AVRDEDQJSA-N 2 0 446.552 -0.636 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342844 1073254131 /nfs/dbraw/zinc/25/41/31/1073254131.db2.gz DKDWDVQSVZPQQG-GCJKJVERSA-N 2 0 446.552 -0.636 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342845 1073254268 /nfs/dbraw/zinc/25/42/68/1073254268.db2.gz DKDWDVQSVZPQQG-PGRDOPGGSA-N 2 0 446.552 -0.636 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342846 1073254281 /nfs/dbraw/zinc/25/42/81/1073254281.db2.gz DKDWDVQSVZPQQG-XMSQKQJNSA-N 2 0 446.552 -0.636 20 0 IBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CCC2 ZINC001160356898 1073255770 /nfs/dbraw/zinc/25/57/70/1073255770.db2.gz GEAQVGUSHPMQRU-INIZCTEOSA-N 2 0 443.556 -0.369 20 0 IBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CCC2 ZINC001160356899 1073255948 /nfs/dbraw/zinc/25/59/48/1073255948.db2.gz GEAQVGUSHPMQRU-MRXNPFEDSA-N 2 0 443.556 -0.369 20 0 IBADRP CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160370366 1073256441 /nfs/dbraw/zinc/25/64/41/1073256441.db2.gz GNUZJYYITZINFT-DENIHFKCSA-N 2 0 432.544 -0.174 20 0 IBADRP CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160370368 1073256292 /nfs/dbraw/zinc/25/62/92/1073256292.db2.gz GNUZJYYITZINFT-KNQAVFIVSA-N 2 0 432.544 -0.174 20 0 IBADRP CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160370370 1073256477 /nfs/dbraw/zinc/25/64/77/1073256477.db2.gz GNUZJYYITZINFT-SIKLNZKXSA-N 2 0 432.544 -0.174 20 0 IBADRP CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160370372 1073256406 /nfs/dbraw/zinc/25/64/06/1073256406.db2.gz GNUZJYYITZINFT-UGKGYDQZSA-N 2 0 432.544 -0.174 20 0 IBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CCC2 ZINC001160370806 1073256395 /nfs/dbraw/zinc/25/63/95/1073256395.db2.gz BNJGQKLDZLDLLU-INIZCTEOSA-N 2 0 438.573 -0.048 20 0 IBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2 ZINC001160372699 1073256334 /nfs/dbraw/zinc/25/63/34/1073256334.db2.gz SAAPULOLPQHYPM-HNNXBMFYSA-N 2 0 425.555 -0.530 20 0 IBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2 ZINC001160372702 1073256419 /nfs/dbraw/zinc/25/64/19/1073256419.db2.gz SAAPULOLPQHYPM-OAHLLOKOSA-N 2 0 425.555 -0.530 20 0 IBADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1CCC[N@@H+](C3CC[NH2+]CC3)C1)C2 ZINC001160381499 1073256772 /nfs/dbraw/zinc/25/67/72/1073256772.db2.gz VWRMTTIMQCIBHD-INIZCTEOSA-N 2 0 433.557 -0.311 20 0 IBADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCC[N@@H+](C3CC[NH2+]CC3)C1)C2 ZINC001160381500 1073256797 /nfs/dbraw/zinc/25/67/97/1073256797.db2.gz VWRMTTIMQCIBHD-MRXNPFEDSA-N 2 0 433.557 -0.311 20 0 IBADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160382045 1073257452 /nfs/dbraw/zinc/25/74/52/1073257452.db2.gz IOTLBKXACVSXCJ-HNNXBMFYSA-N 2 0 428.545 -0.212 20 0 IBADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160382046 1073257360 /nfs/dbraw/zinc/25/73/60/1073257360.db2.gz IOTLBKXACVSXCJ-OAHLLOKOSA-N 2 0 428.545 -0.212 20 0 IBADRP 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 1073258462 /nfs/dbraw/zinc/25/84/62/1073258462.db2.gz BRPRWGRRKOQVJE-WJFTUGDTSA-N 2 0 446.552 -0.639 20 0 IBADRP 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 1073258295 /nfs/dbraw/zinc/25/82/95/1073258295.db2.gz BRPRWGRRKOQVJE-ZSYWTGECSA-N 2 0 446.552 -0.639 20 0 IBADRP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001160400950 1073258321 /nfs/dbraw/zinc/25/83/21/1073258321.db2.gz FOCMVDZTEOBNPA-FUMNGEBKSA-N 2 0 427.549 -0.197 20 0 IBADRP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001160400951 1073258420 /nfs/dbraw/zinc/25/84/20/1073258420.db2.gz FOCMVDZTEOBNPA-IYWMVGAKSA-N 2 0 427.549 -0.197 20 0 IBADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001160403588 1073259210 /nfs/dbraw/zinc/25/92/10/1073259210.db2.gz BOFNGTHFZRIGSY-KRWDZBQOSA-N 2 0 440.552 -0.195 20 0 IBADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001160403590 1073259128 /nfs/dbraw/zinc/25/91/28/1073259128.db2.gz BOFNGTHFZRIGSY-QGZVFWFLSA-N 2 0 440.552 -0.195 20 0 IBADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001160404507 1073259103 /nfs/dbraw/zinc/25/91/03/1073259103.db2.gz OHLDSWMBFPLWQF-QVKFZJNVSA-N 2 0 426.525 -0.870 20 0 IBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160404903 1073259639 /nfs/dbraw/zinc/25/96/39/1073259639.db2.gz DICCNUSYLHJTOO-AWEZNQCLSA-N 2 0 431.522 -0.524 20 0 IBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160404905 1073259612 /nfs/dbraw/zinc/25/96/12/1073259612.db2.gz DICCNUSYLHJTOO-CQSZACIVSA-N 2 0 431.522 -0.524 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160405341 1073259762 /nfs/dbraw/zinc/25/97/62/1073259762.db2.gz VOYKZEYESMDMLO-KRWDZBQOSA-N 2 0 431.541 -0.939 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160405342 1073259684 /nfs/dbraw/zinc/25/96/84/1073259684.db2.gz VOYKZEYESMDMLO-QGZVFWFLSA-N 2 0 431.541 -0.939 20 0 IBADRP CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC1)C(=O)N2 ZINC001160408369 1073260472 /nfs/dbraw/zinc/26/04/72/1073260472.db2.gz OECLKIVDMYCKSR-KRWDZBQOSA-N 2 0 428.537 -0.391 20 0 IBADRP CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC1)C(=O)N2 ZINC001160408370 1073260497 /nfs/dbraw/zinc/26/04/97/1073260497.db2.gz OECLKIVDMYCKSR-QGZVFWFLSA-N 2 0 428.537 -0.391 20 0 IBADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418708 1073260911 /nfs/dbraw/zinc/26/09/11/1073260911.db2.gz MLDWTRHWZJWNOR-AVRDEDQJSA-N 2 0 438.569 -0.448 20 0 IBADRP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418709 1073260974 /nfs/dbraw/zinc/26/09/74/1073260974.db2.gz MLDWTRHWZJWNOR-GCJKJVERSA-N 2 0 438.569 -0.448 20 0 IBADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418710 1073260838 /nfs/dbraw/zinc/26/08/38/1073260838.db2.gz MLDWTRHWZJWNOR-PGRDOPGGSA-N 2 0 438.569 -0.448 20 0 IBADRP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418711 1073260860 /nfs/dbraw/zinc/26/08/60/1073260860.db2.gz MLDWTRHWZJWNOR-XMSQKQJNSA-N 2 0 438.569 -0.448 20 0 IBADRP 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 1073261642 /nfs/dbraw/zinc/26/16/42/1073261642.db2.gz ATPKGZNCXCLMGT-AEIBSFOJSA-N 2 0 430.553 -0.152 20 0 IBADRP 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 1073261674 /nfs/dbraw/zinc/26/16/74/1073261674.db2.gz ATPKGZNCXCLMGT-FQQAFBJJSA-N 2 0 430.553 -0.152 20 0 IBADRP 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 1073261460 /nfs/dbraw/zinc/26/14/60/1073261460.db2.gz ATPKGZNCXCLMGT-NXJYUQPGSA-N 2 0 430.553 -0.152 20 0 IBADRP 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 1073261586 /nfs/dbraw/zinc/26/15/86/1073261586.db2.gz ATPKGZNCXCLMGT-PLOWYNNNSA-N 2 0 430.553 -0.152 20 0 IBADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)CC2)n1 ZINC001160428706 1073261699 /nfs/dbraw/zinc/26/16/99/1073261699.db2.gz LEMGPGTXWQYPQH-INIZCTEOSA-N 2 0 434.541 -0.409 20 0 IBADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)CC2)n1 ZINC001160428707 1073261521 /nfs/dbraw/zinc/26/15/21/1073261521.db2.gz LEMGPGTXWQYPQH-MRXNPFEDSA-N 2 0 434.541 -0.409 20 0 IBADRP COCCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC001160438652 1073261931 /nfs/dbraw/zinc/26/19/31/1073261931.db2.gz AJYLGLWGUZGROC-OALUTQOASA-N 2 0 439.601 -0.045 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)CC1CC[NH+](C)CC1)C(=O)CF ZINC001160455030 1073262472 /nfs/dbraw/zinc/26/24/72/1073262472.db2.gz XMFUKJSRDYMLPX-QOKNQOGYSA-N 2 0 443.564 -0.312 20 0 IBADRP C[NH2+]CC1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001160459587 1073262521 /nfs/dbraw/zinc/26/25/21/1073262521.db2.gz NDWHZNNFQPDSQJ-YEWWUXTCSA-N 2 0 429.537 -0.654 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470246 1073262948 /nfs/dbraw/zinc/26/29/48/1073262948.db2.gz JFPBMUJYRFAEKO-PMACEKPBSA-N 2 0 444.532 -0.050 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470248 1073262886 /nfs/dbraw/zinc/26/28/86/1073262886.db2.gz JFPBMUJYRFAEKO-UXHICEINSA-N 2 0 444.532 -0.050 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470251 1073262932 /nfs/dbraw/zinc/26/29/32/1073262932.db2.gz JFPBMUJYRFAEKO-VQTJNVASSA-N 2 0 444.532 -0.050 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470253 1073262840 /nfs/dbraw/zinc/26/28/40/1073262840.db2.gz JFPBMUJYRFAEKO-WOJBJXKFSA-N 2 0 444.532 -0.050 20 0 IBADRP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160492879 1073263984 /nfs/dbraw/zinc/26/39/84/1073263984.db2.gz IYNOOIDSHFKRGM-BCUIYNNISA-N 2 0 430.527 -0.950 20 0 IBADRP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160492880 1073263963 /nfs/dbraw/zinc/26/39/63/1073263963.db2.gz IYNOOIDSHFKRGM-JFILPPLUSA-N 2 0 430.527 -0.950 20 0 IBADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160492881 1073263892 /nfs/dbraw/zinc/26/38/92/1073263892.db2.gz IYNOOIDSHFKRGM-QCQGSNGOSA-N 2 0 430.527 -0.950 20 0 IBADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160492882 1073263993 /nfs/dbraw/zinc/26/39/93/1073263993.db2.gz IYNOOIDSHFKRGM-WFGGJUAMSA-N 2 0 430.527 -0.950 20 0 IBADRP CC[NH+]1CCC(N(C)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001160537131 1073264313 /nfs/dbraw/zinc/26/43/13/1073264313.db2.gz GMNASGYDEAOWJL-QOKNQOGYSA-N 2 0 443.564 -0.169 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160565984 1073264476 /nfs/dbraw/zinc/26/44/76/1073264476.db2.gz JOVPVJXPKUQJPM-YJBOKZPZSA-N 2 0 441.536 -0.339 20 0 IBADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160586286 1073264694 /nfs/dbraw/zinc/26/46/94/1073264694.db2.gz ZGCOZVPTBKZCGI-IRXDYDNUSA-N 2 0 431.603 -0.987 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589120 1073264666 /nfs/dbraw/zinc/26/46/66/1073264666.db2.gz MOJFQWATMUVIGX-YOEHRIQHSA-N 2 0 442.520 -0.703 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)NCC(N)=O ZINC001160628544 1073266573 /nfs/dbraw/zinc/26/65/73/1073266573.db2.gz JNSSNHSMKBNXGG-ULQDDVLXSA-N 2 0 440.589 -0.831 20 0 IBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160630136 1073266935 /nfs/dbraw/zinc/26/69/35/1073266935.db2.gz VZXHWPAYIISFCB-PMACEKPBSA-N 3 0 437.585 -0.529 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@@H](N)C[NH3+])cc1)C(=O)NCC(N)=O ZINC001160630532 1073267024 /nfs/dbraw/zinc/26/70/24/1073267024.db2.gz COYFPAGCLGAREH-BZSNNMDCSA-N 2 0 446.552 -0.618 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@H](N)C[NH3+])cc1)C(=O)NCC(N)=O ZINC001160630533 1073266921 /nfs/dbraw/zinc/26/69/21/1073266921.db2.gz COYFPAGCLGAREH-SQNIBIBYSA-N 2 0 446.552 -0.618 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)CC[NH+]1CCCC1)C(=O)CF ZINC001160689515 1073269694 /nfs/dbraw/zinc/26/96/94/1073269694.db2.gz XTIUJLBLFOHQAM-MPGHIAIKSA-N 2 0 429.537 -0.558 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@@H]1CCC[NH2+]C1)C(=O)CF ZINC001160694412 1073269728 /nfs/dbraw/zinc/26/97/28/1073269728.db2.gz BGAQYQLKZJKOQD-KRXQYRFLSA-N 2 0 429.537 -0.654 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@H]1CCC[NH2+]C1)C(=O)CF ZINC001160694413 1073269635 /nfs/dbraw/zinc/26/96/35/1073269635.db2.gz BGAQYQLKZJKOQD-XSWJXKHESA-N 2 0 429.537 -0.654 20 0 IBADRP 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 1073269778 /nfs/dbraw/zinc/26/97/78/1073269778.db2.gz FVJWUJOTLHJQSV-JTJHWIPRSA-N 2 0 429.565 -0.167 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[NH+]2CCC1CC2)C(=O)CF ZINC001160725457 1073269704 /nfs/dbraw/zinc/26/97/04/1073269704.db2.gz AHGSAZNESYORMT-YEWWUXTCSA-N 2 0 427.521 -0.806 20 0 IBADRP CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160754414 1073270362 /nfs/dbraw/zinc/27/03/62/1073270362.db2.gz JWSJMSSCKAGZNJ-IBGZPJMESA-N 2 0 431.585 -0.037 20 0 IBADRP CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160754415 1073270312 /nfs/dbraw/zinc/27/03/12/1073270312.db2.gz JWSJMSSCKAGZNJ-LJQANCHMSA-N 2 0 431.585 -0.037 20 0 IBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160781917 1073270979 /nfs/dbraw/zinc/27/09/79/1073270979.db2.gz XPYZDKGPEYBDCA-HBDUWURDSA-N 2 0 438.528 -0.261 20 0 IBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C[C@H]1C2 ZINC001160789390 1073271495 /nfs/dbraw/zinc/27/14/95/1073271495.db2.gz BWGGEWICXKWTJU-VLXUNWKESA-N 2 0 430.509 -0.829 20 0 IBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]1C2 ZINC001160791784 1073271452 /nfs/dbraw/zinc/27/14/52/1073271452.db2.gz CEIYGWVROJNLHG-YFSSQWDJSA-N 2 0 425.551 -0.742 20 0 IBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]1C2 ZINC001160791785 1073271512 /nfs/dbraw/zinc/27/15/12/1073271512.db2.gz CEIYGWVROJNLHG-YXTCSXCUSA-N 2 0 425.551 -0.742 20 0 IBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C[C@H]1C2 ZINC001160804274 1073271651 /nfs/dbraw/zinc/27/16/51/1073271651.db2.gz WFAFOPAJCDUROT-MDESCKTMSA-N 2 0 440.504 -0.139 20 0 IBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C[C@H]1C2 ZINC001160804275 1073271562 /nfs/dbraw/zinc/27/15/62/1073271562.db2.gz WFAFOPAJCDUROT-WBEBWMKNSA-N 2 0 440.504 -0.139 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805692 1073271523 /nfs/dbraw/zinc/27/15/23/1073271523.db2.gz FEGSUFSOHSJQBU-PMACEKPBSA-N 2 0 443.596 -0.138 20 0 IBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160806238 1073272029 /nfs/dbraw/zinc/27/20/29/1073272029.db2.gz MENPTRPXZAGUTQ-HOTGVXAUSA-N 2 0 434.541 -0.108 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160838421 1073271933 /nfs/dbraw/zinc/27/19/33/1073271933.db2.gz IRSWULQDDPIJIA-MHORFTMASA-N 2 0 425.574 -0.356 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160838422 1073272100 /nfs/dbraw/zinc/27/21/00/1073272100.db2.gz IRSWULQDDPIJIA-XSLAGTTESA-N 2 0 425.574 -0.356 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160839456 1073272017 /nfs/dbraw/zinc/27/20/17/1073272017.db2.gz PYHZDWQRYVDZIS-DYXWJJEUSA-N 2 0 447.580 -0.398 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160839462 1073272624 /nfs/dbraw/zinc/27/26/24/1073272624.db2.gz PYHZDWQRYVDZIS-ZJOUEHCJSA-N 2 0 447.580 -0.398 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160895241 1073272964 /nfs/dbraw/zinc/27/29/64/1073272964.db2.gz WSHSKLDATZUDBT-NRFANRHFSA-N 2 0 443.592 -0.058 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160895246 1073273090 /nfs/dbraw/zinc/27/30/90/1073273090.db2.gz WSHSKLDATZUDBT-OAQYLSRUSA-N 2 0 443.592 -0.058 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915972 1073272928 /nfs/dbraw/zinc/27/29/28/1073272928.db2.gz SNHWUHFJDAQAEA-XIRDDKMYSA-N 2 0 431.541 -0.350 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1)C(=O)CF ZINC001160965216 1073274102 /nfs/dbraw/zinc/27/41/02/1073274102.db2.gz USUDVIYIXZJLDN-ZLFLNXGQSA-N 2 0 441.548 -0.702 20 0 IBADRP COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@]45C[NH2+]C[C@H]4C[NH2+]CC5)C3)C2=O)cc1 ZINC001160965264 1073274054 /nfs/dbraw/zinc/27/40/54/1073274054.db2.gz SSFQAPJCFJPQJE-HVETUWLQSA-N 2 0 427.505 -0.083 20 0 IBADRP COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@]45C[NH2+]C[C@H]4C[NH2+]CC5)C3)C2=O)cc1 ZINC001160965265 1073274067 /nfs/dbraw/zinc/27/40/67/1073274067.db2.gz SSFQAPJCFJPQJE-NPFVIJTESA-N 2 0 427.505 -0.083 20 0 IBADRP COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]([NH3+])CN4CCC([NH3+])CC4)C3)C2=O)cc1 ZINC001160968278 1073274398 /nfs/dbraw/zinc/27/43/98/1073274398.db2.gz RVKSWAXMUJNMHS-AVRDEDQJSA-N 2 0 444.536 -0.532 20 0 IBADRP COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]([NH3+])CN4CCC([NH3+])CC4)C3)C2=O)cc1 ZINC001160968279 1073274355 /nfs/dbraw/zinc/27/43/55/1073274355.db2.gz RVKSWAXMUJNMHS-GCJKJVERSA-N 2 0 444.536 -0.532 20 0 IBADRP COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]([NH3+])CN4CCC([NH3+])CC4)C3)C2=O)cc1 ZINC001160968280 1073274409 /nfs/dbraw/zinc/27/44/09/1073274409.db2.gz RVKSWAXMUJNMHS-PGRDOPGGSA-N 2 0 444.536 -0.532 20 0 IBADRP COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]([NH3+])CN4CCC([NH3+])CC4)C3)C2=O)cc1 ZINC001160968281 1073274591 /nfs/dbraw/zinc/27/45/91/1073274591.db2.gz RVKSWAXMUJNMHS-XMSQKQJNSA-N 2 0 444.536 -0.532 20 0 IBADRP CS(=O)(=O)c1nc2c(c(-n3cc(Br)ccc3=NCC[NH3+])n1)CC[NH2+]CC2 ZINC001160969012 1073274533 /nfs/dbraw/zinc/27/45/33/1073274533.db2.gz RUGUZPPIMDSWMA-UHFFFAOYSA-N 2 0 441.355 -0.019 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C(=O)CF ZINC001160972639 1073274492 /nfs/dbraw/zinc/27/44/92/1073274492.db2.gz RJFUGOCBSROQSU-ASHKBJFXSA-N 2 0 437.463 -0.917 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C(=O)CF ZINC001160972641 1073274438 /nfs/dbraw/zinc/27/44/38/1073274438.db2.gz RJFUGOCBSROQSU-OXIQGZBJSA-N 2 0 437.463 -0.917 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009500 1073275267 /nfs/dbraw/zinc/27/52/67/1073275267.db2.gz WHOKSFJUBXLEOW-XLAORIBOSA-N 2 0 437.585 -0.429 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009503 1073275416 /nfs/dbraw/zinc/27/54/16/1073275416.db2.gz WHOKSFJUBXLEOW-XSLAGTTESA-N 2 0 437.585 -0.429 20 0 IBADRP 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 1073275979 /nfs/dbraw/zinc/27/59/79/1073275979.db2.gz MTCJXKSOIKNJLG-FPXQBCRKSA-N 2 0 443.564 -0.171 20 0 IBADRP 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 1073275956 /nfs/dbraw/zinc/27/59/56/1073275956.db2.gz MTCJXKSOIKNJLG-RCJHGTSTSA-N 2 0 443.564 -0.171 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C1(C)CC[NH2+]CC1)C(=O)CF ZINC001161073524 1073276410 /nfs/dbraw/zinc/27/64/10/1073276410.db2.gz OXFWONCJCWFXBT-ZQIUZPCESA-N 2 0 429.537 -0.512 20 0 IBADRP 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 1073276887 /nfs/dbraw/zinc/27/68/87/1073276887.db2.gz TUWMKMJDJPVYLU-GMHRPJKWSA-N 2 0 441.548 -0.560 20 0 IBADRP 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 1073276816 /nfs/dbraw/zinc/27/68/16/1073276816.db2.gz TUWMKMJDJPVYLU-SPCJURDBSA-N 2 0 441.548 -0.560 20 0 IBADRP 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 1073276724 /nfs/dbraw/zinc/27/67/24/1073276724.db2.gz TUWMKMJDJPVYLU-WPECMILSSA-N 2 0 441.548 -0.560 20 0 IBADRP 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 1073276930 /nfs/dbraw/zinc/27/69/30/1073276930.db2.gz TUWMKMJDJPVYLU-ZAHIEGGZSA-N 2 0 441.548 -0.560 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1)C(N)=O ZINC001161092263 1073276900 /nfs/dbraw/zinc/27/69/00/1073276900.db2.gz YFIBPRCUYKLOHF-SUMWQHHRSA-N 2 0 427.509 -0.188 20 0 IBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117351 1073276835 /nfs/dbraw/zinc/27/68/35/1073276835.db2.gz HPLKCCLXTGGDGB-JYJNAYRXSA-N 2 0 425.484 -0.978 20 0 IBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117352 1073276912 /nfs/dbraw/zinc/27/69/12/1073276912.db2.gz HPLKCCLXTGGDGB-XHSDSOJGSA-N 2 0 425.484 -0.978 20 0 IBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117679 1073276778 /nfs/dbraw/zinc/27/67/78/1073276778.db2.gz RDGCJYITILREOJ-ULQDDVLXSA-N 2 0 439.511 -0.968 20 0 IBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117934 1073277299 /nfs/dbraw/zinc/27/72/99/1073277299.db2.gz XWVKULIMZGRBGC-JYJNAYRXSA-N 2 0 442.536 -0.245 20 0 IBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118218 1073277282 /nfs/dbraw/zinc/27/72/82/1073277282.db2.gz BLOKWCKMLZZJGZ-IECFSIQFSA-N 2 0 441.523 -0.504 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118240 1073277227 /nfs/dbraw/zinc/27/72/27/1073277227.db2.gz CUPKAPRWUGNKKG-KKUMJFAQSA-N 2 0 435.466 -0.027 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118241 1073277315 /nfs/dbraw/zinc/27/73/15/1073277315.db2.gz CUPKAPRWUGNKKG-ZNMIVQPWSA-N 2 0 435.466 -0.027 20 0 IBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118246 1073277288 /nfs/dbraw/zinc/27/72/88/1073277288.db2.gz DBOAHKWCHDBSDA-KKUMJFAQSA-N 2 0 431.484 -0.991 20 0 IBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118247 1073277324 /nfs/dbraw/zinc/27/73/24/1073277324.db2.gz DBOAHKWCHDBSDA-ZNMIVQPWSA-N 2 0 431.484 -0.991 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCSC34C[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118536 1073277241 /nfs/dbraw/zinc/27/72/41/1073277241.db2.gz HBJTZRPTAFSBPR-JYJNAYRXSA-N 2 0 443.564 -0.176 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCSC34C[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118537 1073277264 /nfs/dbraw/zinc/27/72/64/1073277264.db2.gz HBJTZRPTAFSBPR-XHSDSOJGSA-N 2 0 443.564 -0.176 20 0 IBADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118543 1073277278 /nfs/dbraw/zinc/27/72/78/1073277278.db2.gz HEUCZROWUWWELP-KFGODFMUSA-N 2 0 441.523 -0.504 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118617 1073277237 /nfs/dbraw/zinc/27/72/37/1073277237.db2.gz IDKHBEMLQFSVPS-JCECYMMASA-N 2 0 425.524 -0.026 20 0 IBADRP CN1CC[NH+](CCC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161118936 1073277676 /nfs/dbraw/zinc/27/76/76/1073277676.db2.gz JUPZCCRBJAKYQP-ROUUACIJSA-N 2 0 442.555 -0.634 20 0 IBADRP C[C@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]C[C@@H]1O ZINC001161118946 1073277719 /nfs/dbraw/zinc/27/77/19/1073277719.db2.gz KCEINWKQMCBRNI-FPXQBCRKSA-N 2 0 429.512 -0.911 20 0 IBADRP C[C@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]C[C@H]1O ZINC001161118948 1073277724 /nfs/dbraw/zinc/27/77/24/1073277724.db2.gz KCEINWKQMCBRNI-GGXPGOJBSA-N 2 0 429.512 -0.911 20 0 IBADRP C[C@@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]C[C@@H]1O ZINC001161118950 1073277749 /nfs/dbraw/zinc/27/77/49/1073277749.db2.gz KCEINWKQMCBRNI-IUVQAAGXSA-N 2 0 429.512 -0.911 20 0 IBADRP C[C@@]1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]C[C@H]1O ZINC001161118952 1073277695 /nfs/dbraw/zinc/27/76/95/1073277695.db2.gz KCEINWKQMCBRNI-YIOZNXECSA-N 2 0 429.512 -0.911 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118954 1073277707 /nfs/dbraw/zinc/27/77/07/1073277707.db2.gz KCRNWYXDUKQBCL-ULQDDVLXSA-N 3 0 430.544 -0.554 20 0 IBADRP O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119204 1073277621 /nfs/dbraw/zinc/27/76/21/1073277621.db2.gz LWRZNUKSKIDLFF-DOXZYTNZSA-N 2 0 440.495 -0.763 20 0 IBADRP O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119205 1073277735 /nfs/dbraw/zinc/27/77/35/1073277735.db2.gz LWRZNUKSKIDLFF-YZVOILCLSA-N 2 0 440.495 -0.763 20 0 IBADRP O=C(CNC1CC[NH2+]CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119269 1073277657 /nfs/dbraw/zinc/27/76/57/1073277657.db2.gz ONDXFHWSMLTBAG-IRXDYDNUSA-N 2 0 428.528 -0.930 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119597 1073277628 /nfs/dbraw/zinc/27/76/28/1073277628.db2.gz PUKDHBZPLKMNED-KFGODFMUSA-N 2 0 441.523 -0.504 20 0 IBADRP O=C(COC1CC[NH2+]CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119599 1073277712 /nfs/dbraw/zinc/27/77/12/1073277712.db2.gz PVYIDWJKENKMEX-RDJZCZTQSA-N 2 0 429.512 -0.503 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CC[C@H]4[NH2+]CC[C@H]4O3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119686 1073277752 /nfs/dbraw/zinc/27/77/52/1073277752.db2.gz SVMYFINMWJVKRS-IGKNDFSCSA-N 2 0 441.523 -0.362 20 0 IBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119902 1073277648 /nfs/dbraw/zinc/27/76/48/1073277648.db2.gz TVRIXRFHXYXSLA-BXWFABGCSA-N 2 0 429.512 -0.767 20 0 IBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119903 1073278031 /nfs/dbraw/zinc/27/80/31/1073278031.db2.gz TVRIXRFHXYXSLA-TXPKVOOTSA-N 2 0 429.512 -0.767 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119975 1073278097 /nfs/dbraw/zinc/27/80/97/1073278097.db2.gz WIIFNCXRUIHBAY-ZOFXXKQRSA-N 2 0 427.496 -0.894 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCC4(C[NH2+]C4)O3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161120111 1073278057 /nfs/dbraw/zinc/27/80/57/1073278057.db2.gz YCCOENNKGYPPGJ-HRCADAONSA-N 2 0 427.496 -0.750 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161120112 1073278070 /nfs/dbraw/zinc/27/80/70/1073278070.db2.gz YCCOENNKGYPPGJ-JYJNAYRXSA-N 2 0 427.496 -0.750 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]4CCO[C@H]43)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122603 1073278350 /nfs/dbraw/zinc/27/83/50/1073278350.db2.gz CBOSJITXWPYTNZ-IECFSIQFSA-N 2 0 441.523 -0.647 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]4CCO[C@@H]43)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122604 1073278422 /nfs/dbraw/zinc/27/84/22/1073278422.db2.gz CBOSJITXWPYTNZ-JCECYMMASA-N 2 0 441.523 -0.647 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]4CCO[C@H]43)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122605 1073278384 /nfs/dbraw/zinc/27/83/84/1073278384.db2.gz CBOSJITXWPYTNZ-MDMSPXHWSA-N 2 0 441.523 -0.647 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]4CCO[C@@H]43)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122606 1073278468 /nfs/dbraw/zinc/27/84/68/1073278468.db2.gz CBOSJITXWPYTNZ-WKULXVSPSA-N 2 0 441.523 -0.647 20 0 IBADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122608 1073278460 /nfs/dbraw/zinc/27/84/60/1073278460.db2.gz CCWPLXSYZYWTTR-ILXRZTDVSA-N 2 0 435.466 -0.027 20 0 IBADRP O=C(C[C@H]1C[NH2+]CC1(F)F)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122609 1073278409 /nfs/dbraw/zinc/27/84/09/1073278409.db2.gz CCWPLXSYZYWTTR-KKUMJFAQSA-N 2 0 435.466 -0.027 20 0 IBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122622 1073278457 /nfs/dbraw/zinc/27/84/57/1073278457.db2.gz CZGSKUROVADBSX-LUKYLMHMSA-N 2 0 429.512 -0.504 20 0 IBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122623 1073278484 /nfs/dbraw/zinc/27/84/84/1073278484.db2.gz CZGSKUROVADBSX-QAETUUGQSA-N 2 0 429.512 -0.504 20 0 IBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122624 1073278469 /nfs/dbraw/zinc/27/84/69/1073278469.db2.gz CZGSKUROVADBSX-VVLHAWIVSA-N 2 0 429.512 -0.504 20 0 IBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122625 1073278358 /nfs/dbraw/zinc/27/83/58/1073278358.db2.gz CZGSKUROVADBSX-YVSFHVDLSA-N 2 0 429.512 -0.504 20 0 IBADRP C[NH2+][C@H]1CCCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122843 1073278438 /nfs/dbraw/zinc/27/84/38/1073278438.db2.gz MGNNNOOITTYOOH-BZSNNMDCSA-N 2 0 442.555 -0.588 20 0 IBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122944 1073278340 /nfs/dbraw/zinc/27/83/40/1073278340.db2.gz MGNNNOOITTYOOH-SQNIBIBYSA-N 2 0 442.555 -0.588 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123001 1073278473 /nfs/dbraw/zinc/27/84/73/1073278473.db2.gz NTMHKVNHDHPCEM-JYJNAYRXSA-N 2 0 431.528 -0.129 20 0 IBADRP C[NH+]1CCC(O)(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161123058 1073278744 /nfs/dbraw/zinc/27/87/44/1073278744.db2.gz OQSNKUBQCHMMFA-HOTGVXAUSA-N 2 0 429.512 -0.815 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3noc4c3C[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123297 1073278756 /nfs/dbraw/zinc/27/87/56/1073278756.db2.gz CSCNYVREOISVJI-ZFWWWQNUSA-N 2 0 438.479 -0.324 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3ncn4c3C[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123338 1073278832 /nfs/dbraw/zinc/27/88/32/1073278832.db2.gz FSWZVSCOOBWFRS-GJZGRUSLSA-N 2 0 437.495 -0.658 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123583 1073278850 /nfs/dbraw/zinc/27/88/50/1073278850.db2.gz QJUBHWHCIOGGMI-ULQDDVLXSA-N 3 0 430.544 -0.425 20 0 IBADRP [NH3+]C1(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCOCC1 ZINC001161123587 1073278778 /nfs/dbraw/zinc/27/87/78/1073278778.db2.gz QMKFKUJOYYZBSZ-HOTGVXAUSA-N 2 0 429.512 -0.373 20 0 IBADRP [NH3+][C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CCOCC1 ZINC001161123700 1073278828 /nfs/dbraw/zinc/27/88/28/1073278828.db2.gz RQFBHJAWGCJWMF-ULQDDVLXSA-N 2 0 429.512 -0.517 20 0 IBADRP CN(CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161123801 1073278788 /nfs/dbraw/zinc/27/87/88/1073278788.db2.gz SMQPDXJRTQEBMN-BZSNNMDCSA-N 2 0 442.555 -0.588 20 0 IBADRP CN(CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161123806 1073278825 /nfs/dbraw/zinc/27/88/25/1073278825.db2.gz SMQPDXJRTQEBMN-SQNIBIBYSA-N 2 0 442.555 -0.588 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124010 1073278794 /nfs/dbraw/zinc/27/87/94/1073278794.db2.gz MQYBDVUSRRULNG-BBRMVZONSA-N 2 0 437.495 -0.589 20 0 IBADRP NC(=[NH2+])NCCCCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124470 1073278784 /nfs/dbraw/zinc/27/87/84/1073278784.db2.gz WPKWWMVDDXKGPD-GJZGRUSLSA-N 2 0 429.516 -0.618 20 0 IBADRP [NH3+][C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CC[NH2+]CC1 ZINC001161124528 1073279302 /nfs/dbraw/zinc/27/93/02/1073279302.db2.gz YBCYTCQKVAHRAL-ULQDDVLXSA-N 3 0 428.528 -0.944 20 0 IBADRP [NH3+][C@@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CC[NH2+]CC1 ZINC001161124529 1073279191 /nfs/dbraw/zinc/27/91/91/1073279191.db2.gz YBCYTCQKVAHRAL-YESZJQIVSA-N 3 0 428.528 -0.944 20 0 IBADRP [NH3+][C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CCC(O)CC1 ZINC001161124530 1073279127 /nfs/dbraw/zinc/27/91/27/1073279127.db2.gz YEDNZTVDIZBHBO-YKFHYGQGSA-N 2 0 443.539 -0.393 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3n[nH]c4c3CC[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161125173 1073279153 /nfs/dbraw/zinc/27/91/53/1073279153.db2.gz XAKWDLFQGUFLFT-ZFWWWQNUSA-N 2 0 437.495 -0.589 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152302 1073280359 /nfs/dbraw/zinc/28/03/59/1073280359.db2.gz GAATXWHMJLAWOQ-ONGXEEELSA-N 2 0 431.419 -0.712 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1)C(N)=O ZINC001161152656 1073280168 /nfs/dbraw/zinc/28/01/68/1073280168.db2.gz QESDMDOOTVQOHP-CMPLNLGQSA-N 2 0 445.446 -0.322 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)c2nonc21 ZINC001161152916 1073280350 /nfs/dbraw/zinc/28/03/50/1073280350.db2.gz BFZSSIDVXSWPGB-ZDUSSCGKSA-N 2 0 439.542 -0.422 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)c2nonc21 ZINC001161153716 1073280647 /nfs/dbraw/zinc/28/06/47/1073280647.db2.gz OPJJTYWVPODYDT-GFCCVEGCSA-N 2 0 425.515 -0.812 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)c2nonc21 ZINC001161153717 1073281093 /nfs/dbraw/zinc/28/10/93/1073281093.db2.gz OPJJTYWVPODYDT-LBPRGKRZSA-N 2 0 425.515 -0.812 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C[NH2+]CCC[NH3+])CC2)c2nonc21 ZINC001161154039 1073281125 /nfs/dbraw/zinc/28/11/25/1073281125.db2.gz SPISOEMKVOEWJY-UHFFFAOYSA-N 2 0 425.515 -0.940 20 0 IBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001161158703 1073281549 /nfs/dbraw/zinc/28/15/49/1073281549.db2.gz MMRIMXRMYRMDBD-ULQDDVLXSA-N 2 0 441.573 -0.404 20 0 IBADRP CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161159162 1073281609 /nfs/dbraw/zinc/28/16/09/1073281609.db2.gz WUSCRGSLVXTABF-HOTGVXAUSA-N 2 0 427.546 -0.874 20 0 IBADRP CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001161171957 1073281995 /nfs/dbraw/zinc/28/19/95/1073281995.db2.gz RHGXVTOXUNVIAE-AEFFLSMTSA-N 2 0 445.524 -0.444 20 0 IBADRP CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001161171958 1073282173 /nfs/dbraw/zinc/28/21/73/1073282173.db2.gz RHGXVTOXUNVIAE-FUHWJXTLSA-N 2 0 445.524 -0.444 20 0 IBADRP CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001161171959 1073282068 /nfs/dbraw/zinc/28/20/68/1073282068.db2.gz RHGXVTOXUNVIAE-SJLPKXTDSA-N 2 0 445.524 -0.444 20 0 IBADRP CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001161171960 1073282117 /nfs/dbraw/zinc/28/21/17/1073282117.db2.gz RHGXVTOXUNVIAE-WMZOPIPTSA-N 2 0 445.524 -0.444 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161175296 1073282025 /nfs/dbraw/zinc/28/20/25/1073282025.db2.gz KOTACCUPWNHAJC-ROUUACIJSA-N 2 0 439.601 -0.309 20 0 IBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197105 1073282405 /nfs/dbraw/zinc/28/24/05/1073282405.db2.gz ZPTDRUKTDVCBEZ-GOSISDBHSA-N 2 0 428.599 -0.686 20 0 IBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197106 1073282518 /nfs/dbraw/zinc/28/25/18/1073282518.db2.gz ZPTDRUKTDVCBEZ-SFHVURJKSA-N 2 0 428.599 -0.686 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198730 1073282438 /nfs/dbraw/zinc/28/24/38/1073282438.db2.gz VWTUMFNRHWEKHQ-IBGZPJMESA-N 2 0 441.617 -0.205 20 0 IBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)COC1(C)C ZINC001161198829 1073282459 /nfs/dbraw/zinc/28/24/59/1073282459.db2.gz ZPFQYMOGXKHEGG-HKUYNNGSSA-N 2 0 439.601 -0.152 20 0 IBADRP COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)cc1 ZINC001161268840 1073283512 /nfs/dbraw/zinc/28/35/12/1073283512.db2.gz MXNVLMYQZOMTRF-IBGZPJMESA-N 2 0 439.582 -0.285 20 0 IBADRP COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)cc1 ZINC001161268841 1073283399 /nfs/dbraw/zinc/28/33/99/1073283399.db2.gz MXNVLMYQZOMTRF-LJQANCHMSA-N 2 0 439.582 -0.285 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269967 1073283439 /nfs/dbraw/zinc/28/34/39/1073283439.db2.gz OXJGPZICRBFDNI-ROUUACIJSA-N 2 0 443.614 -0.150 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270122 1073283523 /nfs/dbraw/zinc/28/35/23/1073283523.db2.gz RGVDOBSWMVNDHM-ROUUACIJSA-N 2 0 438.573 -0.534 20 0 IBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161276227 1073283474 /nfs/dbraw/zinc/28/34/74/1073283474.db2.gz RWRUNYDTZQDBLA-JBACZVJFSA-N 2 0 441.532 -0.085 20 0 IBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001161308425 1073284607 /nfs/dbraw/zinc/28/46/07/1073284607.db2.gz CDMMRRRICYLSFM-OALUTQOASA-N 2 0 427.505 -0.209 20 0 IBADRP COc1cc(C)nc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C2CC[NH2+]CC2)n1 ZINC001161308572 1073284657 /nfs/dbraw/zinc/28/46/57/1073284657.db2.gz DPYCCFDVKBJXJA-HOCLYGCPSA-N 2 0 447.540 -0.667 20 0 IBADRP COc1cc(C)nc(N(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C2CC[NH2+]CC2)n1 ZINC001161309274 1073284737 /nfs/dbraw/zinc/28/47/37/1073284737.db2.gz OAHYFPVOBZBPHB-HNNXBMFYSA-N 2 0 427.513 -0.184 20 0 IBADRP COc1cc(C)nc(N(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C2CC[NH2+]CC2)n1 ZINC001161309285 1073284642 /nfs/dbraw/zinc/28/46/42/1073284642.db2.gz OAHYFPVOBZBPHB-OAHLLOKOSA-N 2 0 427.513 -0.184 20 0 IBADRP CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)[C@@H]1CCC[NH2+]C1 ZINC001161331204 1073285137 /nfs/dbraw/zinc/28/51/37/1073285137.db2.gz UEIDYPZWJXBEGX-KRXQYRFLSA-N 2 0 429.537 -0.512 20 0 IBADRP CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)[C@H]1CCC[NH2+]C1 ZINC001161331205 1073285286 /nfs/dbraw/zinc/28/52/86/1073285286.db2.gz UEIDYPZWJXBEGX-XSWJXKHESA-N 2 0 429.537 -0.512 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C(C)C)[C@H]1CC[NH2+]C1)C(=O)CF ZINC001161352951 1073285103 /nfs/dbraw/zinc/28/51/03/1073285103.db2.gz IRRNWJYNRLREML-XSWJXKHESA-N 2 0 429.537 -0.513 20 0 IBADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161353996 1073285246 /nfs/dbraw/zinc/28/52/46/1073285246.db2.gz HDPGZJYIMOGYJX-KRWDZBQOSA-N 2 0 447.561 -0.052 20 0 IBADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354001 1073285126 /nfs/dbraw/zinc/28/51/26/1073285126.db2.gz HDPGZJYIMOGYJX-QGZVFWFLSA-N 2 0 447.561 -0.052 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354191 1073285206 /nfs/dbraw/zinc/28/52/06/1073285206.db2.gz IZZDZFLQJXFBDH-UHFFFAOYSA-N 2 0 445.567 -0.948 20 0 IBADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161360189 1073285227 /nfs/dbraw/zinc/28/52/27/1073285227.db2.gz VISQVDRCLLGRMG-GOSISDBHSA-N 2 0 436.582 -0.418 20 0 IBADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161360190 1073285201 /nfs/dbraw/zinc/28/52/01/1073285201.db2.gz VISQVDRCLLGRMG-SFHVURJKSA-N 2 0 436.582 -0.418 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380568 1073285237 /nfs/dbraw/zinc/28/52/37/1073285237.db2.gz KVBACTJWTZIQFV-FHWLQOOXSA-N 2 0 436.601 -0.591 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380573 1073285264 /nfs/dbraw/zinc/28/52/64/1073285264.db2.gz KVBACTJWTZIQFV-QYZOEREBSA-N 2 0 436.601 -0.591 20 0 IBADRP COc1cc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161385775 1073285531 /nfs/dbraw/zinc/28/55/31/1073285531.db2.gz IXYHPUKUEUMCEP-YOEHRIQHSA-N 2 0 432.525 -0.370 20 0 IBADRP COc1ccnc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C2CC[NH2+]CC2)c1 ZINC001161386818 1073285554 /nfs/dbraw/zinc/28/55/54/1073285554.db2.gz WEYPLTAJPSVDFL-YOEHRIQHSA-N 2 0 432.525 -0.370 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161388002 1073285578 /nfs/dbraw/zinc/28/55/78/1073285578.db2.gz HGGUOJHDSAOLGY-FHWLQOOXSA-N 2 0 437.585 -0.291 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161388005 1073285601 /nfs/dbraw/zinc/28/56/01/1073285601.db2.gz HGGUOJHDSAOLGY-QYZOEREBSA-N 2 0 437.585 -0.291 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(=O)CF ZINC001161414352 1073285978 /nfs/dbraw/zinc/28/59/78/1073285978.db2.gz VIQANTURQHSMPK-BGLWDAMLSA-N 2 0 427.521 -0.916 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(=O)CF ZINC001161414353 1073286048 /nfs/dbraw/zinc/28/60/48/1073286048.db2.gz VIQANTURQHSMPK-LLRYKLARSA-N 2 0 427.521 -0.916 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(=O)CF ZINC001161414354 1073286016 /nfs/dbraw/zinc/28/60/16/1073286016.db2.gz VIQANTURQHSMPK-XFEXQEHJSA-N 2 0 427.521 -0.916 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(=O)CF ZINC001161414355 1073285925 /nfs/dbraw/zinc/28/59/25/1073285925.db2.gz VIQANTURQHSMPK-ZOTZHQQFSA-N 2 0 427.521 -0.916 20 0 IBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])CC2 ZINC001161482621 1073287205 /nfs/dbraw/zinc/28/72/05/1073287205.db2.gz WZJYKHOVDBJKQI-NJNPRVFISA-N 2 0 427.505 -0.093 20 0 IBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])CC2 ZINC001161482622 1073287236 /nfs/dbraw/zinc/28/72/36/1073287236.db2.gz WZJYKHOVDBJKQI-NPPFBWRTSA-N 2 0 427.505 -0.093 20 0 IBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])CC2 ZINC001161482623 1073287216 /nfs/dbraw/zinc/28/72/16/1073287216.db2.gz WZJYKHOVDBJKQI-SPEDKVCISA-N 2 0 427.505 -0.093 20 0 IBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])CC2 ZINC001161482624 1073287252 /nfs/dbraw/zinc/28/72/52/1073287252.db2.gz WZJYKHOVDBJKQI-SVMVAKDDSA-N 2 0 427.505 -0.093 20 0 IBADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ccc(C[NH+]2CCCC2)cn1 ZINC001161485161 1073287641 /nfs/dbraw/zinc/28/76/41/1073287641.db2.gz AIDZZMGIRNIBMZ-SQWLQELKSA-N 2 0 426.481 -0.238 20 0 IBADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001161485443 1073287848 /nfs/dbraw/zinc/28/78/48/1073287848.db2.gz HZKHPXKNWMXEBL-MRCXROJRSA-N 2 0 432.872 -0.534 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](C)(C[NH3+])C1)C(=O)CF ZINC001161489154 1073288259 /nfs/dbraw/zinc/28/82/59/1073288259.db2.gz QKTPAZBDEGLKKV-CXIBIASBSA-N 2 0 429.537 -0.525 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](C)(C[NH3+])C1)C(=O)CF ZINC001161489156 1073288411 /nfs/dbraw/zinc/28/84/11/1073288411.db2.gz QKTPAZBDEGLKKV-FGTCXIJOSA-N 2 0 429.537 -0.525 20 0 IBADRP 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 1073288919 /nfs/dbraw/zinc/28/89/19/1073288919.db2.gz XCQHSQYNFUSDFG-CAMMJAKZSA-N 2 0 437.585 -0.213 20 0 IBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cccc(N2CCC([NH3+])CC2)n1 ZINC001162845034 1073300334 /nfs/dbraw/zinc/30/03/34/1073300334.db2.gz FWEOHALDRJPBRR-IRXDYDNUSA-N 2 0 426.525 -0.459 20 0 IBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001162845053 1073300250 /nfs/dbraw/zinc/30/02/50/1073300250.db2.gz GHFNLMCZMGPSQV-IRXDYDNUSA-N 2 0 442.524 -0.613 20 0 IBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001162846090 1073300917 /nfs/dbraw/zinc/30/09/17/1073300917.db2.gz QLDSCASGQVLIBF-HOTGVXAUSA-N 2 0 428.497 -0.861 20 0 IBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001162857096 1073301316 /nfs/dbraw/zinc/30/13/16/1073301316.db2.gz LKLZOOMXCDBADQ-OALUTQOASA-N 2 0 441.536 -0.008 20 0 IBADRP C[N@@H+]1CCc2nc(Cl)nc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)c2C1 ZINC001162857442 1073301331 /nfs/dbraw/zinc/30/13/31/1073301331.db2.gz SOAIURYLZIOIIT-ZFWWWQNUSA-N 2 0 432.916 -0.350 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc(C[NH3+])ncn1)C(N)=O ZINC001162858820 1073301394 /nfs/dbraw/zinc/30/13/94/1073301394.db2.gz UYGCAXNCVIWXBH-BQFCYCMXSA-N 2 0 448.572 -0.538 20 0 IBADRP NC(=O)[C@H](Cc1cn(-c2cc(C[NH3+])ncn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163427885 1073303593 /nfs/dbraw/zinc/30/35/93/1073303593.db2.gz NKSYXCZXRCVDQI-ROUUACIJSA-N 2 0 447.503 -0.315 20 0 IBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164751662 720959408 /nfs/dbraw/zinc/95/94/08/720959408.db2.gz RRWGPDRAIAZVAZ-UHFFFAOYSA-N 2 0 427.509 -0.031 20 0 IBADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]2C1 ZINC001164848878 720832927 /nfs/dbraw/zinc/83/29/27/720832927.db2.gz NRDXNGVVIWUGPY-CRAIPNDOSA-N 2 0 439.582 -0.258 20 0 IBADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@H]2C1 ZINC001164848879 720832712 /nfs/dbraw/zinc/83/27/12/720832712.db2.gz NRDXNGVVIWUGPY-MAUKXSAKSA-N 2 0 439.582 -0.258 20 0 IBADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]2C1 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IBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]1C2 ZINC001167227990 1070862518 /nfs/dbraw/zinc/86/25/18/1070862518.db2.gz AJDLBLZXQPGCCQ-FVMRLONNSA-N 2 0 435.550 -0.597 20 0 IBADRP 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 1072139091 /nfs/dbraw/zinc/13/90/91/1072139091.db2.gz XGPCGGFZRNFUIL-NBBXCBGESA-N 2 0 445.524 -0.669 20 0 IBADRP CC1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001168209469 1072880545 /nfs/dbraw/zinc/88/05/45/1072880545.db2.gz WIBSPNNKMSMQQF-KXIUCKCTSA-N 2 0 435.573 -0.281 20 0 IBADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168316151 1073019750 /nfs/dbraw/zinc/01/97/50/1073019750.db2.gz XFKQXYJLKCANLP-TXIZYHGNSA-N 2 0 433.553 -0.128 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001169183360 1073597158 /nfs/dbraw/zinc/59/71/58/1073597158.db2.gz 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CC(=O)N1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169588562 1073602928 /nfs/dbraw/zinc/60/29/28/1073602928.db2.gz KBVMIYVDSYHTGQ-NRFANRHFSA-N 2 0 449.589 -0.355 20 0 IBADRP CC(=O)N1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169588563 1073602942 /nfs/dbraw/zinc/60/29/42/1073602942.db2.gz KBVMIYVDSYHTGQ-OAQYLSRUSA-N 2 0 449.589 -0.355 20 0 IBADRP CC(=O)N1CCC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001169598514 1073602884 /nfs/dbraw/zinc/60/28/84/1073602884.db2.gz WUUIRHUDUIBPFI-FHWLQOOXSA-N 2 0 445.568 -0.568 20 0 IBADRP CC(=O)N1CCC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001169598515 1073602833 /nfs/dbraw/zinc/60/28/33/1073602833.db2.gz WUUIRHUDUIBPFI-QYZOEREBSA-N 2 0 445.568 -0.568 20 0 IBADRP CS(=O)(=O)C1CCC([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001169860782 1073606874 /nfs/dbraw/zinc/60/68/74/1073606874.db2.gz CKVPLPVUGDLZKJ-UHFFFAOYSA-N 2 0 440.603 -0.027 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(C[NH3+])ccn1)c(N)nc2=O ZINC001169977785 1073631941 /nfs/dbraw/zinc/63/19/41/1073631941.db2.gz QWFIZRZCIIENFE-AWEZNQCLSA-N 2 0 430.469 -0.481 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccnc(C[NH3+])c1)c(N)nc2=O ZINC001169979587 1073634275 /nfs/dbraw/zinc/63/42/75/1073634275.db2.gz DRQCYUKCXVVIIX-AWEZNQCLSA-N 2 0 430.469 -0.481 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(C[NH3+])n1)c(N)nc2=O ZINC001169980025 1073633711 /nfs/dbraw/zinc/63/37/11/1073633711.db2.gz LMJMMCDJBCNBHT-AWEZNQCLSA-N 2 0 430.469 -0.481 20 0 IBADRP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001170540576 1073937517 /nfs/dbraw/zinc/93/75/17/1073937517.db2.gz RXRRFGRNRWTTLS-BDXSIMOUSA-N 2 0 446.552 -0.238 20 0 IBADRP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001170540578 1073937328 /nfs/dbraw/zinc/93/73/28/1073937328.db2.gz RXRRFGRNRWTTLS-OWSLCNJRSA-N 2 0 446.552 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ZUXYHTCAPXLQJE-HOCLYGCPSA-N 2 0 429.481 -0.148 20 0 IBADRP COC(=O)c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001170780092 1074019593 /nfs/dbraw/zinc/01/95/93/1074019593.db2.gz ZUXYHTCAPXLQJE-ZBFHGGJFSA-N 2 0 429.481 -0.148 20 0 IBADRP N[C@H]1[C@H](n2ccc(Nc3ccc(C[NH+]4CCC(C[NH3+])CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266082 1074088977 /nfs/dbraw/zinc/08/89/77/1074088977.db2.gz BSGUQPJKKDTWGB-CWJKEVGVSA-N 2 0 444.536 -0.265 20 0 IBADRP Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001171385841 1074117648 /nfs/dbraw/zinc/11/76/48/1074117648.db2.gz RMILYIIKHSVFET-IAGOWNOFSA-N 2 0 441.598 -0.143 20 0 IBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C[C@H]1C[NH+](C)C ZINC001171392180 1074118405 /nfs/dbraw/zinc/11/84/05/1074118405.db2.gz FCJAGRIXPFRBBC-HUUCEWRRSA-N 2 0 433.538 -0.091 20 0 IBADRP C[NH+]1C(C)(C)CC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1(C)C ZINC001171621874 1074123848 /nfs/dbraw/zinc/12/38/48/1074123848.db2.gz REJBGOFGIVNMDF-CTWCOEIASA-N 2 0 435.529 -0.423 20 0 IBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172032903 1074126285 /nfs/dbraw/zinc/12/62/85/1074126285.db2.gz SLWXPKQGXNRXTH-FQEVSTJZSA-N 2 0 449.589 -0.355 20 0 IBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172032908 1074126500 /nfs/dbraw/zinc/12/65/00/1074126500.db2.gz SLWXPKQGXNRXTH-HXUWFJFHSA-N 2 0 449.589 -0.355 20 0 IBADRP CCN1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1=O ZINC001172037878 1074126429 /nfs/dbraw/zinc/12/64/29/1074126429.db2.gz AWBSXLGQVOLGNE-BZSNNMDCSA-N 2 0 445.568 -0.568 20 0 IBADRP CCN1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1=O ZINC001172037884 1074126358 /nfs/dbraw/zinc/12/63/58/1074126358.db2.gz AWBSXLGQVOLGNE-SQNIBIBYSA-N 2 0 445.568 -0.568 20 0 IBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236811 1074127523 /nfs/dbraw/zinc/12/75/23/1074127523.db2.gz NLPDFAJIKCIGEC-JEQQUTEPSA-N 2 0 428.537 -0.093 20 0 IBADRP C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H]1C ZINC001172368125 1074127549 /nfs/dbraw/zinc/12/75/49/1074127549.db2.gz NSIAYIMTJXSPBR-LIEJCIORSA-N 2 0 449.600 -0.035 20 0 IBADRP C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H]1C ZINC001172368268 1074127370 /nfs/dbraw/zinc/12/73/70/1074127370.db2.gz NSIAYIMTJXSPBR-PHAGKYIGSA-N 2 0 449.600 -0.035 20 0 IBADRP C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H]1C ZINC001172368270 1074127568 /nfs/dbraw/zinc/12/75/68/1074127568.db2.gz NSIAYIMTJXSPBR-PTGCCPEKSA-N 2 0 449.600 -0.035 20 0 IBADRP C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H]1C ZINC001172368273 1074127538 /nfs/dbraw/zinc/12/75/38/1074127538.db2.gz NSIAYIMTJXSPBR-UYKLPWQDSA-N 2 0 449.600 -0.035 20 0 IBADRP CC[C@@H](CC(C)C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172398577 1074127412 /nfs/dbraw/zinc/12/74/12/1074127412.db2.gz GBCPGVCIVSFWNA-BZSNNMDCSA-N 2 0 437.589 -0.035 20 0 IBADRP CC[C@H](CC(C)C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172398580 1074127559 /nfs/dbraw/zinc/12/75/59/1074127559.db2.gz GBCPGVCIVSFWNA-SQNIBIBYSA-N 2 0 437.589 -0.035 20 0 IBADRP CC[NH+](CC)C1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001173103969 1074129954 /nfs/dbraw/zinc/12/99/54/1074129954.db2.gz YDFMKGMJLUPCCB-DSVDKILTSA-N 2 0 435.529 -0.421 20 0 IBADRP CC[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270798 1074130429 /nfs/dbraw/zinc/13/04/29/1074130429.db2.gz DRVMXPSDEMFDPX-BGTYHANMSA-N 2 0 435.573 -0.281 20 0 IBADRP CC[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270806 1074130244 /nfs/dbraw/zinc/13/02/44/1074130244.db2.gz DRVMXPSDEMFDPX-DKIMLUQUSA-N 2 0 435.573 -0.281 20 0 IBADRP CC[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270808 1074130328 /nfs/dbraw/zinc/13/03/28/1074130328.db2.gz DRVMXPSDEMFDPX-RANZSIQMSA-N 2 0 435.573 -0.281 20 0 IBADRP CC[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173270810 1074130228 /nfs/dbraw/zinc/13/02/28/1074130228.db2.gz DRVMXPSDEMFDPX-UBDQQSCGSA-N 2 0 435.573 -0.281 20 0 IBADRP CCSC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173301894 1074130206 /nfs/dbraw/zinc/13/02/06/1074130206.db2.gz MJNVRAZDNPGPPF-BPUTZDHNSA-N 2 0 441.602 -0.718 20 0 IBADRP CCSC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173301899 1074130361 /nfs/dbraw/zinc/13/03/61/1074130361.db2.gz MJNVRAZDNPGPPF-KBMXLJTQSA-N 2 0 441.602 -0.718 20 0 IBADRP CCN1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001173358144 1074131061 /nfs/dbraw/zinc/13/10/61/1074131061.db2.gz NMMICXCFCCTSMC-VJANTYMQSA-N 2 0 438.617 -0.215 20 0 IBADRP CCN1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001173358155 1074131113 /nfs/dbraw/zinc/13/11/13/1074131113.db2.gz NMMICXCFCCTSMC-XWSJACJDSA-N 2 0 438.617 -0.215 20 0 IBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[C@@H]1C(=O)OC ZINC001173574820 1074131628 /nfs/dbraw/zinc/13/16/28/1074131628.db2.gz BGXVCYRXZUGNJJ-BCDXTJNWSA-N 2 0 438.569 -0.103 20 0 IBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C[C@@H]1C(=O)OC ZINC001173574822 1074131459 /nfs/dbraw/zinc/13/14/59/1074131459.db2.gz BGXVCYRXZUGNJJ-NNZMDNLPSA-N 2 0 438.569 -0.103 20 0 IBADRP 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 1074132112 /nfs/dbraw/zinc/13/21/12/1074132112.db2.gz UWGKKPOLYCAMRF-HSFUPAIVSA-N 2 0 425.526 -0.162 20 0 IBADRP 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 1074132053 /nfs/dbraw/zinc/13/20/53/1074132053.db2.gz UWGKKPOLYCAMRF-UYTYNIKBSA-N 2 0 425.526 -0.162 20 0 IBADRP CN1CCN(CC(=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 ZINC001178953078 1074180193 /nfs/dbraw/zinc/18/01/93/1074180193.db2.gz BGNOBULYNDNNQB-CAVMOMJPSA-N 2 0 429.606 -0.471 20 0 IBADRP CN1CCN(CC(=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 ZINC001178953079 1074180092 /nfs/dbraw/zinc/18/00/92/1074180092.db2.gz BGNOBULYNDNNQB-HROONELDSA-N 2 0 429.606 -0.471 20 0 IBADRP CN1CCN(CC(=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 ZINC001178953080 1074180139 /nfs/dbraw/zinc/18/01/39/1074180139.db2.gz BGNOBULYNDNNQB-TXTPUJOMSA-N 2 0 429.606 -0.471 20 0 IBADRP CN1CCN(CC(=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 ZINC001178953081 1074180224 /nfs/dbraw/zinc/18/02/24/1074180224.db2.gz BGNOBULYNDNNQB-VDWQKOAOSA-N 2 0 429.606 -0.471 20 0 IBADRP CN1N=C(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+])CCC1=O ZINC001180445551 1074198898 /nfs/dbraw/zinc/19/88/98/1074198898.db2.gz KSXWARIEALPQIH-KMUPADOHSA-N 2 0 427.546 -0.110 20 0 IBADRP CN1N=C(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+])CCC1=O ZINC001180445552 1074198984 /nfs/dbraw/zinc/19/89/84/1074198984.db2.gz KSXWARIEALPQIH-LMZXCRDUSA-N 2 0 427.546 -0.110 20 0 IBADRP CN1N=C(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+])CCC1=O ZINC001180445553 1074198937 /nfs/dbraw/zinc/19/89/37/1074198937.db2.gz KSXWARIEALPQIH-PKKRGFRTSA-N 2 0 427.546 -0.110 20 0 IBADRP CN1N=C(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+])CCC1=O ZINC001180445554 1074199019 /nfs/dbraw/zinc/19/90/19/1074199019.db2.gz KSXWARIEALPQIH-UBQXRGRESA-N 2 0 427.546 -0.110 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CSCC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001180555219 1074201086 /nfs/dbraw/zinc/20/10/86/1074201086.db2.gz OMODAJVWGOAKJU-BMEQTGIOSA-N 2 0 432.587 -0.486 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CSCC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001180555225 1074201109 /nfs/dbraw/zinc/20/11/09/1074201109.db2.gz OMODAJVWGOAKJU-GIHPLKMASA-N 2 0 432.587 -0.486 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CSCC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001180555228 1074201038 /nfs/dbraw/zinc/20/10/38/1074201038.db2.gz OMODAJVWGOAKJU-LJVDNRPASA-N 2 0 432.587 -0.486 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CSCC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001180555233 1074201003 /nfs/dbraw/zinc/20/10/03/1074201003.db2.gz OMODAJVWGOAKJU-RMGSKACKSA-N 2 0 432.587 -0.486 20 0 IBADRP Cn1nnc2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001180609351 1074203259 /nfs/dbraw/zinc/20/32/59/1074203259.db2.gz SXYXXUJXWZNADA-IBGZPJMESA-N 2 0 447.584 -0.059 20 0 IBADRP Cn1nnc2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001180609352 1074203185 /nfs/dbraw/zinc/20/31/85/1074203185.db2.gz SXYXXUJXWZNADA-LJQANCHMSA-N 2 0 447.584 -0.059 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001180609804 1074203652 /nfs/dbraw/zinc/20/36/52/1074203652.db2.gz YQBKXJNJMRMBIF-UHFFFAOYSA-N 2 0 436.601 -0.729 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+](C)C)C(N)=O ZINC001180866086 1074206617 /nfs/dbraw/zinc/20/66/17/1074206617.db2.gz FUTCNOVZSCLFKW-QAETUUGQSA-N 2 0 440.589 -0.833 20 0 IBADRP CN1C(=O)C[C@@H](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+])NC1=O ZINC001181134964 1074209921 /nfs/dbraw/zinc/20/99/21/1074209921.db2.gz IJPNASQXAFRQMD-NJPPPDQISA-N 2 0 443.545 -0.778 20 0 IBADRP CN1C(=O)C[C@@H](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+])NC1=O ZINC001181134965 1074209915 /nfs/dbraw/zinc/20/99/15/1074209915.db2.gz IJPNASQXAFRQMD-SEKBFNONSA-N 2 0 443.545 -0.778 20 0 IBADRP CN1C(=O)C[C@@H](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+])NC1=O ZINC001181134966 1074209843 /nfs/dbraw/zinc/20/98/43/1074209843.db2.gz IJPNASQXAFRQMD-VOVIHXRDSA-N 2 0 443.545 -0.778 20 0 IBADRP CN1C(=O)C[C@@H](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+])NC1=O ZINC001181134967 1074209900 /nfs/dbraw/zinc/20/99/00/1074209900.db2.gz IJPNASQXAFRQMD-WIELXFRGSA-N 2 0 443.545 -0.778 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2(O)CC[NH+](C)CC2)c2nonc21 ZINC001182035809 1074218174 /nfs/dbraw/zinc/21/81/74/1074218174.db2.gz GCQRPYLVTGGNMP-UHFFFAOYSA-N 2 0 426.499 -0.779 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(O)CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001182036481 1074218062 /nfs/dbraw/zinc/21/80/62/1074218062.db2.gz SWBGQVOGRWIIRC-BRFLTPSNSA-N 3 0 430.590 -0.261 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(O)CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001182036486 1074218123 /nfs/dbraw/zinc/21/81/23/1074218123.db2.gz SWBGQVOGRWIIRC-CWLGOENISA-N 3 0 430.590 -0.261 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(O)CC[NH+](C)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001182036488 1074218187 /nfs/dbraw/zinc/21/81/87/1074218187.db2.gz SWBGQVOGRWIIRC-WSRJKRBPSA-N 3 0 430.590 -0.261 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(O)CC[NH+](C)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001182036490 1074218088 /nfs/dbraw/zinc/21/80/88/1074218088.db2.gz SWBGQVOGRWIIRC-YTGMWSOZSA-N 3 0 430.590 -0.261 20 0 IBADRP CC(=O)N[C@H](CCO)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+] ZINC001182140436 1074219942 /nfs/dbraw/zinc/21/99/42/1074219942.db2.gz XZONYRYFXXWQNQ-AMQNGPJSSA-N 2 0 432.562 -0.831 20 0 IBADRP CC(=O)N[C@H](CCO)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+] ZINC001182140440 1074219930 /nfs/dbraw/zinc/21/99/30/1074219930.db2.gz XZONYRYFXXWQNQ-JOSHXOIJSA-N 2 0 432.562 -0.831 20 0 IBADRP CC(=O)N[C@H](CCO)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+] ZINC001182140443 1074219816 /nfs/dbraw/zinc/21/98/16/1074219816.db2.gz XZONYRYFXXWQNQ-KBUCOWLLSA-N 2 0 432.562 -0.831 20 0 IBADRP CC(=O)N[C@H](CCO)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+] ZINC001182140446 1074219800 /nfs/dbraw/zinc/21/98/00/1074219800.db2.gz XZONYRYFXXWQNQ-VGTAHMJBSA-N 2 0 432.562 -0.831 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182177639 1074221201 /nfs/dbraw/zinc/22/12/01/1074221201.db2.gz QKVFURFRJVQERG-HQNIOCCESA-N 2 0 442.557 -0.275 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182177640 1074221269 /nfs/dbraw/zinc/22/12/69/1074221269.db2.gz QKVFURFRJVQERG-IYNKWVJVSA-N 2 0 442.557 -0.275 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001182177641 1074221241 /nfs/dbraw/zinc/22/12/41/1074221241.db2.gz QKVFURFRJVQERG-PSYRKBHYSA-N 2 0 442.557 -0.275 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC2CC(=O)NC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001182177642 1074221219 /nfs/dbraw/zinc/22/12/19/1074221219.db2.gz QKVFURFRJVQERG-QEFISFJRSA-N 2 0 442.557 -0.275 20 0 IBADRP CN(CC(=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+])S(C)(=O)=O ZINC001182883992 1074236412 /nfs/dbraw/zinc/23/64/12/1074236412.db2.gz WBQIMVOTJXLBDW-CUINURIISA-N 2 0 438.591 -0.827 20 0 IBADRP CN(CC(=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+])S(C)(=O)=O ZINC001182883993 1074236352 /nfs/dbraw/zinc/23/63/52/1074236352.db2.gz WBQIMVOTJXLBDW-JBJRXJHCSA-N 2 0 438.591 -0.827 20 0 IBADRP 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Cc1nc(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+])c[nH]c1=O ZINC001196521825 1074378913 /nfs/dbraw/zinc/37/89/13/1074378913.db2.gz DJPNWUWKIXLHBL-KMUPADOHSA-N 2 0 425.530 -0.012 20 0 IBADRP Cc1nc(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+])c[nH]c1=O ZINC001196521829 1074378854 /nfs/dbraw/zinc/37/88/54/1074378854.db2.gz DJPNWUWKIXLHBL-LMZXCRDUSA-N 2 0 425.530 -0.012 20 0 IBADRP Cc1nc(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+])c[nH]c1=O ZINC001196521863 1074378996 /nfs/dbraw/zinc/37/89/96/1074378996.db2.gz DJPNWUWKIXLHBL-PKKRGFRTSA-N 2 0 425.530 -0.012 20 0 IBADRP Cc1nc(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+])c[nH]c1=O ZINC001196521866 1074378756 /nfs/dbraw/zinc/37/87/56/1074378756.db2.gz DJPNWUWKIXLHBL-UBQXRGRESA-N 2 0 425.530 -0.012 20 0 IBADRP C[NH+]1CCN(c2cc(Nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc[nH+]2)CC1 ZINC001201667115 1074410675 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[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218509360 1073350432 /nfs/dbraw/zinc/35/04/32/1073350432.db2.gz AMODLBBQLVMEFT-IRXDYDNUSA-N 2 0 432.525 -0.060 20 0 IBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)nc2)CC1 ZINC001218516997 1073350406 /nfs/dbraw/zinc/35/04/06/1073350406.db2.gz LDQCXJDSQUAPIA-OALUTQOASA-N 2 0 442.520 -0.475 20 0 IBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218553193 1073350908 /nfs/dbraw/zinc/35/09/08/1073350908.db2.gz WJOAKDZMOKHPBD-QWRGUYRKSA-N 2 0 440.526 -0.196 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1c[nH+]ccc1N(C)C)C(=O)CF ZINC001218564039 1073351377 /nfs/dbraw/zinc/35/13/77/1073351377.db2.gz XDFHOIVIBSBLGT-LXIYXOSZSA-N 2 0 438.504 -0.012 20 0 IBADRP Nc1cn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001218619192 1073352882 /nfs/dbraw/zinc/35/28/82/1073352882.db2.gz AXFDGLRLWHQGOY-INIZCTEOSA-N 2 0 437.566 -0.642 20 0 IBADRP Nc1cn(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001218619193 1073353213 /nfs/dbraw/zinc/35/32/13/1073353213.db2.gz AXFDGLRLWHQGOY-MRXNPFEDSA-N 2 0 437.566 -0.642 20 0 IBADRP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218619201 1073353157 /nfs/dbraw/zinc/35/31/57/1073353157.db2.gz BCXIJNYEKKATFN-PXNSSMCTSA-N 3 0 447.584 -0.609 20 0 IBADRP Nc1cn(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619834 1073353382 /nfs/dbraw/zinc/35/33/82/1073353382.db2.gz KSSRMNSDEQMRMB-GHTZIAJQSA-N 2 0 436.516 -0.210 20 0 IBADRP Nc1cn(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619840 1073353325 /nfs/dbraw/zinc/35/33/25/1073353325.db2.gz KSSRMNSDEQMRMB-NQIIRXRSSA-N 2 0 436.516 -0.210 20 0 IBADRP Nc1cn(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619845 1073353181 /nfs/dbraw/zinc/35/31/81/1073353181.db2.gz KSSRMNSDEQMRMB-RXVVDRJESA-N 2 0 436.516 -0.210 20 0 IBADRP Nc1cn(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)ccc1=[NH+]CCN1CCOCC1 ZINC001218619851 1073353238 /nfs/dbraw/zinc/35/32/38/1073353238.db2.gz KSSRMNSDEQMRMB-WIYYLYMNSA-N 2 0 436.516 -0.210 20 0 IBADRP Nc1cn(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218620268 1073353076 /nfs/dbraw/zinc/35/30/76/1073353076.db2.gz OZFNKSROKPDSSE-FQEVSTJZSA-N 2 0 426.521 -0.370 20 0 IBADRP Nc1cn(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001218621821 1073353372 /nfs/dbraw/zinc/35/33/72/1073353372.db2.gz NLKZSNHZTYKUEK-INIZCTEOSA-N 2 0 426.525 -0.514 20 0 IBADRP Nc1cn(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001218621830 1073353248 /nfs/dbraw/zinc/35/32/48/1073353248.db2.gz NLKZSNHZTYKUEK-MRXNPFEDSA-N 2 0 426.525 -0.514 20 0 IBADRP Nc1cn(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621838 1073353191 /nfs/dbraw/zinc/35/31/91/1073353191.db2.gz NSNLTFQVWGEZRV-INIZCTEOSA-N 2 0 442.524 -0.729 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640876 1073354931 /nfs/dbraw/zinc/35/49/31/1073354931.db2.gz MVBDZVQNKUEIEE-ICSRJNTNSA-N 2 0 441.536 -0.207 20 0 IBADRP NC(=O)c1cc(I)cnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218676254 1073355365 /nfs/dbraw/zinc/35/53/65/1073355365.db2.gz VAUWFYUZPOIOEN-LLVKDONJSA-N 2 0 432.266 -0.526 20 0 IBADRP NC(=O)c1cc(I)cnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218676273 1073355375 /nfs/dbraw/zinc/35/53/75/1073355375.db2.gz VAUWFYUZPOIOEN-NSHDSACASA-N 2 0 432.266 -0.526 20 0 IBADRP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001218770035 1073357093 /nfs/dbraw/zinc/35/70/93/1073357093.db2.gz AXZUAJILDFPFAV-INIZCTEOSA-N 2 0 431.541 -0.077 20 0 IBADRP O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001218770036 1073357149 /nfs/dbraw/zinc/35/71/49/1073357149.db2.gz AXZUAJILDFPFAV-MRXNPFEDSA-N 2 0 431.541 -0.077 20 0 IBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218774952 1073358177 /nfs/dbraw/zinc/35/81/77/1073358177.db2.gz CYMOBMSFBOTMRT-AGIUHOORSA-N 2 0 442.948 -0.050 20 0 IBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218774953 1073357966 /nfs/dbraw/zinc/35/79/66/1073357966.db2.gz CYMOBMSFBOTMRT-AVGNSLFASA-N 2 0 442.948 -0.050 20 0 IBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218774954 1073357933 /nfs/dbraw/zinc/35/79/33/1073357933.db2.gz CYMOBMSFBOTMRT-FRRDWIJNSA-N 2 0 442.948 -0.050 20 0 IBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218774955 1073358017 /nfs/dbraw/zinc/35/80/17/1073358017.db2.gz CYMOBMSFBOTMRT-RWMBFGLXSA-N 2 0 442.948 -0.050 20 0 IBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001218774992 1073357994 /nfs/dbraw/zinc/35/79/94/1073357994.db2.gz DEFFIPWVULHZQS-ILXRZTDVSA-N 2 0 447.927 -0.701 20 0 IBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001218774993 1073357950 /nfs/dbraw/zinc/35/79/50/1073357950.db2.gz DEFFIPWVULHZQS-KKUMJFAQSA-N 2 0 447.927 -0.701 20 0 IBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001218774994 1073358139 /nfs/dbraw/zinc/35/81/39/1073358139.db2.gz DEFFIPWVULHZQS-QLFBSQMISA-N 2 0 447.927 -0.701 20 0 IBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001218774995 1073357982 /nfs/dbraw/zinc/35/79/82/1073357982.db2.gz DEFFIPWVULHZQS-SOUVJXGZSA-N 2 0 447.927 -0.701 20 0 IBADRP CC(C)[NH+]1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218775626 1073358095 /nfs/dbraw/zinc/35/80/95/1073358095.db2.gz ITJJLSBLJYUENA-CABCVRRESA-N 2 0 425.965 -0.344 20 0 IBADRP CC(C)[NH+]1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218775631 1073358058 /nfs/dbraw/zinc/35/80/58/1073358058.db2.gz ITJJLSBLJYUENA-GJZGRUSLSA-N 2 0 425.965 -0.344 20 0 IBADRP CC(C)[NH+]1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218775633 1073357912 /nfs/dbraw/zinc/35/79/12/1073357912.db2.gz ITJJLSBLJYUENA-HUUCEWRRSA-N 2 0 425.965 -0.344 20 0 IBADRP CC(C)[NH+]1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218775635 1073358114 /nfs/dbraw/zinc/35/81/14/1073358114.db2.gz ITJJLSBLJYUENA-LSDHHAIUSA-N 2 0 425.965 -0.344 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776473 1073358485 /nfs/dbraw/zinc/35/84/85/1073358485.db2.gz LFZVABYQOREKSG-FPCVCCKLSA-N 2 0 437.976 -0.296 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776500 1073358450 /nfs/dbraw/zinc/35/84/50/1073358450.db2.gz LFZVABYQOREKSG-JJXSEGSLSA-N 2 0 437.976 -0.296 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776502 1073358495 /nfs/dbraw/zinc/35/84/95/1073358495.db2.gz LFZVABYQOREKSG-KLHDSHLOSA-N 2 0 437.976 -0.296 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776504 1073358455 /nfs/dbraw/zinc/35/84/55/1073358455.db2.gz LFZVABYQOREKSG-ZJIFWQFVSA-N 2 0 437.976 -0.296 20 0 IBADRP NC(=O)C1CC[NH+](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218777531 1073358445 /nfs/dbraw/zinc/35/84/45/1073358445.db2.gz PZZOHOSIIQIMLH-KBPBESRZSA-N 2 0 439.948 -0.783 20 0 IBADRP NC(=O)C1CC[NH+](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218777532 1073358489 /nfs/dbraw/zinc/35/84/89/1073358489.db2.gz PZZOHOSIIQIMLH-KGLIPLIRSA-N 2 0 439.948 -0.783 20 0 IBADRP NC(=O)C1CC[NH+](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218777533 1073358464 /nfs/dbraw/zinc/35/84/64/1073358464.db2.gz PZZOHOSIIQIMLH-UONOGXRCSA-N 2 0 439.948 -0.783 20 0 IBADRP NC(=O)C1CC[NH+](CCC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218777536 1073358841 /nfs/dbraw/zinc/35/88/41/1073358841.db2.gz PZZOHOSIIQIMLH-ZIAGYGMSSA-N 2 0 439.948 -0.783 20 0 IBADRP Nc1ncn(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777683 1073358910 /nfs/dbraw/zinc/35/89/10/1073358910.db2.gz FYIJWJDHYWSKOY-ARFHVFGLSA-N 2 0 437.976 -0.296 20 0 IBADRP Nc1ncn(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777686 1073358846 /nfs/dbraw/zinc/35/88/46/1073358846.db2.gz FYIJWJDHYWSKOY-BZUAXINKSA-N 2 0 437.976 -0.296 20 0 IBADRP Nc1ncn(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777689 1073358904 /nfs/dbraw/zinc/35/89/04/1073358904.db2.gz FYIJWJDHYWSKOY-OAGGEKHMSA-N 2 0 437.976 -0.296 20 0 IBADRP Nc1ncn(C(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777691 1073358907 /nfs/dbraw/zinc/35/89/07/1073358907.db2.gz FYIJWJDHYWSKOY-XHSDSOJGSA-N 2 0 437.976 -0.296 20 0 IBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777827 1073358856 /nfs/dbraw/zinc/35/88/56/1073358856.db2.gz GDMNKTFQIRTUMX-AGIUHOORSA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777830 1073358913 /nfs/dbraw/zinc/35/89/13/1073358913.db2.gz GDMNKTFQIRTUMX-AVGNSLFASA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777832 1073358826 /nfs/dbraw/zinc/35/88/26/1073358826.db2.gz GDMNKTFQIRTUMX-FRRDWIJNSA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777833 1073358815 /nfs/dbraw/zinc/35/88/15/1073358815.db2.gz GDMNKTFQIRTUMX-RWMBFGLXSA-N 2 0 427.937 -0.880 20 0 IBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778440 1073359258 /nfs/dbraw/zinc/35/92/58/1073359258.db2.gz HZJPQZMSLWUWOF-HZSPNIEDSA-N 2 0 427.937 -0.736 20 0 IBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778441 1073359312 /nfs/dbraw/zinc/35/93/12/1073359312.db2.gz HZJPQZMSLWUWOF-IHRRRGAJSA-N 2 0 427.937 -0.736 20 0 IBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778442 1073359220 /nfs/dbraw/zinc/35/92/20/1073359220.db2.gz HZJPQZMSLWUWOF-MELADBBJSA-N 2 0 427.937 -0.736 20 0 IBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778443 1073359211 /nfs/dbraw/zinc/35/92/11/1073359211.db2.gz HZJPQZMSLWUWOF-RDBSUJKOSA-N 2 0 427.937 -0.736 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778480 1073359302 /nfs/dbraw/zinc/35/93/02/1073359302.db2.gz IPZKKAFNIFDZNI-ASHKBJFXSA-N 2 0 427.937 -0.880 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778481 1073359182 /nfs/dbraw/zinc/35/91/82/1073359182.db2.gz IPZKKAFNIFDZNI-OHTBPHCPSA-N 2 0 427.937 -0.880 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778482 1073359153 /nfs/dbraw/zinc/35/91/53/1073359153.db2.gz IPZKKAFNIFDZNI-OXIQGZBJSA-N 2 0 427.937 -0.880 20 0 IBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778483 1073359167 /nfs/dbraw/zinc/35/91/67/1073359167.db2.gz IPZKKAFNIFDZNI-YFCNSXCBSA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778679 1073359130 /nfs/dbraw/zinc/35/91/30/1073359130.db2.gz UYNYRNSLTMPOAZ-CRWXNKLISA-N 2 0 441.964 -0.492 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778684 1073359114 /nfs/dbraw/zinc/35/91/14/1073359114.db2.gz UYNYRNSLTMPOAZ-RFQIPJPRSA-N 2 0 441.964 -0.492 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778686 1073359196 /nfs/dbraw/zinc/35/91/96/1073359196.db2.gz UYNYRNSLTMPOAZ-XDQVBPFNSA-N 2 0 441.964 -0.492 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778688 1073359229 /nfs/dbraw/zinc/35/92/29/1073359229.db2.gz UYNYRNSLTMPOAZ-XUXIUFHCSA-N 2 0 441.964 -0.492 20 0 IBADRP Nc1ncn(C(=O)C2([NH3+])CCC3(CC2)OCCO3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779139 1073359710 /nfs/dbraw/zinc/35/97/10/1073359710.db2.gz KIKATNHHJXNTRK-CHWSQXEVSA-N 2 0 440.932 -0.355 20 0 IBADRP Nc1ncn(C(=O)C2([NH3+])CCC3(CC2)OCCO3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779144 1073359646 /nfs/dbraw/zinc/35/96/46/1073359646.db2.gz KIKATNHHJXNTRK-OLZOCXBDSA-N 2 0 440.932 -0.355 20 0 IBADRP Nc1ncn(C(=O)C2([NH3+])CCC3(CC2)OCCO3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779148 1073359700 /nfs/dbraw/zinc/35/97/00/1073359700.db2.gz KIKATNHHJXNTRK-QWHCGFSZSA-N 2 0 440.932 -0.355 20 0 IBADRP Nc1ncn(C(=O)C2([NH3+])CCC3(CC2)OCCO3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779151 1073359745 /nfs/dbraw/zinc/35/97/45/1073359745.db2.gz KIKATNHHJXNTRK-STQMWFEESA-N 2 0 440.932 -0.355 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779785 1073359670 /nfs/dbraw/zinc/35/96/70/1073359670.db2.gz XIBIRHUJTBSPEQ-AGIUHOORSA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779786 1073359719 /nfs/dbraw/zinc/35/97/19/1073359719.db2.gz XIBIRHUJTBSPEQ-AVGNSLFASA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779787 1073359599 /nfs/dbraw/zinc/35/95/99/1073359599.db2.gz XIBIRHUJTBSPEQ-FRRDWIJNSA-N 2 0 427.937 -0.880 20 0 IBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779788 1073359966 /nfs/dbraw/zinc/35/99/66/1073359966.db2.gz XIBIRHUJTBSPEQ-RWMBFGLXSA-N 2 0 427.937 -0.880 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218780188 1073360087 /nfs/dbraw/zinc/36/00/87/1073360087.db2.gz MUUPCHDOMKTOAH-FDYHWXHSSA-N 2 0 426.905 -0.971 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218780191 1073360033 /nfs/dbraw/zinc/36/00/33/1073360033.db2.gz MUUPCHDOMKTOAH-LOWDOPEQSA-N 2 0 426.905 -0.971 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218780192 1073360022 /nfs/dbraw/zinc/36/00/22/1073360022.db2.gz MUUPCHDOMKTOAH-LPWJVIDDSA-N 2 0 426.905 -0.971 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218780194 1073360067 /nfs/dbraw/zinc/36/00/67/1073360067.db2.gz MUUPCHDOMKTOAH-UMSGYPCISA-N 2 0 426.905 -0.971 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780575 1073360059 /nfs/dbraw/zinc/36/00/59/1073360059.db2.gz NQTDHACJNLXRBM-FZKCQIBNSA-N 2 0 437.976 -0.154 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780580 1073359982 /nfs/dbraw/zinc/35/99/82/1073359982.db2.gz NQTDHACJNLXRBM-LVQVYYBASA-N 2 0 437.976 -0.154 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780581 1073359976 /nfs/dbraw/zinc/35/99/76/1073359976.db2.gz NQTDHACJNLXRBM-WCVJEAGWSA-N 2 0 437.976 -0.154 20 0 IBADRP Nc1ncn(C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780582 1073360076 /nfs/dbraw/zinc/36/00/76/1073360076.db2.gz NQTDHACJNLXRBM-XUWVNRHRSA-N 2 0 437.976 -0.154 20 0 IBADRP Nc1ncn(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780797 1073360014 /nfs/dbraw/zinc/36/00/14/1073360014.db2.gz OIRQZOIQWUONKD-LTIDMASMSA-N 2 0 448.955 -0.049 20 0 IBADRP Nc1ncn(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780799 1073359948 /nfs/dbraw/zinc/35/99/48/1073359948.db2.gz OIRQZOIQWUONKD-LUKYLMHMSA-N 2 0 448.955 -0.049 20 0 IBADRP Nc1ncn(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780801 1073359987 /nfs/dbraw/zinc/35/99/87/1073359987.db2.gz OIRQZOIQWUONKD-QAETUUGQSA-N 2 0 448.955 -0.049 20 0 IBADRP Nc1ncn(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780804 1073360433 /nfs/dbraw/zinc/36/04/33/1073360433.db2.gz OIRQZOIQWUONKD-QZWWFDLISA-N 2 0 448.955 -0.049 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783425 1073361636 /nfs/dbraw/zinc/36/16/36/1073361636.db2.gz CVZGVTLKJSYTBT-GUTXKFCHSA-N 2 0 447.927 -0.186 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783429 1073361609 /nfs/dbraw/zinc/36/16/09/1073361609.db2.gz CVZGVTLKJSYTBT-GZBFAFLISA-N 2 0 447.927 -0.186 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783433 1073361487 /nfs/dbraw/zinc/36/14/87/1073361487.db2.gz CVZGVTLKJSYTBT-NFAWXSAZSA-N 2 0 447.927 -0.186 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783436 1073361533 /nfs/dbraw/zinc/36/15/33/1073361533.db2.gz CVZGVTLKJSYTBT-UMVBOHGHSA-N 2 0 447.927 -0.186 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2N2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783577 1073361853 /nfs/dbraw/zinc/36/18/53/1073361853.db2.gz DGMTXETUSBXLAM-DZGCQCFKSA-N 2 0 446.943 -0.517 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2N2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783579 1073362072 /nfs/dbraw/zinc/36/20/72/1073362072.db2.gz DGMTXETUSBXLAM-HIFRSBDPSA-N 2 0 446.943 -0.517 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2N2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783581 1073362066 /nfs/dbraw/zinc/36/20/66/1073362066.db2.gz DGMTXETUSBXLAM-UKRRQHHQSA-N 2 0 446.943 -0.517 20 0 IBADRP Nc1ncn(C(=O)c2cccnc2N2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783583 1073361959 /nfs/dbraw/zinc/36/19/59/1073361959.db2.gz DGMTXETUSBXLAM-ZFWWWQNUSA-N 2 0 446.943 -0.517 20 0 IBADRP 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 1073362719 /nfs/dbraw/zinc/36/27/19/1073362719.db2.gz SITFTSWNUVCQKX-HZSPNIEDSA-N 2 0 425.965 -0.298 20 0 IBADRP 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 1073362696 /nfs/dbraw/zinc/36/26/96/1073362696.db2.gz SITFTSWNUVCQKX-IHRRRGAJSA-N 2 0 425.965 -0.298 20 0 IBADRP 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 1073362770 /nfs/dbraw/zinc/36/27/70/1073362770.db2.gz SITFTSWNUVCQKX-MELADBBJSA-N 2 0 425.965 -0.298 20 0 IBADRP 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 1073362553 /nfs/dbraw/zinc/36/25/53/1073362553.db2.gz SITFTSWNUVCQKX-RDBSUJKOSA-N 2 0 425.965 -0.298 20 0 IBADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc1 ZINC001218854937 1073364590 /nfs/dbraw/zinc/36/45/90/1073364590.db2.gz CNTKDRBVNCQYNW-WMLDXEAASA-N 2 0 434.541 -0.206 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001218859398 1073364665 /nfs/dbraw/zinc/36/46/65/1073364665.db2.gz CPDDUOPSRILDPW-KSSFIOAISA-N 2 0 434.516 -0.030 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873090 1073365054 /nfs/dbraw/zinc/36/50/54/1073365054.db2.gz DXJMXGDRNARSIN-LPHOPBHVSA-N 2 0 446.552 -0.806 20 0 IBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218874168 1073365170 /nfs/dbraw/zinc/36/51/70/1073365170.db2.gz UNLXKAQYBMKSLD-GOSISDBHSA-N 2 0 426.525 -0.323 20 0 IBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218874171 1073365230 /nfs/dbraw/zinc/36/52/30/1073365230.db2.gz UNLXKAQYBMKSLD-SFHVURJKSA-N 2 0 426.525 -0.323 20 0 IBADRP COc1nccn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875071 1073365302 /nfs/dbraw/zinc/36/53/02/1073365302.db2.gz KQXGCCKSRGYQEA-ZDUSSCGKSA-N 2 0 426.524 -0.577 20 0 IBADRP COc1nccn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875749 1073365531 /nfs/dbraw/zinc/36/55/31/1073365531.db2.gz YWNGTQNDIZSCKI-BFUOFWGJSA-N 2 0 432.506 -0.397 20 0 IBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218876470 1073366076 /nfs/dbraw/zinc/36/60/76/1073366076.db2.gz JESVZQOZAXKPIF-JTQLQIEISA-N 2 0 441.963 -0.368 20 0 IBADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1Cl ZINC001218877257 1073366306 /nfs/dbraw/zinc/36/63/06/1073366306.db2.gz QUAHRQUCXLAMBC-QMMMGPOBSA-N 2 0 427.936 -0.580 20 0 IBADRP COc1ccc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218877752 1073366483 /nfs/dbraw/zinc/36/64/83/1073366483.db2.gz IZJUSBLPRGWODD-BFUOFWGJSA-N 2 0 432.506 -0.012 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218879108 1073367616 /nfs/dbraw/zinc/36/76/16/1073367616.db2.gz NMCBWILEAFHSDM-VIFPVBQESA-N 2 0 427.936 -0.710 20 0 IBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879614 1073367432 /nfs/dbraw/zinc/36/74/32/1073367432.db2.gz DOBODXYBZPIHHW-INIZCTEOSA-N 2 0 425.493 -0.002 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881672 1073367912 /nfs/dbraw/zinc/36/79/12/1073367912.db2.gz AEOARWCYCUAPNF-YOEHRIQHSA-N 2 0 430.509 -0.875 20 0 IBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218901979 1073368490 /nfs/dbraw/zinc/36/84/90/1073368490.db2.gz RXCOVNYTWNNGSJ-ZFWWWQNUSA-N 2 0 427.527 -0.314 20 0 IBADRP COc1cc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218917852 1073368335 /nfs/dbraw/zinc/36/83/35/1073368335.db2.gz AHOPNWYSEHDOPR-AWEZNQCLSA-N 2 0 448.505 -0.393 20 0 IBADRP COc1cc(N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218917853 1073368292 /nfs/dbraw/zinc/36/82/92/1073368292.db2.gz AHOPNWYSEHDOPR-CQSZACIVSA-N 2 0 448.505 -0.393 20 0 IBADRP COc1ncnc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962233 1073369725 /nfs/dbraw/zinc/36/97/25/1073369725.db2.gz FYUDPZKKTPHDPS-AWEZNQCLSA-N 2 0 448.505 -0.393 20 0 IBADRP COc1ncnc(N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962234 1073369686 /nfs/dbraw/zinc/36/96/86/1073369686.db2.gz FYUDPZKKTPHDPS-CQSZACIVSA-N 2 0 448.505 -0.393 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC001219019059 1073370509 /nfs/dbraw/zinc/37/05/09/1073370509.db2.gz PZNJJNIOHUSTTD-SJCJKPOMSA-N 2 0 441.488 -0.240 20 0 IBADRP C[N@H+](Cc1ccccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC001219024054 1073370595 /nfs/dbraw/zinc/37/05/95/1073370595.db2.gz PQCNHSRJAOOEQR-UHFFFAOYSA-N 2 0 446.552 -0.303 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193993 1073371101 /nfs/dbraw/zinc/37/11/01/1073371101.db2.gz UWGMBRRVUMWKSM-NHYWBVRUSA-N 2 0 444.458 -0.244 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283206 1073371383 /nfs/dbraw/zinc/37/13/83/1073371383.db2.gz GLOWIQKTQZINMK-GUYCJALGSA-N 2 0 434.516 -0.053 20 0 IBADRP COc1ccc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc1OCCCN1CC[NH+](C)CC1 ZINC001219314317 1073371462 /nfs/dbraw/zinc/37/14/62/1073371462.db2.gz FAXGEGSLFZRYFW-GOSISDBHSA-N 2 0 433.553 -0.020 20 0 IBADRP COc1ccc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc1OCCCN1CC[NH+](C)CC1 ZINC001219314318 1073371838 /nfs/dbraw/zinc/37/18/38/1073371838.db2.gz FAXGEGSLFZRYFW-SFHVURJKSA-N 2 0 433.553 -0.020 20 0 IBADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219489588 1073372411 /nfs/dbraw/zinc/37/24/11/1073372411.db2.gz RKLKHNJDMHOSPN-GUYCJALGSA-N 2 0 434.541 -0.129 20 0 IBADRP COc1cc2c(cc1NC(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498226 1073372525 /nfs/dbraw/zinc/37/25/25/1073372525.db2.gz SFYPOZQEWFBXBG-ASSNKEHSSA-N 2 0 438.492 -0.245 20 0 IBADRP COc1cc2c(cc1NC(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498227 1073372514 /nfs/dbraw/zinc/37/25/14/1073372514.db2.gz SFYPOZQEWFBXBG-LRTDBIEQSA-N 2 0 438.492 -0.245 20 0 IBADRP COc1cc2c(cc1NC(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498228 1073372348 /nfs/dbraw/zinc/37/23/48/1073372348.db2.gz SFYPOZQEWFBXBG-YEJXKQKISA-N 2 0 438.492 -0.245 20 0 IBADRP COc1cc2c(cc1NC(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498229 1073372739 /nfs/dbraw/zinc/37/27/39/1073372739.db2.gz SFYPOZQEWFBXBG-ZSEKCTLFSA-N 2 0 438.492 -0.245 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@]3(O)CC[NH2+]C[C@@H]3F)c2)cc1 ZINC001219616075 1073373891 /nfs/dbraw/zinc/37/38/91/1073373891.db2.gz NVSHZERPHAEIAQ-ZIFCJYIRSA-N 2 0 439.513 -0.523 20 0 IBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219619201 1073373665 /nfs/dbraw/zinc/37/36/65/1073373665.db2.gz BKMUUVIFKLMUBL-JENIJYKNSA-N 2 0 430.546 -0.050 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621707 1073373793 /nfs/dbraw/zinc/37/37/93/1073373793.db2.gz FJVIXUQEUMRZJZ-UHMUHUCWSA-N 2 0 429.537 -0.966 20 0 IBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622705 1073373814 /nfs/dbraw/zinc/37/38/14/1073373814.db2.gz ZVKSGCLDYZIIMV-OGNFBWPZSA-N 2 0 426.558 -0.027 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1)C(=O)CF ZINC001219646711 1073374015 /nfs/dbraw/zinc/37/40/15/1073374015.db2.gz XAOWXTJPEGBFAK-GLRLOKQVSA-N 2 0 429.537 -0.750 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1)C(=O)CF ZINC001219646712 1073373733 /nfs/dbraw/zinc/37/37/33/1073373733.db2.gz XAOWXTJPEGBFAK-JSEZXORMSA-N 2 0 429.537 -0.750 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1)C(=O)CF ZINC001219646713 1073373925 /nfs/dbraw/zinc/37/39/25/1073373925.db2.gz XAOWXTJPEGBFAK-PQKJENKHSA-N 2 0 429.537 -0.750 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1)C(=O)CF ZINC001219646714 1073373641 /nfs/dbraw/zinc/37/36/41/1073373641.db2.gz XAOWXTJPEGBFAK-ZVZLPEGASA-N 2 0 429.537 -0.750 20 0 IBADRP O=C(NCCS(=O)(=O)N1CCNCC1)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219678539 1073374725 /nfs/dbraw/zinc/37/47/25/1073374725.db2.gz RZERAXKJDXKALA-IFMALSPDSA-N 2 0 449.621 -0.161 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726052 1073376527 /nfs/dbraw/zinc/37/65/27/1073376527.db2.gz HIGXWMGXGDNIMB-IBGZPJMESA-N 3 0 437.610 -0.175 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726054 1073376499 /nfs/dbraw/zinc/37/64/99/1073376499.db2.gz HIGXWMGXGDNIMB-LJQANCHMSA-N 3 0 437.610 -0.175 20 0 IBADRP CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729553 1073376337 /nfs/dbraw/zinc/37/63/37/1073376337.db2.gz ZBMHDEXELRBBFA-PMACEKPBSA-N 2 0 445.564 -0.782 20 0 IBADRP CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729554 1073376367 /nfs/dbraw/zinc/37/63/67/1073376367.db2.gz ZBMHDEXELRBBFA-UXHICEINSA-N 2 0 445.564 -0.782 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@@H]3CC4(C[NH2+]C4)CO3)c2)cc1 ZINC001219737549 1073376921 /nfs/dbraw/zinc/37/69/21/1073376921.db2.gz YXNYGNOBKYYYQC-FUHWJXTLSA-N 2 0 433.534 -0.207 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@H]3CC4(C[NH2+]C4)CO3)c2)cc1 ZINC001219737550 1073376844 /nfs/dbraw/zinc/37/68/44/1073376844.db2.gz YXNYGNOBKYYYQC-SJLPKXTDSA-N 2 0 433.534 -0.207 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739451 1073376686 /nfs/dbraw/zinc/37/66/86/1073376686.db2.gz OSSAGFHZEVAFPI-BJLQDIEVSA-N 2 0 445.564 -0.692 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739452 1073376664 /nfs/dbraw/zinc/37/66/64/1073376664.db2.gz OSSAGFHZEVAFPI-HBFSDRIKSA-N 2 0 445.564 -0.692 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744483 1073376790 /nfs/dbraw/zinc/37/67/90/1073376790.db2.gz XTEUIBIWLKUVMM-BZSNNMDCSA-N 2 0 437.585 -0.197 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744484 1073376813 /nfs/dbraw/zinc/37/68/13/1073376813.db2.gz XTEUIBIWLKUVMM-SQNIBIBYSA-N 2 0 437.585 -0.197 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749187 1073376899 /nfs/dbraw/zinc/37/68/99/1073376899.db2.gz JQKJRMPCTXFKEO-JYJNAYRXSA-N 2 0 448.572 -0.743 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749867 1073376706 /nfs/dbraw/zinc/37/67/06/1073376706.db2.gz RYRJXACNFPVRSB-STQMWFEESA-N 2 0 429.616 -0.294 20 0 IBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001219751837 1073377342 /nfs/dbraw/zinc/37/73/42/1073377342.db2.gz XXEBBYFQRXPGGD-UHFFFAOYSA-N 2 0 433.538 -0.268 20 0 IBADRP 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 1073377182 /nfs/dbraw/zinc/37/71/82/1073377182.db2.gz GEDFYPFYZWOXSH-PJVZLEMVSA-N 2 0 436.601 -0.735 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@]1(F)CCC[NH2+]C1)C(=O)CF ZINC001219768718 1073377134 /nfs/dbraw/zinc/37/71/34/1073377134.db2.gz PNIPSICULPQXLT-DYIBVVGTSA-N 2 0 433.500 -0.904 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@]1(F)CCC[NH2+]C1)C(=O)CF ZINC001219768724 1073377387 /nfs/dbraw/zinc/37/73/87/1073377387.db2.gz PNIPSICULPQXLT-LKTHJCGVSA-N 2 0 433.500 -0.904 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CC2(C1)CC[NH2+]CC2)C(=O)CF ZINC001219777171 1073377908 /nfs/dbraw/zinc/37/79/08/1073377908.db2.gz AXSUVWFURMSKOT-YEWWUXTCSA-N 2 0 441.548 -0.464 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803056 1073377808 /nfs/dbraw/zinc/37/78/08/1073377808.db2.gz JOPGNBWHGGBHGT-MHORFTMASA-N 2 0 437.585 -0.260 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803057 1073377706 /nfs/dbraw/zinc/37/77/06/1073377706.db2.gz JOPGNBWHGGBHGT-XSLAGTTESA-N 2 0 437.585 -0.260 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810771 1073378167 /nfs/dbraw/zinc/37/81/67/1073378167.db2.gz CPEJFEWNXUYGRW-QRTARXTBSA-N 2 0 434.541 -0.194 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@]34C[NH2+]C[C@H]3COC4)c2)cc1 ZINC001219813450 1073378231 /nfs/dbraw/zinc/37/82/31/1073378231.db2.gz UXOUTBPFYOXUQN-CVAIRZPRSA-N 2 0 433.534 -0.349 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814717 1073378205 /nfs/dbraw/zinc/37/82/05/1073378205.db2.gz KAVTWOVTTOZDOZ-JPPTWICTSA-N 2 0 445.564 -0.834 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831264 1073378148 /nfs/dbraw/zinc/37/81/48/1073378148.db2.gz DQALKJNAZWNEIU-AGRFSFNASA-N 2 0 445.564 -0.694 20 0 IBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219836820 1073378568 /nfs/dbraw/zinc/37/85/68/1073378568.db2.gz FNBFESPIFAZTSZ-IHFIDZABSA-N 2 0 430.549 -0.023 20 0 IBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219836821 1073378723 /nfs/dbraw/zinc/37/87/23/1073378723.db2.gz FNBFESPIFAZTSZ-MXBUBSDBSA-N 2 0 430.549 -0.023 20 0 IBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219836822 1073378539 /nfs/dbraw/zinc/37/85/39/1073378539.db2.gz FNBFESPIFAZTSZ-NVJIOZQYSA-N 2 0 430.549 -0.023 20 0 IBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219836823 1073378518 /nfs/dbraw/zinc/37/85/18/1073378518.db2.gz FNBFESPIFAZTSZ-QTDGGUCWSA-N 2 0 430.549 -0.023 20 0 IBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837248 1073378699 /nfs/dbraw/zinc/37/86/99/1073378699.db2.gz ILSHUQMBOOZHBO-DBXWQHBBSA-N 2 0 436.578 -0.125 20 0 IBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837249 1073378633 /nfs/dbraw/zinc/37/86/33/1073378633.db2.gz ILSHUQMBOOZHBO-OPYAIIAOSA-N 2 0 436.578 -0.125 20 0 IBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837250 1073378674 /nfs/dbraw/zinc/37/86/74/1073378674.db2.gz ILSHUQMBOOZHBO-UEXGIBASSA-N 2 0 436.578 -0.125 20 0 IBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837251 1073378943 /nfs/dbraw/zinc/37/89/43/1073378943.db2.gz ILSHUQMBOOZHBO-WAOWUJCRSA-N 2 0 436.578 -0.125 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837456 1073378890 /nfs/dbraw/zinc/37/88/90/1073378890.db2.gz JQVUUJUJMSVMNF-IAGYGMIVSA-N 2 0 426.558 -0.369 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837457 1073379195 /nfs/dbraw/zinc/37/91/95/1073379195.db2.gz JQVUUJUJMSVMNF-JJDSTIRJSA-N 2 0 426.558 -0.369 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837458 1073378921 /nfs/dbraw/zinc/37/89/21/1073378921.db2.gz JQVUUJUJMSVMNF-MXTNKPTQSA-N 2 0 426.558 -0.369 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837459 1073379019 /nfs/dbraw/zinc/37/90/19/1073379019.db2.gz JQVUUJUJMSVMNF-NWZZKEMCSA-N 2 0 426.558 -0.369 20 0 IBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837636 1073378871 /nfs/dbraw/zinc/37/88/71/1073378871.db2.gz KIAGMBLXLCGVCY-MPHOGZCYSA-N 2 0 429.521 -0.335 20 0 IBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837637 1073379069 /nfs/dbraw/zinc/37/90/69/1073379069.db2.gz KIAGMBLXLCGVCY-OHEPNIRZSA-N 2 0 429.521 -0.335 20 0 IBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837638 1073379046 /nfs/dbraw/zinc/37/90/46/1073379046.db2.gz KIAGMBLXLCGVCY-QOEFQVSFSA-N 2 0 429.521 -0.335 20 0 IBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837639 1073379144 /nfs/dbraw/zinc/37/91/44/1073379144.db2.gz KIAGMBLXLCGVCY-WQFQCULDSA-N 2 0 429.521 -0.335 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837814 1073379098 /nfs/dbraw/zinc/37/90/98/1073379098.db2.gz MESJSYFGOMIRLB-DRMAHVMPSA-N 2 0 448.655 -0.184 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837818 1073378969 /nfs/dbraw/zinc/37/89/69/1073378969.db2.gz MESJSYFGOMIRLB-FPXQBCRKSA-N 2 0 448.655 -0.184 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837819 1073378857 /nfs/dbraw/zinc/37/88/57/1073378857.db2.gz MESJSYFGOMIRLB-IUVQAAGXSA-N 2 0 448.655 -0.184 20 0 IBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837820 1073379179 /nfs/dbraw/zinc/37/91/79/1073379179.db2.gz MESJSYFGOMIRLB-PASDCYSWSA-N 2 0 448.655 -0.184 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)c2)cc1 ZINC001219847730 1073379512 /nfs/dbraw/zinc/37/95/12/1073379512.db2.gz QOVLLFBAMPNSKP-YDZRNGNQSA-N 2 0 433.534 -0.066 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219849530 1073379430 /nfs/dbraw/zinc/37/94/30/1073379430.db2.gz CKJOCEMRDJBRGI-OAGDOXAWSA-N 2 0 445.564 -0.551 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852237 1073379804 /nfs/dbraw/zinc/37/98/04/1073379804.db2.gz ORLZRGVATVPEMX-KOUJMVCDSA-N 2 0 437.585 -0.404 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219895750 1073380924 /nfs/dbraw/zinc/38/09/24/1073380924.db2.gz HITZSZMVNZGYRT-MOPGFXCFSA-N 2 0 427.553 -0.531 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219895753 1073380825 /nfs/dbraw/zinc/38/08/25/1073380825.db2.gz HITZSZMVNZGYRT-OALUTQOASA-N 2 0 427.553 -0.531 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219895754 1073380729 /nfs/dbraw/zinc/38/07/29/1073380729.db2.gz HITZSZMVNZGYRT-RBUKOAKNSA-N 2 0 427.553 -0.531 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 ZINC001219895755 1073380692 /nfs/dbraw/zinc/38/06/92/1073380692.db2.gz HITZSZMVNZGYRT-RTBURBONSA-N 2 0 427.553 -0.531 20 0 IBADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001219898324 1073380849 /nfs/dbraw/zinc/38/08/49/1073380849.db2.gz JYYWSRMTHNHWNX-BJLQDIEVSA-N 2 0 447.580 -0.085 20 0 IBADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001219898325 1073380908 /nfs/dbraw/zinc/38/09/08/1073380908.db2.gz JYYWSRMTHNHWNX-HBFSDRIKSA-N 2 0 447.580 -0.085 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCCCC[NH+](C)C)C(=O)CF ZINC001219921791 1073381827 /nfs/dbraw/zinc/38/18/27/1073381827.db2.gz YHBCLFPJXSKLGI-MPGHIAIKSA-N 2 0 431.553 -0.264 20 0 IBADRP CCC[NH+]1CCC(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001219954557 1073381880 /nfs/dbraw/zinc/38/18/80/1073381880.db2.gz LLWBGBMBZUQKDK-QOKNQOGYSA-N 2 0 443.564 -0.122 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001219961637 1073381839 /nfs/dbraw/zinc/38/18/39/1073381839.db2.gz PYOKCJOFETVUAY-LPHOPBHVSA-N 2 0 430.553 -0.491 20 0 IBADRP 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 1073382916 /nfs/dbraw/zinc/38/29/16/1073382916.db2.gz WZBBTVLCUZFOLJ-FPXQBCRKSA-N 2 0 443.564 -0.264 20 0 IBADRP 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 1073382780 /nfs/dbraw/zinc/38/27/80/1073382780.db2.gz WZBBTVLCUZFOLJ-RCJHGTSTSA-N 2 0 443.564 -0.264 20 0 IBADRP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CC[NH2+]CC1 ZINC001219999003 1073382866 /nfs/dbraw/zinc/38/28/66/1073382866.db2.gz HOMPXUYZUPMIAZ-QGZVFWFLSA-N 2 0 449.533 -0.290 20 0 IBADRP COC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC[NH2+]CC1 ZINC001220001831 1073383206 /nfs/dbraw/zinc/38/32/06/1073383206.db2.gz YIYBMBNPHGYGNZ-JYJNAYRXSA-N 2 0 439.557 -0.733 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020413 1073383179 /nfs/dbraw/zinc/38/31/79/1073383179.db2.gz HRANESVUJNOAPW-LPHOPBHVSA-N 2 0 427.509 -0.712 20 0 IBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)COC1 ZINC001220023420 1073383084 /nfs/dbraw/zinc/38/30/84/1073383084.db2.gz YGQPNTFIHRLYSN-PMACEKPBSA-N 2 0 442.516 -0.504 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025694 1073383762 /nfs/dbraw/zinc/38/37/62/1073383762.db2.gz VNQHYLSOAGILSI-IHRRRGAJSA-N 2 0 436.582 -0.116 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039450 1073383583 /nfs/dbraw/zinc/38/35/83/1073383583.db2.gz FJBKPUUZHCHQNL-XVRRPWEDSA-N 2 0 439.557 -0.461 20 0 IBADRP COc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)cc1S(N)(=O)=O ZINC001220041763 1073383711 /nfs/dbraw/zinc/38/37/11/1073383711.db2.gz YQFIATKZQIDHRE-PBHICJAKSA-N 2 0 440.566 -0.157 20 0 IBADRP COc1ccc(C[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)cc1S(N)(=O)=O ZINC001220041764 1073383553 /nfs/dbraw/zinc/38/35/53/1073383553.db2.gz YQFIATKZQIDHRE-RHSMWYFYSA-N 2 0 440.566 -0.157 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045003 1073384113 /nfs/dbraw/zinc/38/41/13/1073384113.db2.gz HPZZEIDATMPSFF-PXNSSMCTSA-N 2 0 426.521 -0.107 20 0 IBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220045092 1073384182 /nfs/dbraw/zinc/38/41/82/1073384182.db2.gz LTYFJUZVVDJTGR-HKUYNNGSSA-N 2 0 441.536 -0.403 20 0 IBADRP O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220103420 1073384555 /nfs/dbraw/zinc/38/45/55/1073384555.db2.gz RBTWNWLWGNVXFB-HOTGVXAUSA-N 2 0 433.484 -0.087 20 0 IBADRP O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220103421 1073384474 /nfs/dbraw/zinc/38/44/74/1073384474.db2.gz RBTWNWLWGNVXFB-JKSUJKDBSA-N 2 0 433.484 -0.087 20 0 IBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104249 1073384760 /nfs/dbraw/zinc/38/47/60/1073384760.db2.gz ALGSBERHVHQEEQ-ROUUACIJSA-N 2 0 447.536 -0.591 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001220117249 1073385258 /nfs/dbraw/zinc/38/52/58/1073385258.db2.gz FAKWURBPXOPHIP-UHFFFAOYSA-N 2 0 448.509 -0.863 20 0 IBADRP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220120375 1073385089 /nfs/dbraw/zinc/38/50/89/1073385089.db2.gz AJDWEMDIKYPEFU-INIZCTEOSA-N 2 0 439.524 -0.333 20 0 IBADRP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220120376 1073385204 /nfs/dbraw/zinc/38/52/04/1073385204.db2.gz AJDWEMDIKYPEFU-MRXNPFEDSA-N 2 0 439.524 -0.333 20 0 IBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1 ZINC001220120514 1073385273 /nfs/dbraw/zinc/38/52/73/1073385273.db2.gz FWFUVAWQKLLUSH-ZFWWWQNUSA-N 2 0 446.508 -0.147 20 0 IBADRP COC(=O)[C@@]1(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@H+](Cc2ccccc2)C1 ZINC001220226474 1073386522 /nfs/dbraw/zinc/38/65/22/1073386522.db2.gz SWLZMVUCSBCHGA-HTAPYJJXSA-N 2 0 439.520 -0.142 20 0 IBADRP COC(=O)[C@]1(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@H+](Cc2ccccc2)C1 ZINC001220226475 1073386441 /nfs/dbraw/zinc/38/64/41/1073386441.db2.gz SWLZMVUCSBCHGA-JTSKRJEESA-N 2 0 439.520 -0.142 20 0 IBADRP COC(=O)[C@@]1(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@H+](Cc2ccccc2)C1 ZINC001220226476 1073386501 /nfs/dbraw/zinc/38/65/01/1073386501.db2.gz SWLZMVUCSBCHGA-VGOFRKELSA-N 2 0 439.520 -0.142 20 0 IBADRP COC(=O)[C@]1(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC[N@H+](Cc2ccccc2)C1 ZINC001220226477 1073386598 /nfs/dbraw/zinc/38/65/98/1073386598.db2.gz SWLZMVUCSBCHGA-VGSWGCGISA-N 2 0 439.520 -0.142 20 0 IBADRP COC(=O)[C@@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001220228160 1073386567 /nfs/dbraw/zinc/38/65/67/1073386567.db2.gz BYVYHLKBKFSWIJ-CMPZQBNXSA-N 2 0 433.509 -0.982 20 0 IBADRP COC(=O)[C@]1(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001220228161 1073386814 /nfs/dbraw/zinc/38/68/14/1073386814.db2.gz BYVYHLKBKFSWIJ-PXARDIRTSA-N 2 0 433.509 -0.982 20 0 IBADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220230739 1073386737 /nfs/dbraw/zinc/38/67/37/1073386737.db2.gz NXDLXWHWLQCYRV-JYJNAYRXSA-N 2 0 428.530 -0.175 20 0 IBADRP 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 1073387140 /nfs/dbraw/zinc/38/71/40/1073387140.db2.gz GZUTWZCIISYGGX-KRXQYRFLSA-N 2 0 429.537 -0.512 20 0 IBADRP 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 1073387241 /nfs/dbraw/zinc/38/72/41/1073387241.db2.gz GZUTWZCIISYGGX-XSWJXKHESA-N 2 0 429.537 -0.512 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC(C)(C)C[NH+](C)C)C(=O)CF ZINC001220254811 1073387189 /nfs/dbraw/zinc/38/71/89/1073387189.db2.gz YSQXRSZGSRTOKX-ZQIUZPCESA-N 2 0 431.553 -0.408 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CC[NH3+])c1cccnc1)C(=O)CF ZINC001220263334 1073387110 /nfs/dbraw/zinc/38/71/10/1073387110.db2.gz GXZXRVRQFDNUIT-YEWWUXTCSA-N 2 0 438.504 -0.725 20 0 IBADRP CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220281861 1073387589 /nfs/dbraw/zinc/38/75/89/1073387589.db2.gz CGCUFFIANYIDDF-DFYYWFRZSA-N 2 0 439.534 -0.630 20 0 IBADRP CCOC(=O)[C@H](NC(=O)[C@H](CCCC[NH3+])[NH2+]C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282768 1073388036 /nfs/dbraw/zinc/38/80/36/1073388036.db2.gz MWWRTXDZCHAPDT-BBWFWOEESA-N 2 0 429.539 -0.112 20 0 IBADRP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284519 1073388940 /nfs/dbraw/zinc/38/89/40/1073388940.db2.gz RMCASNOSPZKSPY-BBWFWOEESA-N 2 0 427.523 -0.502 20 0 IBADRP CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284521 1073388952 /nfs/dbraw/zinc/38/89/52/1073388952.db2.gz RMCASNOSPZKSPY-ZACQAIPSSA-N 2 0 427.523 -0.502 20 0 IBADRP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284840 1073388806 /nfs/dbraw/zinc/38/88/06/1073388806.db2.gz YHTNIKIKBHMXIQ-ZNMIVQPWSA-N 2 0 433.552 -0.809 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354774 1073389488 /nfs/dbraw/zinc/38/94/88/1073389488.db2.gz XANKHFSGILZMNV-DLBZAZTESA-N 2 0 426.539 -0.218 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354775 1073389385 /nfs/dbraw/zinc/38/93/85/1073389385.db2.gz XANKHFSGILZMNV-IAGOWNOFSA-N 2 0 426.539 -0.218 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354776 1073389392 /nfs/dbraw/zinc/38/93/92/1073389392.db2.gz XANKHFSGILZMNV-IRXDYDNUSA-N 2 0 426.539 -0.218 20 0 IBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354777 1073389471 /nfs/dbraw/zinc/38/94/71/1073389471.db2.gz XANKHFSGILZMNV-SJORKVTESA-N 2 0 426.539 -0.218 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358551 1073389453 /nfs/dbraw/zinc/38/94/53/1073389453.db2.gz UNVGUCQFRBYLQI-DZJNRPSUSA-N 2 0 447.536 -0.341 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358552 1073389439 /nfs/dbraw/zinc/38/94/39/1073389439.db2.gz UNVGUCQFRBYLQI-DZOHQFGASA-N 2 0 447.536 -0.341 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358553 1073389512 /nfs/dbraw/zinc/38/95/12/1073389512.db2.gz UNVGUCQFRBYLQI-HPBDAGMYSA-N 2 0 447.536 -0.341 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1)C(N)=O ZINC001220358554 1073389365 /nfs/dbraw/zinc/38/93/65/1073389365.db2.gz UNVGUCQFRBYLQI-OWLYRPNTSA-N 2 0 447.536 -0.341 20 0 IBADRP COC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OC(C)(C)C ZINC001220378973 1073390022 /nfs/dbraw/zinc/39/00/22/1073390022.db2.gz JMWKHLOWMSSZQT-KKUMJFAQSA-N 2 0 428.530 -0.177 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(C)(C)CC[NH+](C)C)C(=O)CF ZINC001220386260 1073389904 /nfs/dbraw/zinc/38/99/04/1073389904.db2.gz MPDCVAAWJYEKRR-ZQIUZPCESA-N 2 0 431.553 -0.266 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC12CC[NH+](CC1)CC2)C(=O)CF ZINC001220394905 1073389843 /nfs/dbraw/zinc/38/98/43/1073389843.db2.gz PUZZYNXCISUVHV-MPGHIAIKSA-N 2 0 441.548 -0.510 20 0 IBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220435231 1073391440 /nfs/dbraw/zinc/39/14/40/1073391440.db2.gz DMQYXEVZSKIKNU-GOSISDBHSA-N 2 0 425.555 -0.926 20 0 IBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220435232 1073391503 /nfs/dbraw/zinc/39/15/03/1073391503.db2.gz DMQYXEVZSKIKNU-SFHVURJKSA-N 2 0 425.555 -0.926 20 0 IBADRP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])nc3ccc(C)cc3n12 ZINC001220458560 1073391253 /nfs/dbraw/zinc/39/12/53/1073391253.db2.gz VTEYETPUPWTWGN-ZFWWWQNUSA-N 2 0 440.508 -0.502 20 0 IBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460199 1073391241 /nfs/dbraw/zinc/39/12/41/1073391241.db2.gz DJWPGSRRRMFTOM-YOEHRIQHSA-N 2 0 445.524 -0.796 20 0 IBADRP NC(=[NH2+])N(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)c1ccc(N2CCOCC2)cc1 ZINC001220460664 1073391349 /nfs/dbraw/zinc/39/13/49/1073391349.db2.gz UVIGRDLIJCETOU-INIZCTEOSA-N 2 0 425.497 -0.313 20 0 IBADRP NC(=[NH2+])N(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)c1ccc(N2CCOCC2)cc1 ZINC001220460665 1073391320 /nfs/dbraw/zinc/39/13/20/1073391320.db2.gz UVIGRDLIJCETOU-MRXNPFEDSA-N 2 0 425.497 -0.313 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481240 1073392084 /nfs/dbraw/zinc/39/20/84/1073392084.db2.gz AKIMODRIBCLZGN-JURYVKQJSA-N 2 0 441.573 -0.774 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481241 1073392039 /nfs/dbraw/zinc/39/20/39/1073392039.db2.gz AKIMODRIBCLZGN-YYYYNJOWSA-N 2 0 441.573 -0.774 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]([NH3+])c1ccccc1)C(=O)CF ZINC001220501879 1073392621 /nfs/dbraw/zinc/39/26/21/1073392621.db2.gz VLGOFMUHSORBMQ-FJXLLPKBSA-N 2 0 437.516 -0.296 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccccc1)C(=O)CF ZINC001220501880 1073392470 /nfs/dbraw/zinc/39/24/70/1073392470.db2.gz VLGOFMUHSORBMQ-YBKUAAOGSA-N 2 0 437.516 -0.296 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505276 1073392486 /nfs/dbraw/zinc/39/24/86/1073392486.db2.gz AAHUNXALZICDEC-DNMIOJKVSA-N 3 0 436.619 -0.622 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220505277 1073392593 /nfs/dbraw/zinc/39/25/93/1073392593.db2.gz AAHUNXALZICDEC-RCTIGPFSSA-N 3 0 436.619 -0.622 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505278 1073392580 /nfs/dbraw/zinc/39/25/80/1073392580.db2.gz AAHUNXALZICDEC-UULFGTGVSA-N 3 0 436.619 -0.622 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220505279 1073392609 /nfs/dbraw/zinc/39/26/09/1073392609.db2.gz AAHUNXALZICDEC-YMTDAVPBSA-N 3 0 436.619 -0.622 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNCc3ccnn32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505289 1073392369 /nfs/dbraw/zinc/39/23/69/1073392369.db2.gz AGCNNILXRSGSAZ-FAAMRNMBSA-N 2 0 438.573 -0.177 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNCc3ccnn32)[C@H](O)OC(C)(C)C)C1 ZINC001220505290 1073392509 /nfs/dbraw/zinc/39/25/09/1073392509.db2.gz AGCNNILXRSGSAZ-HJZQSHLLSA-N 2 0 438.573 -0.177 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CNCc3ccnn32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505291 1073392545 /nfs/dbraw/zinc/39/25/45/1073392545.db2.gz AGCNNILXRSGSAZ-NJGAOMSGSA-N 2 0 438.573 -0.177 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CNCc3ccnn32)[C@H](O)OC(C)(C)C)C1 ZINC001220505292 1073392453 /nfs/dbraw/zinc/39/24/53/1073392453.db2.gz AGCNNILXRSGSAZ-YYJCOMGZSA-N 2 0 438.573 -0.177 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505347 1073392425 /nfs/dbraw/zinc/39/24/25/1073392425.db2.gz BENMDFTUMJYWBB-DQWLROJASA-N 3 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505348 1073392499 /nfs/dbraw/zinc/39/24/99/1073392499.db2.gz BENMDFTUMJYWBB-DUUCEYBISA-N 3 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505349 1073392570 /nfs/dbraw/zinc/39/25/70/1073392570.db2.gz BENMDFTUMJYWBB-KBVRGVHISA-N 3 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505350 1073392437 /nfs/dbraw/zinc/39/24/37/1073392437.db2.gz BENMDFTUMJYWBB-RNULLNAKSA-N 3 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505395 1073392388 /nfs/dbraw/zinc/39/23/88/1073392388.db2.gz BXIAZSNNXIFTJG-AOCJLEPCSA-N 4 0 427.590 -0.909 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505396 1073392419 /nfs/dbraw/zinc/39/24/19/1073392419.db2.gz BXIAZSNNXIFTJG-LIKKTTQLSA-N 4 0 427.590 -0.909 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505397 1073392829 /nfs/dbraw/zinc/39/28/29/1073392829.db2.gz BXIAZSNNXIFTJG-RKYZWWOHSA-N 4 0 427.590 -0.909 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505398 1073392965 /nfs/dbraw/zinc/39/29/65/1073392965.db2.gz BXIAZSNNXIFTJG-ZRLASGMHSA-N 4 0 427.590 -0.909 20 0 IBADRP COC(=O)[C@@H](N)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 1073392871 /nfs/dbraw/zinc/39/28/71/1073392871.db2.gz CDASISDUILXZIK-AZQUSHFISA-N 2 0 432.562 -0.438 20 0 IBADRP COC(=O)[C@@H](N)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 1073392935 /nfs/dbraw/zinc/39/29/35/1073392935.db2.gz CDASISDUILXZIK-FUZQMIKYSA-N 2 0 432.562 -0.438 20 0 IBADRP COC(=O)[C@@H](N)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 1073393083 /nfs/dbraw/zinc/39/30/83/1073393083.db2.gz CDASISDUILXZIK-KDWNQABDSA-N 2 0 432.562 -0.438 20 0 IBADRP COC(=O)[C@@H](N)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 1073393035 /nfs/dbraw/zinc/39/30/35/1073393035.db2.gz CDASISDUILXZIK-SWLGVLRJSA-N 2 0 432.562 -0.438 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@H](O)OC(C)(C)C)C1 ZINC001220505537 1073392974 /nfs/dbraw/zinc/39/29/74/1073392974.db2.gz DSZKEBFOVVIBCF-IMYGGXQCSA-N 3 0 430.594 -0.065 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@H](O)OC(C)(C)C)C1 ZINC001220505538 1073392842 /nfs/dbraw/zinc/39/28/42/1073392842.db2.gz DSZKEBFOVVIBCF-NDVSXACPSA-N 3 0 430.594 -0.065 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505539 1073392810 /nfs/dbraw/zinc/39/28/10/1073392810.db2.gz DSZKEBFOVVIBCF-SARNLOFESA-N 3 0 430.594 -0.065 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505540 1073393002 /nfs/dbraw/zinc/39/30/02/1073393002.db2.gz DSZKEBFOVVIBCF-XQWZKXDRSA-N 3 0 430.594 -0.065 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505541 1073392989 /nfs/dbraw/zinc/39/29/89/1073392989.db2.gz DTIDSYVGPXXWAK-CVRVEFODSA-N 3 0 430.590 -0.358 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001220505542 1073392900 /nfs/dbraw/zinc/39/29/00/1073392900.db2.gz DTIDSYVGPXXWAK-HDHUKYPVSA-N 3 0 430.590 -0.358 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001220505543 1073393019 /nfs/dbraw/zinc/39/30/19/1073393019.db2.gz DTIDSYVGPXXWAK-MFTZQUKCSA-N 3 0 430.590 -0.358 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505544 1073393054 /nfs/dbraw/zinc/39/30/54/1073393054.db2.gz DTIDSYVGPXXWAK-YKVPMEROSA-N 3 0 430.590 -0.358 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC3(C[NH2+]C3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505606 1073393065 /nfs/dbraw/zinc/39/30/65/1073393065.db2.gz FNDBHTKTZVMPLM-HMYPWROXSA-N 3 0 428.574 -0.197 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505607 1073392917 /nfs/dbraw/zinc/39/29/17/1073392917.db2.gz FNDBHTKTZVMPLM-RKYZWWOHSA-N 3 0 428.574 -0.197 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC3(C[NH2+]C3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220505608 1073393484 /nfs/dbraw/zinc/39/34/84/1073393484.db2.gz FNDBHTKTZVMPLM-SQZHQNNWSA-N 3 0 428.574 -0.197 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220505609 1073393566 /nfs/dbraw/zinc/39/35/66/1073393566.db2.gz FNDBHTKTZVMPLM-ZRLASGMHSA-N 3 0 428.574 -0.197 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220505724 1073393597 /nfs/dbraw/zinc/39/35/97/1073393597.db2.gz GTNCLZCYOUHAEW-BEIYGRMHSA-N 3 0 434.578 -0.726 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220505725 1073393501 /nfs/dbraw/zinc/39/35/01/1073393501.db2.gz GTNCLZCYOUHAEW-BGJMDTOESA-N 3 0 434.578 -0.726 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505726 1073393412 /nfs/dbraw/zinc/39/34/12/1073393412.db2.gz GTNCLZCYOUHAEW-FYAJOAKPSA-N 3 0 434.578 -0.726 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505727 1073393336 /nfs/dbraw/zinc/39/33/36/1073393336.db2.gz GTNCLZCYOUHAEW-QAGGRKNESA-N 3 0 434.578 -0.726 20 0 IBADRP 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+])C[NH2+]C1 ZINC001220505740 1073393519 /nfs/dbraw/zinc/39/35/19/1073393519.db2.gz HBOFUKBLUUSYOG-GMHRPJKWSA-N 3 0 444.573 -0.565 20 0 IBADRP 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+])C[NH2+]C1 ZINC001220505741 1073393293 /nfs/dbraw/zinc/39/32/93/1073393293.db2.gz HBOFUKBLUUSYOG-SIBFUHKCSA-N 3 0 444.573 -0.565 20 0 IBADRP 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+])C[NH2+]C1 ZINC001220505742 1073393550 /nfs/dbraw/zinc/39/35/50/1073393550.db2.gz HBOFUKBLUUSYOG-XHWCBRGXSA-N 3 0 444.573 -0.565 20 0 IBADRP 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+])C[NH2+]C1 ZINC001220505743 1073393310 /nfs/dbraw/zinc/39/33/10/1073393310.db2.gz HBOFUKBLUUSYOG-ZAHIEGGZSA-N 3 0 444.573 -0.565 20 0 IBADRP CC(=O)O[C@@H]1C[NH2+]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+] ZINC001220505772 1073393431 /nfs/dbraw/zinc/39/34/31/1073393431.db2.gz HPZKGZMQMCGOEC-APXNMDOFSA-N 3 0 444.573 -0.567 20 0 IBADRP CC(=O)O[C@@H]1C[NH2+]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+] ZINC001220505773 1073393537 /nfs/dbraw/zinc/39/35/37/1073393537.db2.gz HPZKGZMQMCGOEC-HRQNRUDASA-N 3 0 444.573 -0.567 20 0 IBADRP CC(=O)O[C@@H]1C[NH2+]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+] ZINC001220505774 1073393582 /nfs/dbraw/zinc/39/35/82/1073393582.db2.gz HPZKGZMQMCGOEC-IFOXIEKZSA-N 3 0 444.573 -0.567 20 0 IBADRP CC(=O)O[C@@H]1C[NH2+]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+] ZINC001220505775 1073393322 /nfs/dbraw/zinc/39/33/22/1073393322.db2.gz HPZKGZMQMCGOEC-YCUVNJAFSA-N 3 0 444.573 -0.567 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220505821 1073393611 /nfs/dbraw/zinc/39/36/11/1073393611.db2.gz IIVANRHAJBFCPA-CTIVZNKISA-N 3 0 428.574 -0.484 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220505822 1073393466 /nfs/dbraw/zinc/39/34/66/1073393466.db2.gz IIVANRHAJBFCPA-NPXPAPPNSA-N 3 0 428.574 -0.484 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220505823 1073393355 /nfs/dbraw/zinc/39/33/55/1073393355.db2.gz IIVANRHAJBFCPA-RVLSYCNBSA-N 3 0 428.574 -0.484 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220505824 1073393399 /nfs/dbraw/zinc/39/33/99/1073393399.db2.gz IIVANRHAJBFCPA-RVXOUHCCSA-N 3 0 428.574 -0.484 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001220505855 1073393371 /nfs/dbraw/zinc/39/33/71/1073393371.db2.gz JAORDMMNZZXCJB-IEOZYHAZSA-N 3 0 426.562 -0.425 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001220505856 1073393449 /nfs/dbraw/zinc/39/34/49/1073393449.db2.gz JAORDMMNZZXCJB-IUCWBUGQSA-N 3 0 426.562 -0.425 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001220505857 1073393832 /nfs/dbraw/zinc/39/38/32/1073393832.db2.gz JAORDMMNZZXCJB-JWTUNDGGSA-N 3 0 426.562 -0.425 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505858 1073393950 /nfs/dbraw/zinc/39/39/50/1073393950.db2.gz JAORDMMNZZXCJB-LNKPAYBBSA-N 3 0 426.562 -0.425 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505859 1073394001 /nfs/dbraw/zinc/39/40/01/1073394001.db2.gz JAORDMMNZZXCJB-QLONAOMFSA-N 3 0 426.562 -0.425 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505860 1073394066 /nfs/dbraw/zinc/39/40/66/1073394066.db2.gz JAORDMMNZZXCJB-TVEHDNJASA-N 3 0 426.562 -0.425 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220505862 1073394026 /nfs/dbraw/zinc/39/40/26/1073394026.db2.gz JCONATZUAGEAPI-ABWNYZJXSA-N 3 0 429.606 -0.376 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505863 1073393975 /nfs/dbraw/zinc/39/39/75/1073393975.db2.gz JCONATZUAGEAPI-CBOSDZJASA-N 3 0 429.606 -0.376 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505864 1073393908 /nfs/dbraw/zinc/39/39/08/1073393908.db2.gz JCONATZUAGEAPI-LPXKSRHMSA-N 3 0 429.606 -0.376 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220505865 1073394099 /nfs/dbraw/zinc/39/40/99/1073394099.db2.gz JCONATZUAGEAPI-MBKANNOKSA-N 3 0 429.606 -0.376 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505878 1073393880 /nfs/dbraw/zinc/39/38/80/1073393880.db2.gz JHGUCIIZYUPGOP-DIJZNCSHSA-N 3 0 428.574 -0.341 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220505879 1073394169 /nfs/dbraw/zinc/39/41/69/1073394169.db2.gz JHGUCIIZYUPGOP-SKYLPTCNSA-N 3 0 428.574 -0.341 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220505880 1073394085 /nfs/dbraw/zinc/39/40/85/1073394085.db2.gz JHGUCIIZYUPGOP-YFNZZESYSA-N 3 0 428.574 -0.341 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505881 1073393929 /nfs/dbraw/zinc/39/39/29/1073393929.db2.gz JHGUCIIZYUPGOP-YYXHZAJQSA-N 3 0 428.574 -0.341 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])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+] ZINC001220505938 1073394188 /nfs/dbraw/zinc/39/41/88/1073394188.db2.gz JNSRDUWYYMVHBT-CPVUPJMFSA-N 4 0 431.622 -0.001 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])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+] ZINC001220505941 1073394208 /nfs/dbraw/zinc/39/42/08/1073394208.db2.gz JNSRDUWYYMVHBT-DWGVPJFMSA-N 4 0 431.622 -0.001 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])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+] ZINC001220505942 1073394147 /nfs/dbraw/zinc/39/41/47/1073394147.db2.gz JNSRDUWYYMVHBT-IHEFFSNCSA-N 4 0 431.622 -0.001 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])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+] ZINC001220505943 1073394117 /nfs/dbraw/zinc/39/41/17/1073394117.db2.gz JNSRDUWYYMVHBT-XUBKROCYSA-N 4 0 431.622 -0.001 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506050 1073394053 /nfs/dbraw/zinc/39/40/53/1073394053.db2.gz KMFCFOSGCOSGEU-HLGHLWCTSA-N 3 0 427.590 -0.768 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506051 1073393894 /nfs/dbraw/zinc/39/38/94/1073393894.db2.gz KMFCFOSGCOSGEU-JHPDONJVSA-N 3 0 427.590 -0.768 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@H](O)OC(C)(C)C)C1 ZINC001220506052 1073394132 /nfs/dbraw/zinc/39/41/32/1073394132.db2.gz KMFCFOSGCOSGEU-LHAUDXPZSA-N 3 0 427.590 -0.768 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@H](O)OC(C)(C)C)C1 ZINC001220506053 1073393863 /nfs/dbraw/zinc/39/38/63/1073393863.db2.gz KMFCFOSGCOSGEU-OAZOAHQASA-N 3 0 427.590 -0.768 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506158 1073394454 /nfs/dbraw/zinc/39/44/54/1073394454.db2.gz LEWIAIWOMDHPIP-FMCFTNBYSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506160 1073394755 /nfs/dbraw/zinc/39/47/55/1073394755.db2.gz LEWIAIWOMDHPIP-JCTFZMBRSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506161 1073394608 /nfs/dbraw/zinc/39/46/08/1073394608.db2.gz LEWIAIWOMDHPIP-JTVCPLHISA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506162 1073394670 /nfs/dbraw/zinc/39/46/70/1073394670.db2.gz LEWIAIWOMDHPIP-KZTUBPIMSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220506368 1073394790 /nfs/dbraw/zinc/39/47/90/1073394790.db2.gz MJDZHRMDRKZUJY-GMDVHLNESA-N 3 0 430.590 -0.213 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220506369 1073394435 /nfs/dbraw/zinc/39/44/35/1073394435.db2.gz MJDZHRMDRKZUJY-JSBNFDKTSA-N 3 0 430.590 -0.213 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506370 1073394633 /nfs/dbraw/zinc/39/46/33/1073394633.db2.gz MJDZHRMDRKZUJY-PAQFRHATSA-N 3 0 430.590 -0.213 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506371 1073394596 /nfs/dbraw/zinc/39/45/96/1073394596.db2.gz MJDZHRMDRKZUJY-SOOOQOMNSA-N 3 0 430.590 -0.213 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506652 1073394779 /nfs/dbraw/zinc/39/47/79/1073394779.db2.gz PBOAGVVRAKXSST-HSGSIZQLSA-N 3 0 431.578 -0.735 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506653 1073394516 /nfs/dbraw/zinc/39/45/16/1073394516.db2.gz PBOAGVVRAKXSST-PAUSBUDFSA-N 3 0 431.578 -0.735 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506654 1073394651 /nfs/dbraw/zinc/39/46/51/1073394651.db2.gz PBOAGVVRAKXSST-QTUVYZQZSA-N 3 0 431.578 -0.735 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506655 1073394769 /nfs/dbraw/zinc/39/47/69/1073394769.db2.gz PBOAGVVRAKXSST-VRBUCKFRSA-N 3 0 431.578 -0.735 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220506820 1073394552 /nfs/dbraw/zinc/39/45/52/1073394552.db2.gz PVOGVMNVOQENCD-DWGVPJFMSA-N 4 0 429.606 -0.391 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506821 1073394720 /nfs/dbraw/zinc/39/47/20/1073394720.db2.gz PVOGVMNVOQENCD-IHEFFSNCSA-N 4 0 429.606 -0.391 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220506822 1073394503 /nfs/dbraw/zinc/39/45/03/1073394503.db2.gz PVOGVMNVOQENCD-RJENKUHMSA-N 4 0 429.606 -0.391 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506823 1073394534 /nfs/dbraw/zinc/39/45/34/1073394534.db2.gz PVOGVMNVOQENCD-YORKTUFCSA-N 4 0 429.606 -0.391 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506824 1073394736 /nfs/dbraw/zinc/39/47/36/1073394736.db2.gz PVPUYUSJBCEVCH-AELFRYFLSA-N 2 0 439.561 -0.710 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506825 1073394696 /nfs/dbraw/zinc/39/46/96/1073394696.db2.gz PVPUYUSJBCEVCH-DPSXKDBOSA-N 2 0 439.561 -0.710 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506826 1073394478 /nfs/dbraw/zinc/39/44/78/1073394478.db2.gz PVPUYUSJBCEVCH-SVZGUOJNSA-N 2 0 439.561 -0.710 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2nnn3c2CNCC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506827 1073394572 /nfs/dbraw/zinc/39/45/72/1073394572.db2.gz PVPUYUSJBCEVCH-ZGDBRWAVSA-N 2 0 439.561 -0.710 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506857 1073395047 /nfs/dbraw/zinc/39/50/47/1073395047.db2.gz QDHJGKDLIXEVIZ-BVBVUKCESA-N 3 0 443.589 -0.850 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506858 1073395315 /nfs/dbraw/zinc/39/53/15/1073395315.db2.gz QDHJGKDLIXEVIZ-IGVQRDAMSA-N 3 0 443.589 -0.850 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506859 1073394941 /nfs/dbraw/zinc/39/49/41/1073394941.db2.gz QDHJGKDLIXEVIZ-JYLMTPQZSA-N 3 0 443.589 -0.850 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506860 1073394912 /nfs/dbraw/zinc/39/49/12/1073394912.db2.gz QDHJGKDLIXEVIZ-PSJNWGMYSA-N 3 0 443.589 -0.850 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220506999 1073395209 /nfs/dbraw/zinc/39/52/09/1073395209.db2.gz QYKFZTDAQVLNLP-HSIZOEMOSA-N 3 0 443.589 -0.768 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507000 1073394888 /nfs/dbraw/zinc/39/48/88/1073394888.db2.gz QYKFZTDAQVLNLP-HZORIUTHSA-N 3 0 443.589 -0.768 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507001 1073395068 /nfs/dbraw/zinc/39/50/68/1073395068.db2.gz QYKFZTDAQVLNLP-MMEQEAHYSA-N 3 0 443.589 -0.768 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507002 1073395119 /nfs/dbraw/zinc/39/51/19/1073395119.db2.gz QYKFZTDAQVLNLP-VXONEUGFSA-N 3 0 443.589 -0.768 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220507003 1073395340 /nfs/dbraw/zinc/39/53/40/1073395340.db2.gz QYNCRCBENPJQHB-OPUYFTITSA-N 3 0 442.601 -0.094 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220507004 1073395261 /nfs/dbraw/zinc/39/52/61/1073395261.db2.gz QYNCRCBENPJQHB-QKMXJJJSSA-N 3 0 442.601 -0.094 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220507005 1073395292 /nfs/dbraw/zinc/39/52/92/1073395292.db2.gz QYNCRCBENPJQHB-SXVSYTOMSA-N 3 0 442.601 -0.094 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220507006 1073395235 /nfs/dbraw/zinc/39/52/35/1073395235.db2.gz QYNCRCBENPJQHB-XFGNPXAVSA-N 3 0 442.601 -0.094 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507019 1073395024 /nfs/dbraw/zinc/39/50/24/1073395024.db2.gz RBZCOHGNCIOXQT-BBAVMRQUSA-N 4 0 435.635 -0.699 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507020 1073395365 /nfs/dbraw/zinc/39/53/65/1073395365.db2.gz RBZCOHGNCIOXQT-QPMXBGOESA-N 4 0 435.635 -0.699 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507021 1073395085 /nfs/dbraw/zinc/39/50/85/1073395085.db2.gz RBZCOHGNCIOXQT-WELJMZOKSA-N 4 0 435.635 -0.699 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507022 1073395105 /nfs/dbraw/zinc/39/51/05/1073395105.db2.gz RBZCOHGNCIOXQT-ZRNNSCFXSA-N 4 0 435.635 -0.699 20 0 IBADRP Cn1cncc1C[C@H]([NH3+])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 1073394974 /nfs/dbraw/zinc/39/49/74/1073394974.db2.gz RYJTXEAVARWDKI-AYVQPJNESA-N 3 0 440.589 -0.415 20 0 IBADRP Cn1cncc1C[C@H]([NH3+])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 1073395182 /nfs/dbraw/zinc/39/51/82/1073395182.db2.gz RYJTXEAVARWDKI-FAAMRNMBSA-N 3 0 440.589 -0.415 20 0 IBADRP Cn1cncc1C[C@H]([NH3+])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 1073395158 /nfs/dbraw/zinc/39/51/58/1073395158.db2.gz RYJTXEAVARWDKI-HJZQSHLLSA-N 3 0 440.589 -0.415 20 0 IBADRP Cn1cncc1C[C@H]([NH3+])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 1073395136 /nfs/dbraw/zinc/39/51/36/1073395136.db2.gz RYJTXEAVARWDKI-VIEQHGRHSA-N 3 0 440.589 -0.415 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507133 1073395928 /nfs/dbraw/zinc/39/59/28/1073395928.db2.gz SUAGPOVCEWFMSV-NJSXLEHNSA-N 3 0 428.574 -0.482 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507134 1073395913 /nfs/dbraw/zinc/39/59/13/1073395913.db2.gz SUAGPOVCEWFMSV-TXRLXJQQSA-N 3 0 428.574 -0.482 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507135 1073395863 /nfs/dbraw/zinc/39/58/63/1073395863.db2.gz SUAGPOVCEWFMSV-VIZJMNRKSA-N 3 0 428.574 -0.482 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507136 1073395660 /nfs/dbraw/zinc/39/56/60/1073395660.db2.gz SUAGPOVCEWFMSV-WIEUCETKSA-N 3 0 428.574 -0.482 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507179 1073395635 /nfs/dbraw/zinc/39/56/35/1073395635.db2.gz TWSVZWHBMBXFIC-FAEUKAQKSA-N 3 0 427.590 -0.496 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507180 1073395766 /nfs/dbraw/zinc/39/57/66/1073395766.db2.gz TWSVZWHBMBXFIC-KYRFFOQWSA-N 3 0 427.590 -0.496 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507181 1073395733 /nfs/dbraw/zinc/39/57/33/1073395733.db2.gz TWSVZWHBMBXFIC-OSRKFRNWSA-N 3 0 427.590 -0.496 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507182 1073395564 /nfs/dbraw/zinc/39/55/64/1073395564.db2.gz TWSVZWHBMBXFIC-YSWCHZLZSA-N 3 0 427.590 -0.496 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cn2cccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507208 1073395544 /nfs/dbraw/zinc/39/55/44/1073395544.db2.gz UKNMEMYDPKBINT-LAIMCUOGSA-N 3 0 426.562 -0.494 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cn2cccn2)[C@H](O)OC(C)(C)C)C1 ZINC001220507209 1073395879 /nfs/dbraw/zinc/39/58/79/1073395879.db2.gz UKNMEMYDPKBINT-QQPKDZIPSA-N 3 0 426.562 -0.494 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cn2cccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507210 1073395898 /nfs/dbraw/zinc/39/58/98/1073395898.db2.gz UKNMEMYDPKBINT-RKYZWWOHSA-N 3 0 426.562 -0.494 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cn2cccn2)[C@H](O)OC(C)(C)C)C1 ZINC001220507211 1073395703 /nfs/dbraw/zinc/39/57/03/1073395703.db2.gz UKNMEMYDPKBINT-ZRLASGMHSA-N 3 0 426.562 -0.494 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507212 1073395846 /nfs/dbraw/zinc/39/58/46/1073395846.db2.gz UKNUAQJVTKLPJO-IGVKYNMGSA-N 3 0 427.590 -0.767 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@H](O)OC(C)(C)C)C1 ZINC001220507213 1073395680 /nfs/dbraw/zinc/39/56/80/1073395680.db2.gz UKNUAQJVTKLPJO-NJSXLEHNSA-N 3 0 427.590 -0.767 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)[C@H](O)OC(C)(C)C)C1 ZINC001220507214 1073395587 /nfs/dbraw/zinc/39/55/87/1073395587.db2.gz UKNUAQJVTKLPJO-UABVXYMQSA-N 3 0 427.590 -0.767 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507215 1073395830 /nfs/dbraw/zinc/39/58/30/1073395830.db2.gz UKNUAQJVTKLPJO-WIEUCETKSA-N 3 0 427.590 -0.767 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507231 1073395947 /nfs/dbraw/zinc/39/59/47/1073395947.db2.gz UOCUUCRCVVDBTL-AODHUNPMSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507232 1073395608 /nfs/dbraw/zinc/39/56/08/1073395608.db2.gz UOCUUCRCVVDBTL-DZKZAWRRSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507233 1073395796 /nfs/dbraw/zinc/39/57/96/1073395796.db2.gz UOCUUCRCVVDBTL-REDDJGESSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507234 1073395965 /nfs/dbraw/zinc/39/59/65/1073395965.db2.gz UOCUUCRCVVDBTL-YYVUJICRSA-N 2 0 438.573 -0.105 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)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+] ZINC001220507319 1073396439 /nfs/dbraw/zinc/39/64/39/1073396439.db2.gz VUIGLEQSRKMXHQ-ATVPTECVSA-N 3 0 431.578 -0.866 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)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+] ZINC001220507320 1073396296 /nfs/dbraw/zinc/39/62/96/1073396296.db2.gz VUIGLEQSRKMXHQ-RAIGWLFXSA-N 3 0 431.578 -0.866 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)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+] ZINC001220507321 1073396459 /nfs/dbraw/zinc/39/64/59/1073396459.db2.gz VUIGLEQSRKMXHQ-RTYLXBGUSA-N 3 0 431.578 -0.866 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)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+] ZINC001220507322 1073396517 /nfs/dbraw/zinc/39/65/17/1073396517.db2.gz VUIGLEQSRKMXHQ-WLGYCZFTSA-N 3 0 431.578 -0.866 20 0 IBADRP CN(CC(=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+])[C@@H]1CCC[NH2+]C1 ZINC001220507335 1073396364 /nfs/dbraw/zinc/39/63/64/1073396364.db2.gz WCXRCLFOHKUONB-DVFHKXEWSA-N 3 0 443.633 -0.034 20 0 IBADRP CN(CC(=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+])[C@H]1CCC[NH2+]C1 ZINC001220507336 1073396330 /nfs/dbraw/zinc/39/63/30/1073396330.db2.gz WCXRCLFOHKUONB-HRFMKDBOSA-N 3 0 443.633 -0.034 20 0 IBADRP CN(CC(=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+])[C@H]1CCC[NH2+]C1 ZINC001220507337 1073396215 /nfs/dbraw/zinc/39/62/15/1073396215.db2.gz WCXRCLFOHKUONB-IJKWGBFBSA-N 3 0 443.633 -0.034 20 0 IBADRP CN(CC(=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+])[C@@H]1CCC[NH2+]C1 ZINC001220507338 1073396421 /nfs/dbraw/zinc/39/64/21/1073396421.db2.gz WCXRCLFOHKUONB-ZTEVBBAKSA-N 3 0 443.633 -0.034 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220507369 1073396382 /nfs/dbraw/zinc/39/63/82/1073396382.db2.gz WQXZPEONIFRUAD-GNICKWGQSA-N 3 0 427.546 -0.744 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220507370 1073396348 /nfs/dbraw/zinc/39/63/48/1073396348.db2.gz WQXZPEONIFRUAD-GPGDMKIHSA-N 3 0 427.546 -0.744 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220507371 1073396555 /nfs/dbraw/zinc/39/65/55/1073396555.db2.gz WQXZPEONIFRUAD-KFNDXXQJSA-N 3 0 427.546 -0.744 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220507372 1073396316 /nfs/dbraw/zinc/39/63/16/1073396316.db2.gz WQXZPEONIFRUAD-OCQLTVAKSA-N 3 0 427.546 -0.744 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507475 1073396184 /nfs/dbraw/zinc/39/61/84/1073396184.db2.gz YUZQWBPVCGUMLP-DQWLROJASA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507476 1073396481 /nfs/dbraw/zinc/39/64/81/1073396481.db2.gz YUZQWBPVCGUMLP-DUUCEYBISA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507477 1073396272 /nfs/dbraw/zinc/39/62/72/1073396272.db2.gz YUZQWBPVCGUMLP-KBVRGVHISA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CCNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507478 1073396238 /nfs/dbraw/zinc/39/62/38/1073396238.db2.gz YUZQWBPVCGUMLP-RNULLNAKSA-N 2 0 438.573 -0.105 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507516 1073396543 /nfs/dbraw/zinc/39/65/43/1073396543.db2.gz ZJQCXNIXGPIUBX-IGTUZVPQSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507517 1073396580 /nfs/dbraw/zinc/39/65/80/1073396580.db2.gz ZJQCXNIXGPIUBX-KLWOWTALSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507518 1073396592 /nfs/dbraw/zinc/39/65/92/1073396592.db2.gz ZJQCXNIXGPIUBX-QGOMOXGRSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507519 1073396408 /nfs/dbraw/zinc/39/64/08/1073396408.db2.gz ZJQCXNIXGPIUBX-YAKLFMFLSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CC[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507520 1073397008 /nfs/dbraw/zinc/39/70/08/1073397008.db2.gz ZKUDCVAHJBSUJJ-IGTUZVPQSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CC[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507521 1073396750 /nfs/dbraw/zinc/39/67/50/1073396750.db2.gz ZKUDCVAHJBSUJJ-KLWOWTALSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CC[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507522 1073396917 /nfs/dbraw/zinc/39/69/17/1073396917.db2.gz ZKUDCVAHJBSUJJ-QGOMOXGRSA-N 3 0 438.573 -0.035 20 0 IBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2n[nH]c3c2CC[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507523 1073396861 /nfs/dbraw/zinc/39/68/61/1073396861.db2.gz ZKUDCVAHJBSUJJ-YAKLFMFLSA-N 3 0 438.573 -0.035 20 0 IBADRP COC(=O)CC[C@H]([NH3+])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+] ZINC001220507555 1073396781 /nfs/dbraw/zinc/39/67/81/1073396781.db2.gz ZTDKMKLBQCQMGM-AZQUSHFISA-N 3 0 432.562 -0.438 20 0 IBADRP COC(=O)CC[C@H]([NH3+])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+] ZINC001220507556 1073396878 /nfs/dbraw/zinc/39/68/78/1073396878.db2.gz ZTDKMKLBQCQMGM-FUZQMIKYSA-N 3 0 432.562 -0.438 20 0 IBADRP COC(=O)CC[C@H]([NH3+])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+] ZINC001220507557 1073396841 /nfs/dbraw/zinc/39/68/41/1073396841.db2.gz ZTDKMKLBQCQMGM-KDWNQABDSA-N 3 0 432.562 -0.438 20 0 IBADRP COC(=O)CC[C@H]([NH3+])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+] ZINC001220507558 1073396693 /nfs/dbraw/zinc/39/66/93/1073396693.db2.gz ZTDKMKLBQCQMGM-SWLGVLRJSA-N 3 0 432.562 -0.438 20 0 IBADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc2)CC1 ZINC001220515805 1073398118 /nfs/dbraw/zinc/39/81/18/1073398118.db2.gz LEVVCQLLOLKIPF-BIPUWPRCSA-N 2 0 432.525 -0.583 20 0 IBADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc2)CC1 ZINC001220516003 1073398100 /nfs/dbraw/zinc/39/81/00/1073398100.db2.gz OKARSWVWTCHTEN-WIJBEPPQSA-N 2 0 446.552 -0.193 20 0 IBADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CN(CC[NH3+])S(C)(=O)=O)cc2)CC1 ZINC001220516376 1073398181 /nfs/dbraw/zinc/39/81/81/1073398181.db2.gz UYXLGHIYJJIKSM-QQFBHYJXSA-N 2 0 425.555 -0.071 20 0 IBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCCOCCOCC[NH3+])c2)cc1 ZINC001220517452 1073398216 /nfs/dbraw/zinc/39/82/16/1073398216.db2.gz MAVODAUAXJWSDL-GOSISDBHSA-N 2 0 439.538 -0.594 20 0 IBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519557 1073398544 /nfs/dbraw/zinc/39/85/44/1073398544.db2.gz SASYCEGGQWKNAX-SFHVURJKSA-N 2 0 430.571 -0.121 20 0 IBADRP CCOC(=O)C1=C(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC001220522811 1073398518 /nfs/dbraw/zinc/39/85/18/1073398518.db2.gz FNWHDROPIATPKF-IRXDYDNUSA-N 2 0 437.541 -0.688 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220527108 1073398453 /nfs/dbraw/zinc/39/84/53/1073398453.db2.gz DUUCQHSIJIEGAE-LIRRHRJNSA-N 2 0 428.537 -0.002 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220535731 1073398558 /nfs/dbraw/zinc/39/85/58/1073398558.db2.gz KRSXKBVUKADZCJ-WMQCIHAUSA-N 2 0 428.533 -0.010 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220535732 1073398483 /nfs/dbraw/zinc/39/84/83/1073398483.db2.gz KRSXKBVUKADZCJ-YYWHXJBOSA-N 2 0 428.533 -0.010 20 0 IBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1)C(N)=O ZINC001220535983 1073398830 /nfs/dbraw/zinc/39/88/30/1073398830.db2.gz QZRHDRCQYYDRCC-GXTWGEPZSA-N 2 0 427.527 -0.961 20 0 IBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001220535999 1073398660 /nfs/dbraw/zinc/39/86/60/1073398660.db2.gz RHKMQGFBVARJEW-HNNXBMFYSA-N 2 0 433.538 -0.121 20 0 IBADRP CC(C)([NH3+])CN(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001220536000 1073398816 /nfs/dbraw/zinc/39/88/16/1073398816.db2.gz RHKMQGFBVARJEW-OAHLLOKOSA-N 2 0 433.538 -0.121 20 0 IBADRP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H](N)C[NH3+])nc2C(N)=O)nc1C ZINC001220564783 1073400275 /nfs/dbraw/zinc/40/02/75/1073400275.db2.gz FVXHLPFVBZXJDX-SOUVJXGZSA-N 2 0 441.540 -0.166 20 0 IBADRP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H](O)C[NH3+])nc2C(N)=O)nc1C ZINC001220565006 1073400320 /nfs/dbraw/zinc/40/03/20/1073400320.db2.gz IJXNBBLVUBDNRR-LZWOXQAQSA-N 2 0 442.524 -0.132 20 0 IBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001220583611 1073400840 /nfs/dbraw/zinc/40/08/40/1073400840.db2.gz QYVQQPYRMBGRBL-QGZVFWFLSA-N 2 0 437.522 -0.351 20 0 IBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001220585706 1073401031 /nfs/dbraw/zinc/40/10/31/1073401031.db2.gz VOGNDBHTOWPBSN-JYJNAYRXSA-N 2 0 427.546 -0.794 20 0 IBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220585771 1073400998 /nfs/dbraw/zinc/40/09/98/1073400998.db2.gz XTMVJJBYQLVWDV-PXNSSMCTSA-N 2 0 449.552 -0.836 20 0 IBADRP C[N@@H+]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)c3ccccn3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001220622374 1073400912 /nfs/dbraw/zinc/40/09/12/1073400912.db2.gz LWBOQMFXHMMECT-KRWDZBQOSA-N 2 0 437.566 -0.196 20 0 IBADRP C[N@@H+]1C[C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccn3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001220622375 1073400880 /nfs/dbraw/zinc/40/08/80/1073400880.db2.gz LWBOQMFXHMMECT-QGZVFWFLSA-N 2 0 437.566 -0.196 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(=O)CF ZINC001220681127 1073402247 /nfs/dbraw/zinc/40/22/47/1073402247.db2.gz WJNLKXOHUBYIBN-GTPBXFKWSA-N 2 0 441.548 -0.323 20 0 IBADRP Cn1nc(Cl)c(I)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1=O ZINC001220730387 1073403021 /nfs/dbraw/zinc/40/30/21/1073403021.db2.gz XIXXJYRICVJJGI-YFKPBYRVSA-N 2 0 431.687 -0.004 20 0 IBADRP COc1ccc(CC[NH+]2CCC(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2)cc1 ZINC001220744037 1073403117 /nfs/dbraw/zinc/40/31/17/1073403117.db2.gz ZAYINOWUAZWKAX-HNAYVOBHSA-N 2 0 433.553 -0.084 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])Cc2cscn2)c2nonc21 ZINC001220745901 1073402965 /nfs/dbraw/zinc/40/29/65/1073402965.db2.gz GIHSISDAEYZPKZ-NSHDSACASA-N 2 0 439.523 -0.209 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])Cc2cncn2C)c2nonc21 ZINC001220745913 1073403153 /nfs/dbraw/zinc/40/31/53/1073403153.db2.gz GRVGQEMEOGOWKJ-LBPRGKRZSA-N 2 0 436.498 -0.932 20 0 IBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220746141 1073403107 /nfs/dbraw/zinc/40/31/07/1073403107.db2.gz OTFTZEWZCMHHJR-PMACEKPBSA-N 2 0 427.505 -0.081 20 0 IBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220746298 1073403768 /nfs/dbraw/zinc/40/37/68/1073403768.db2.gz VDCOBOJAANMKSX-JTQLQIEISA-N 2 0 428.471 -0.955 20 0 IBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220746299 1073403838 /nfs/dbraw/zinc/40/38/38/1073403838.db2.gz VDCOBOJAANMKSX-SNVBAGLBSA-N 2 0 428.471 -0.955 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)c2nonc21 ZINC001220746349 1073403804 /nfs/dbraw/zinc/40/38/04/1073403804.db2.gz XCNWCAMAYDVRIU-GFCCVEGCSA-N 2 0 448.509 -0.619 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)c2nonc21 ZINC001220746350 1073403617 /nfs/dbraw/zinc/40/36/17/1073403617.db2.gz XCNWCAMAYDVRIU-LBPRGKRZSA-N 2 0 448.509 -0.619 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CCCCNC(N)=[NH2+])c2nonc21 ZINC001220747883 1073403692 /nfs/dbraw/zinc/40/36/92/1073403692.db2.gz BCGSZAHZEHAEHF-UHFFFAOYSA-N 2 0 426.503 -0.582 20 0 IBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220747918 1073403779 /nfs/dbraw/zinc/40/37/79/1073403779.db2.gz BZPYFLOONVWYKA-LBPRGKRZSA-N 3 0 427.531 -0.518 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2noc3c2C[NH2+]CC3)c2nonc21 ZINC001220747952 1073403787 /nfs/dbraw/zinc/40/37/87/1073403787.db2.gz CTJLUWGOZGNPFU-UHFFFAOYSA-N 2 0 435.466 -0.288 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)c2nonc21 ZINC001220748070 1073403726 /nfs/dbraw/zinc/40/37/26/1073403726.db2.gz DEWUTDOWKMHDQZ-KRWDZBQOSA-N 2 0 437.482 -0.727 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)c2nonc21 ZINC001220748071 1073403785 /nfs/dbraw/zinc/40/37/85/1073403785.db2.gz DEWUTDOWKMHDQZ-QGZVFWFLSA-N 2 0 437.482 -0.727 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN(C)[C@@H]2CCC[NH2+]C2)c2nonc21 ZINC001220748122 1073403717 /nfs/dbraw/zinc/40/37/17/1073403717.db2.gz FSBJHKPAFMUXGA-CYBMUJFWSA-N 2 0 439.542 -0.551 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN(C)[C@H]2CCC[NH2+]C2)c2nonc21 ZINC001220748123 1073403817 /nfs/dbraw/zinc/40/38/17/1073403817.db2.gz FSBJHKPAFMUXGA-ZDUSSCGKSA-N 2 0 439.542 -0.551 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)c2nonc21 ZINC001220748140 1073403637 /nfs/dbraw/zinc/40/36/37/1073403637.db2.gz GGKLDKQSDWHPID-FPMFFAJLSA-N 2 0 438.510 -0.468 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ncn3c2C[NH2+]CC3)c2nonc21 ZINC001220748430 1073403825 /nfs/dbraw/zinc/40/38/25/1073403825.db2.gz JNUNITRCGXNTBC-UHFFFAOYSA-N 2 0 434.482 -0.622 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2n[nH]c3c2C[NH2+]CC3)c2nonc21 ZINC001220748446 1073403752 /nfs/dbraw/zinc/40/37/52/1073403752.db2.gz JVVOFKDGTYYMNS-UHFFFAOYSA-N 2 0 434.482 -0.553 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)c2nonc21 ZINC001220748669 1073403834 /nfs/dbraw/zinc/40/38/34/1073403834.db2.gz LEYXKSLFFSCRMH-MRVWCRGKSA-N 2 0 438.510 -0.326 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cnc3n2CC[NH2+]CC3)c2nonc21 ZINC001220748714 1073404416 /nfs/dbraw/zinc/40/44/16/1073404416.db2.gz LWECYZWTHCAEAP-UHFFFAOYSA-N 2 0 448.509 -0.579 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)c2nonc21 ZINC001220748732 1073404271 /nfs/dbraw/zinc/40/42/71/1073404271.db2.gz MIPCTOLYEFJHQA-FPMFFAJLSA-N 2 0 438.510 -0.468 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c2nonc21 ZINC001220749080 1073404283 /nfs/dbraw/zinc/40/42/83/1073404283.db2.gz PKAWEVZESCUPOC-ZDUSSCGKSA-N 3 0 441.558 -0.176 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCSC23C[NH2+]C3)c2nonc21 ZINC001220749105 1073404419 /nfs/dbraw/zinc/40/44/19/1073404419.db2.gz QGDJGSUMYRRPBW-LLVKDONJSA-N 2 0 440.551 -0.140 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCSC23C[NH2+]C3)c2nonc21 ZINC001220749106 1073404314 /nfs/dbraw/zinc/40/43/14/1073404314.db2.gz QGDJGSUMYRRPBW-NSHDSACASA-N 2 0 440.551 -0.140 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[C@@H]([NH3+])CCCC[NH3+])c2nonc21 ZINC001220749129 1073404393 /nfs/dbraw/zinc/40/43/93/1073404393.db2.gz RDYBBPWFSMXPJY-LBPRGKRZSA-N 3 0 427.531 -0.389 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])C2CCOCC2)c2nonc21 ZINC001220749371 1073404378 /nfs/dbraw/zinc/40/43/78/1073404378.db2.gz SRDCVDJMOGZZME-AWEZNQCLSA-N 2 0 426.499 -0.481 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CC2([NH3+])CCOCC2)c2nonc21 ZINC001220749414 1073404339 /nfs/dbraw/zinc/40/43/39/1073404339.db2.gz VCXLUDORZRFTET-UHFFFAOYSA-N 2 0 426.499 -0.337 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])C2CCC(O)CC2)c2nonc21 ZINC001220749415 1073404408 /nfs/dbraw/zinc/40/44/08/1073404408.db2.gz VDYICOGDHIJPDX-QOZQQMKHSA-N 2 0 440.526 -0.357 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@]2(C)CC[NH2+]C[C@H]2O)c2nonc21 ZINC001220749463 1073404300 /nfs/dbraw/zinc/40/43/00/1073404300.db2.gz WERNDXXMEFXPKT-CXAGYDPISA-N 2 0 426.499 -0.875 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]2(C)CC[NH2+]C[C@H]2O)c2nonc21 ZINC001220749465 1073404257 /nfs/dbraw/zinc/40/42/57/1073404257.db2.gz WERNDXXMEFXPKT-DYVFJYSZSA-N 2 0 426.499 -0.875 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]2(C)CC[NH2+]C[C@@H]2O)c2nonc21 ZINC001220749467 1073404371 /nfs/dbraw/zinc/40/43/71/1073404371.db2.gz WERNDXXMEFXPKT-GUYCJALGSA-N 2 0 426.499 -0.875 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)c2nonc21 ZINC001220749471 1073404400 /nfs/dbraw/zinc/40/44/00/1073404400.db2.gz WERNDXXMEFXPKT-SUMWQHHRSA-N 2 0 426.499 -0.875 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])COC(C)(C)C)c2nonc21 ZINC001220749493 1073404427 /nfs/dbraw/zinc/40/44/27/1073404427.db2.gz WGRIPRZQGLPGGX-NSHDSACASA-N 2 0 428.515 -0.093 20 0 IBADRP C[NH2+][C@@H]1CCCN(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749657 1073404349 /nfs/dbraw/zinc/40/43/49/1073404349.db2.gz XKETXGSCWDLUTM-CYBMUJFWSA-N 2 0 439.542 -0.551 20 0 IBADRP C[NH2+][C@H]1CCCN(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749658 1073404308 /nfs/dbraw/zinc/40/43/08/1073404308.db2.gz XKETXGSCWDLUTM-ZDUSSCGKSA-N 2 0 439.542 -0.551 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)c2nonc21 ZINC001220749666 1073404403 /nfs/dbraw/zinc/40/44/03/1073404403.db2.gz XUFSFUGPRTWQPE-OUCADQQQSA-N 2 0 438.510 -0.468 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[C@@]2(O)CCC[NH2+]C2)c2nonc21 ZINC001220749675 1073404934 /nfs/dbraw/zinc/40/49/34/1073404934.db2.gz YAQNJXGADQSWCR-KRWDZBQOSA-N 2 0 426.499 -0.731 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[C@]2(O)CCC[NH2+]C2)c2nonc21 ZINC001220749676 1073404901 /nfs/dbraw/zinc/40/49/01/1073404901.db2.gz YAQNJXGADQSWCR-QGZVFWFLSA-N 2 0 426.499 -0.731 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c2nonc21 ZINC001220749696 1073404887 /nfs/dbraw/zinc/40/48/87/1073404887.db2.gz YVPKZAZYVWAOOF-AWEZNQCLSA-N 3 0 425.515 -0.908 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c2nonc21 ZINC001220749699 1073404785 /nfs/dbraw/zinc/40/47/85/1073404785.db2.gz YVPKZAZYVWAOOF-CQSZACIVSA-N 3 0 425.515 -0.908 20 0 IBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749725 1073404913 /nfs/dbraw/zinc/40/49/13/1073404913.db2.gz ZGPGFRXEGOAZGT-NEPJUHHUSA-N 2 0 426.499 -0.468 20 0 IBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749728 1073404872 /nfs/dbraw/zinc/40/48/72/1073404872.db2.gz ZGPGFRXEGOAZGT-NWDGAFQWSA-N 2 0 426.499 -0.468 20 0 IBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749730 1073404749 /nfs/dbraw/zinc/40/47/49/1073404749.db2.gz ZGPGFRXEGOAZGT-RYUDHWBXSA-N 2 0 426.499 -0.468 20 0 IBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001220749732 1073404855 /nfs/dbraw/zinc/40/48/55/1073404855.db2.gz ZGPGFRXEGOAZGT-VXGBXAGGSA-N 2 0 426.499 -0.468 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)c2nonc21 ZINC001220749745 1073404827 /nfs/dbraw/zinc/40/48/27/1073404827.db2.gz ZJFYQVZLPKNLBY-JKDFXYPNSA-N 2 0 438.510 -0.611 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)c2nonc21 ZINC001220749751 1073404729 /nfs/dbraw/zinc/40/47/29/1073404729.db2.gz ZJFYQVZLPKNLBY-PSTGCABASA-N 2 0 438.510 -0.611 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)c2nonc21 ZINC001220749753 1073404816 /nfs/dbraw/zinc/40/48/16/1073404816.db2.gz ZJFYQVZLPKNLBY-QFSBIZTOSA-N 2 0 438.510 -0.611 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)c2nonc21 ZINC001220749756 1073404768 /nfs/dbraw/zinc/40/47/68/1073404768.db2.gz ZJFYQVZLPKNLBY-XWCIJXRUSA-N 2 0 438.510 -0.611 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)COC2CC[NH2+]CC2)c2nonc21 ZINC001220749778 1073404806 /nfs/dbraw/zinc/40/48/06/1073404806.db2.gz ZPEVATYFKUHSLE-UHFFFAOYSA-N 2 0 426.499 -0.467 20 0 IBADRP CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220760608 1073406060 /nfs/dbraw/zinc/40/60/60/1073406060.db2.gz OKWVUZPIKGVRQB-LILDEJAOSA-N 2 0 425.530 -0.514 20 0 IBADRP CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220760609 1073405977 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ZINC001220870187 1073409008 /nfs/dbraw/zinc/40/90/08/1073409008.db2.gz IODLJIOXRXRVJP-AAEUAGOBSA-N 2 0 441.330 -0.795 20 0 IBADRP O=C(CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898166 1073410319 /nfs/dbraw/zinc/41/03/19/1073410319.db2.gz AANUEYDKFUZYEU-GOSISDBHSA-N 2 0 440.610 -0.006 20 0 IBADRP O=C(CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898167 1073410552 /nfs/dbraw/zinc/41/05/52/1073410552.db2.gz AANUEYDKFUZYEU-SFHVURJKSA-N 2 0 440.610 -0.006 20 0 IBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898498 1073410502 /nfs/dbraw/zinc/41/05/02/1073410502.db2.gz LWMOZZVPSARORM-SFHVURJKSA-N 2 0 445.568 -0.093 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900689 1073410271 /nfs/dbraw/zinc/41/02/71/1073410271.db2.gz OESDQJYNQQGEER-KRWDZBQOSA-N 2 0 425.574 -0.162 20 0 IBADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])Cc1ccc(I)cc1)N(O)N=O ZINC001220901342 1073410533 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ZINC001220937368 1073411930 /nfs/dbraw/zinc/41/19/30/1073411930.db2.gz QAOINYNAWDAYCL-HBFSDRIKSA-N 2 0 433.553 -0.692 20 0 IBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ccncn1)[C@@H]1CC[C@@H]([NH3+])CC1 ZINC001220941601 1073412581 /nfs/dbraw/zinc/41/25/81/1073412581.db2.gz VKZXDHRKNRCUJH-CAMMJAKZSA-N 2 0 442.520 -0.168 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951042 1073412558 /nfs/dbraw/zinc/41/25/58/1073412558.db2.gz OGTXISGOYJXDBU-WMZOPIPTSA-N 2 0 427.509 -0.712 20 0 IBADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966998 1073412410 /nfs/dbraw/zinc/41/24/10/1073412410.db2.gz ODNUJOPEXAGOEE-BZZMCLGOSA-N 2 0 435.525 -0.514 20 0 IBADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966999 1073412377 /nfs/dbraw/zinc/41/23/77/1073412377.db2.gz ODNUJOPEXAGOEE-DZJNRPSUSA-N 2 0 435.525 -0.514 20 0 IBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001220969201 1073413294 /nfs/dbraw/zinc/41/32/94/1073413294.db2.gz SQUIACNQJISTGA-KRWDZBQOSA-N 2 0 438.536 -0.440 20 0 IBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001220969202 1073413307 /nfs/dbraw/zinc/41/33/07/1073413307.db2.gz SQUIACNQJISTGA-QGZVFWFLSA-N 2 0 438.536 -0.440 20 0 IBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)COC1(C)C ZINC001220970424 1073413985 /nfs/dbraw/zinc/41/39/85/1073413985.db2.gz COGLRVLWDCRTBG-RDJZCZTQSA-N 2 0 431.537 -0.067 20 0 IBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971099 1073413718 /nfs/dbraw/zinc/41/37/18/1073413718.db2.gz UAQQTFOYIMUEDL-KRWDZBQOSA-N 2 0 433.553 -0.119 20 0 IBADRP COCCC1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCS(=O)(=O)CC1 ZINC001221026352 1073414580 /nfs/dbraw/zinc/41/45/80/1073414580.db2.gz UVOUWVXAVWRGMN-HOTGVXAUSA-N 2 0 432.587 -0.466 20 0 IBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056271 1073414588 /nfs/dbraw/zinc/41/45/88/1073414588.db2.gz LWDLNUZSUCGFRX-ZULIPRJHSA-N 2 0 434.537 -0.501 20 0 IBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067848 1073414679 /nfs/dbraw/zinc/41/46/79/1073414679.db2.gz NVPFRVGQLILGMJ-DWMDIXPDSA-N 2 0 438.569 -0.480 20 0 IBADRP CCC(CC)[C@@H](NC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067849 1073415403 /nfs/dbraw/zinc/41/54/03/1073415403.db2.gz NVPFRVGQLILGMJ-IWGURSETSA-N 2 0 438.569 -0.480 20 0 IBADRP CCC(CC)[C@@H](NC(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221069993 1073415376 /nfs/dbraw/zinc/41/53/76/1073415376.db2.gz AQCFHDAEHRLQAF-DJYIOQBOSA-N 2 0 426.558 -0.256 20 0 IBADRP CCC(CC)[C@@H](NC(=O)CC[NH+]1CCC(C(N)=O)CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070003 1073415216 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CCC(CC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072433 1073415348 /nfs/dbraw/zinc/41/53/48/1073415348.db2.gz CDFHYQJUMUELET-PSOXFLDCSA-N 2 0 426.558 -0.257 20 0 IBADRP CCC(CC)[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072485 1073415364 /nfs/dbraw/zinc/41/53/64/1073415364.db2.gz FJIDJTCPPKCDNH-DOQFWFFUSA-N 3 0 427.590 -0.845 20 0 IBADRP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072486 1073416080 /nfs/dbraw/zinc/41/60/80/1073416080.db2.gz FJIDJTCPPKCDNH-PKRLLGJHSA-N 3 0 427.590 -0.845 20 0 IBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072842 1073416043 /nfs/dbraw/zinc/41/60/43/1073416043.db2.gz UUXQTMUEYHQAEA-OGGOXRPUSA-N 2 0 427.542 -0.197 20 0 IBADRP CCC(CC)[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072922 1073416177 /nfs/dbraw/zinc/41/61/77/1073416177.db2.gz YQFUXNLYDCWCNY-UWAMQHJWSA-N 2 0 428.574 -0.106 20 0 IBADRP CCC(CC)[C@@H](NC(=O)c1cnc(N2CC[NH2+]CC2)cn1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221074866 1073416116 /nfs/dbraw/zinc/41/61/16/1073416116.db2.gz NLDDFNGFCWHNFR-MZCHELMPSA-N 2 0 448.568 -0.082 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086759 1073416049 /nfs/dbraw/zinc/41/60/49/1073416049.db2.gz GKBRKDLOPGCGMV-PVAVHDDUSA-N 2 0 426.539 -0.128 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[C@H]([NH3+])CN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086760 1073416126 /nfs/dbraw/zinc/41/61/26/1073416126.db2.gz GKBRKDLOPGCGMV-XIRDDKMYSA-N 2 0 426.539 -0.128 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[NH2+]CCN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086787 1073416190 /nfs/dbraw/zinc/41/61/90/1073416190.db2.gz HCQAXAASXBINAR-IRXDYDNUSA-N 2 0 426.539 -0.256 20 0 IBADRP 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427.523 -0.094 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@]1(N)CC[NH2+]C1)S(=O)(=O)c1ccc(C)cc1 ZINC001221087113 1073416643 /nfs/dbraw/zinc/41/66/43/1073416643.db2.gz SIIJQPUMTAEWQY-LPHOPBHVSA-N 2 0 426.539 -0.126 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@]1(N)CC[NH2+]C1)S(=O)(=O)c1ccc(C)cc1 ZINC001221087114 1073416635 /nfs/dbraw/zinc/41/66/35/1073416635.db2.gz SIIJQPUMTAEWQY-QFBILLFUSA-N 2 0 426.539 -0.126 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1C[NH2+]C[C@@H]1N)S(=O)(=O)c1ccc(C)cc1 ZINC001221087135 1073416793 /nfs/dbraw/zinc/41/67/93/1073416793.db2.gz SXHDUJOTOYZAPK-ULQDDVLXSA-N 2 0 426.539 -0.270 20 0 IBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)CNC(=O)C[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC001221087136 1073416804 /nfs/dbraw/zinc/41/68/04/1073416804.db2.gz SYKFWCYBQOMTSI-HNNXBMFYSA-N 2 0 428.511 -0.742 20 0 IBADRP COc1cccc(C2([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)c1 ZINC001221092147 1073416730 /nfs/dbraw/zinc/41/67/30/1073416730.db2.gz 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CTKWRPRHOVZXDI-BQFCYCMXSA-N 2 0 440.589 -0.785 20 0 IBADRP C[NH2+]C(C)(C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351245 1073426704 /nfs/dbraw/zinc/42/67/04/1073426704.db2.gz FBAFGMXHGMUEFK-JYJNAYRXSA-N 2 0 440.589 -0.785 20 0 IBADRP C[NH2+]CCCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351779 1073426692 /nfs/dbraw/zinc/42/66/92/1073426692.db2.gz LNBPDFQCFZVAGP-BQFCYCMXSA-N 2 0 440.589 -0.783 20 0 IBADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352187 1073426833 /nfs/dbraw/zinc/42/68/33/1073426833.db2.gz SEOAQZRMCALEIN-NXOAAHMSSA-N 2 0 440.589 -0.799 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352188 1073426865 /nfs/dbraw/zinc/42/68/65/1073426865.db2.gz SEOAQZRMCALEIN-QAETUUGQSA-N 2 0 440.589 -0.799 20 0 IBADRP CCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352405 1073426744 /nfs/dbraw/zinc/42/67/44/1073426744.db2.gz UHBCIUBKGZGVHL-QAETUUGQSA-N 2 0 440.589 -0.655 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C(C)(C)C[NH3+])C(N)=O ZINC001221352525 1073426697 /nfs/dbraw/zinc/42/66/97/1073426697.db2.gz VMHMQWKRFFYTQR-JYJNAYRXSA-N 2 0 440.589 -0.798 20 0 IBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(c1cc(-c2ccc(C[NH3+])cc2)nn(C)c1=O)C(C)(C)C ZINC001221358404 1073426798 /nfs/dbraw/zinc/42/67/98/1073426798.db2.gz NPRSOWUJRBWWHY-BBRMVZONSA-N 2 0 444.536 -0.138 20 0 IBADRP COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221364024 1073427699 /nfs/dbraw/zinc/42/76/99/1073427699.db2.gz SLYCBJRLSGITHF-CABCVRRESA-N 2 0 428.331 -0.205 20 0 IBADRP COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221364029 1073427719 /nfs/dbraw/zinc/42/77/19/1073427719.db2.gz SLYCBJRLSGITHF-GJZGRUSLSA-N 2 0 428.331 -0.205 20 0 IBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001221382413 1073428298 /nfs/dbraw/zinc/42/82/98/1073428298.db2.gz RTFLNZGHCJPWHT-JSGCOSHPSA-N 2 0 445.542 -0.705 20 0 IBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221382424 1073428325 /nfs/dbraw/zinc/42/83/25/1073428325.db2.gz FUABBNZIAUTMQT-HNNXBMFYSA-N 2 0 441.554 -0.199 20 0 IBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221382425 1073428234 /nfs/dbraw/zinc/42/82/34/1073428234.db2.gz FUABBNZIAUTMQT-OAHLLOKOSA-N 2 0 441.554 -0.199 20 0 IBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221383481 1073428770 /nfs/dbraw/zinc/42/87/70/1073428770.db2.gz PLBBDFCRKUMSEK-MRXNPFEDSA-N 2 0 439.538 -0.052 20 0 IBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001221390161 1073428822 /nfs/dbraw/zinc/42/88/22/1073428822.db2.gz AYJRREAXZHWPDS-HOTGVXAUSA-N 3 0 425.578 -0.551 20 0 IBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001221392432 1073428968 /nfs/dbraw/zinc/42/89/68/1073428968.db2.gz WHHBLXUJLLELBF-ULQDDVLXSA-N 2 0 439.605 -0.081 20 0 IBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCOc1ccncc1)C(=O)CF ZINC001221394131 1073428787 /nfs/dbraw/zinc/42/87/87/1073428787.db2.gz WLXWEDHLRGLHSL-YEWWUXTCSA-N 2 0 439.488 -0.522 20 0 IBADRP COCC[N@H+](C)[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC001221413084 1073429459 /nfs/dbraw/zinc/42/94/59/1073429459.db2.gz OBGXDPQCZXTDCI-RCBQFDQVSA-N 2 0 427.933 -0.217 20 0 IBADRP COCC[N@H+](C)[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC001221413085 1073429440 /nfs/dbraw/zinc/42/94/40/1073429440.db2.gz OBGXDPQCZXTDCI-VBNZEHGJSA-N 2 0 427.933 -0.217 20 0 IBADRP CNS(=O)(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001221554909 1073430265 /nfs/dbraw/zinc/43/02/65/1073430265.db2.gz NWEKRYWQCXBDOU-UHFFFAOYSA-N 2 0 425.559 -0.615 20 0 IBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC001221997880 1073433668 /nfs/dbraw/zinc/43/36/68/1073433668.db2.gz UGARBBXOFYJSTJ-KURKYZTESA-N 2 0 433.619 -0.144 20 0 IBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC001221997881 1073433697 /nfs/dbraw/zinc/43/36/97/1073433697.db2.gz UGARBBXOFYJSTJ-KZNAEPCWSA-N 2 0 433.619 -0.144 20 0 IBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356085 1073447336 /nfs/dbraw/zinc/44/73/36/1073447336.db2.gz ORGCDPCDFMBPCR-LEWJYISDSA-N 2 0 438.617 -0.511 20 0 IBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356094 1073447425 /nfs/dbraw/zinc/44/74/25/1073447425.db2.gz ORGCDPCDFMBPCR-NHCUHLMSSA-N 2 0 438.617 -0.511 20 0 IBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356102 1073448290 /nfs/dbraw/zinc/44/82/90/1073448290.db2.gz ORGCDPCDFMBPCR-RTWAWAEBSA-N 2 0 438.617 -0.511 20 0 IBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001227356110 1073448240 /nfs/dbraw/zinc/44/82/40/1073448240.db2.gz ORGCDPCDFMBPCR-SFTDATJTSA-N 2 0 438.617 -0.511 20 0 IBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC[C@@H]3C[NH2+]CCO3)CC[C@@H]12 ZINC001235491544 1073478123 /nfs/dbraw/zinc/47/81/23/1073478123.db2.gz AGICOAHVSBGRFM-GGPKGHCWSA-N 2 0 444.598 -0.660 20 0 IBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC[C@H]3C[NH2+]CCO3)CC[C@@H]12 ZINC001235491547 1073478004 /nfs/dbraw/zinc/47/80/04/1073478004.db2.gz AGICOAHVSBGRFM-NSHGMRRFSA-N 2 0 444.598 -0.660 20 0 IBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC001235492878 1073478139 /nfs/dbraw/zinc/47/81/39/1073478139.db2.gz JBOLALWMFAIZMS-GGPKGHCWSA-N 2 0 428.599 -0.039 20 0 IBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@H]3CCC[NH2+]C3)CC[C@@H]12 ZINC001235492884 1073477988 /nfs/dbraw/zinc/47/79/88/1073477988.db2.gz JBOLALWMFAIZMS-NSHGMRRFSA-N 2 0 428.599 -0.039 20 0 IBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC34CC([NH3+])(C3)C4)CC[C@@H]12 ZINC001235494538 1073478209 /nfs/dbraw/zinc/47/82/09/1073478209.db2.gz SYPBRNUSOZGYJZ-WQUXRXDGSA-N 2 0 426.583 -0.157 20 0 IBADRP 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 1073477975 /nfs/dbraw/zinc/47/79/75/1073477975.db2.gz XGAOWEGYSYAEJN-QTVCLEQKSA-N 2 0 426.583 -0.573 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C[C@@H]1O[C@H]3OC(C)(C)O[C@H]3[C@@H]1O)CC2 ZINC001235568964 1073479545 /nfs/dbraw/zinc/47/95/45/1073479545.db2.gz NEMGNXCBTOCDNB-MHORFTMASA-N 2 0 426.558 -0.606 20 0 IBADRP CN1CCN(c2cc(S(C)(=O)=O)ccc2CN2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001235872943 1073481080 /nfs/dbraw/zinc/48/10/80/1073481080.db2.gz COTZHTWROGXNKG-UHFFFAOYSA-N 2 0 438.642 -0.574 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(Cc3cnc4n3CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001236265318 1073481296 /nfs/dbraw/zinc/48/12/96/1073481296.db2.gz XZDSVWSZHBSOTR-WMZOPIPTSA-N 2 0 437.539 -0.256 20 0 IBADRP C[N@H+](CCC[NH3+])CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238615595 1073489020 /nfs/dbraw/zinc/48/90/20/1073489020.db2.gz WZAOZVWVJINLEW-UHFFFAOYSA-N 2 0 434.584 -0.344 20 0 IBADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238878540 1073489895 /nfs/dbraw/zinc/48/98/95/1073489895.db2.gz AOWNUOPFGYEQPI-UHFFFAOYSA-N 2 0 434.584 -0.296 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001239126872 1073495810 /nfs/dbraw/zinc/49/58/10/1073495810.db2.gz JJVZDRZKNMIVNQ-IRXDYDNUSA-N 2 0 449.568 -0.469 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(S(=O)(=O)C3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001239128028 1073496477 /nfs/dbraw/zinc/49/64/77/1073496477.db2.gz ZDJPMFXDWDZKTH-HOCLYGCPSA-N 2 0 435.541 -0.716 20 0 IBADRP CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130456 1073496484 /nfs/dbraw/zinc/49/64/84/1073496484.db2.gz BMESNOGMJRYYDK-UHFFFAOYSA-N 2 0 444.558 -0.359 20 0 IBADRP COC(=O)c1sc(Cl)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131260 1073496441 /nfs/dbraw/zinc/49/64/41/1073496441.db2.gz LEONEEOFTPGTJD-UHFFFAOYSA-N 2 0 426.948 -0.007 20 0 IBADRP CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131303 1073496391 /nfs/dbraw/zinc/49/63/91/1073496391.db2.gz LTTCEHHFUKWWRU-UHFFFAOYSA-N 2 0 429.543 -0.152 20 0 IBADRP CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131410 1073496488 /nfs/dbraw/zinc/49/64/88/1073496488.db2.gz OSDAEGNSKNRBGI-UHFFFAOYSA-N 2 0 430.527 -0.324 20 0 IBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)NCc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001239300611 1073497180 /nfs/dbraw/zinc/49/71/80/1073497180.db2.gz YNMITUZMWZZYJP-UHFFFAOYSA-N 2 0 433.465 -0.153 20 0 IBADRP O=c1ccc2c(n1CCN1CCOCC1)CC[C@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978083 1073499792 /nfs/dbraw/zinc/49/97/92/1073499792.db2.gz IWNYTNUUNOWLOY-PMACEKPBSA-N 2 0 434.581 -0.507 20 0 IBADRP O=c1ccc2c(n1CCN1CCOCC1)CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978084 1073499848 /nfs/dbraw/zinc/49/98/48/1073499848.db2.gz IWNYTNUUNOWLOY-UXHICEINSA-N 2 0 434.581 -0.507 20 0 IBADRP O=c1ccc2c(n1CCN1CCOCC1)CC[C@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978085 1073499816 /nfs/dbraw/zinc/49/98/16/1073499816.db2.gz IWNYTNUUNOWLOY-VQTJNVASSA-N 2 0 434.581 -0.507 20 0 IBADRP O=c1ccc2c(n1CCN1CCOCC1)CC[C@@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978086 1073499764 /nfs/dbraw/zinc/49/97/64/1073499764.db2.gz IWNYTNUUNOWLOY-WOJBJXKFSA-N 2 0 434.581 -0.507 20 0 IBADRP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978197 1073499815 /nfs/dbraw/zinc/49/98/15/1073499815.db2.gz KJURCPYMBWYLLK-MOPGFXCFSA-N 2 0 432.565 -0.217 20 0 IBADRP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@H]([NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978198 1073499866 /nfs/dbraw/zinc/49/98/66/1073499866.db2.gz KJURCPYMBWYLLK-OALUTQOASA-N 2 0 432.565 -0.217 20 0 IBADRP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978199 1073499721 /nfs/dbraw/zinc/49/97/21/1073499721.db2.gz KJURCPYMBWYLLK-RBUKOAKNSA-N 2 0 432.565 -0.217 20 0 IBADRP O=C1CCCN1CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001245978200 1073499822 /nfs/dbraw/zinc/49/98/22/1073499822.db2.gz KJURCPYMBWYLLK-RTBURBONSA-N 2 0 432.565 -0.217 20 0 IBADRP O=C1O[C@@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001245983291 1073499736 /nfs/dbraw/zinc/49/97/36/1073499736.db2.gz HTDHQPHSIMVLNM-MOPGFXCFSA-N 2 0 448.520 -0.170 20 0 IBADRP O=C1O[C@@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001245983309 1073499798 /nfs/dbraw/zinc/49/97/98/1073499798.db2.gz HTDHQPHSIMVLNM-OALUTQOASA-N 2 0 448.520 -0.170 20 0 IBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001245987157 1073499745 /nfs/dbraw/zinc/49/97/45/1073499745.db2.gz CIIUKORKKGROBG-FQEVSTJZSA-N 2 0 430.542 -0.424 20 0 IBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001245987172 1073499749 /nfs/dbraw/zinc/49/97/49/1073499749.db2.gz CIIUKORKKGROBG-HXUWFJFHSA-N 2 0 430.542 -0.424 20 0 IBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245990109 1073500285 /nfs/dbraw/zinc/50/02/85/1073500285.db2.gz OXTFZJGQQWMZIH-VQTJNVASSA-N 3 0 435.512 -0.190 20 0 IBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245994058 1073500623 /nfs/dbraw/zinc/50/06/23/1073500623.db2.gz OGDKDMMFOCYARP-FCHUYYIVSA-N 3 0 443.585 -0.451 20 0 IBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001245994139 1073500646 /nfs/dbraw/zinc/50/06/46/1073500646.db2.gz OOCKNPPAGPJCOI-IBGZPJMESA-N 2 0 434.530 -0.212 20 0 IBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001245994149 1073500583 /nfs/dbraw/zinc/50/05/83/1073500583.db2.gz OOCKNPPAGPJCOI-LJQANCHMSA-N 2 0 434.530 -0.212 20 0 IBADRP O=S(=O)(c1ccccc1)N1CCN(CC[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001245995801 1073500656 /nfs/dbraw/zinc/50/06/56/1073500656.db2.gz SGXRPLWEBINQRN-GOSISDBHSA-N 2 0 426.583 -0.552 20 0 IBADRP O=S(=O)(c1ccccc1)N1CCN(CC[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001245995805 1073500349 /nfs/dbraw/zinc/50/03/49/1073500349.db2.gz SGXRPLWEBINQRN-SFHVURJKSA-N 2 0 426.583 -0.552 20 0 IBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCOCCOCCOCCOCCOCCO ZINC001245997818 1073500428 /nfs/dbraw/zinc/50/04/28/1073500428.db2.gz ZIYFCEWVLQEZBV-FCHUYYIVSA-N 2 0 444.569 -0.418 20 0 IBADRP Cc1cn(CC(=O)NCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)c(=O)[nH]c1=O ZINC001245998193 1073500468 /nfs/dbraw/zinc/50/04/68/1073500468.db2.gz DMNVOPVWCDFUFD-JKSUJKDBSA-N 2 0 425.436 -0.828 20 0 IBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001246017667 1073500607 /nfs/dbraw/zinc/50/06/07/1073500607.db2.gz KPBSGDDDFDHYPP-FQEVSTJZSA-N 2 0 438.562 -0.954 20 0 IBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246017672 1073500224 /nfs/dbraw/zinc/50/02/24/1073500224.db2.gz KPBSGDDDFDHYPP-HXUWFJFHSA-N 2 0 438.562 -0.954 20 0 IBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@]1(O)CC[NH2+]C1)CCC2 ZINC001246029407 1073501203 /nfs/dbraw/zinc/50/12/03/1073501203.db2.gz BIUQWQZJWLNWFE-BWAGFHJFSA-N 2 0 430.553 -0.422 20 0 IBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@]1(O)CC[NH2+]C1)CCC2 ZINC001246029420 1073501411 /nfs/dbraw/zinc/50/14/11/1073501411.db2.gz BIUQWQZJWLNWFE-NYVOZVTQSA-N 2 0 430.553 -0.422 20 0 IBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@]1(O)CCC[NH2+]C1)CCC2 ZINC001246031285 1073501090 /nfs/dbraw/zinc/50/10/90/1073501090.db2.gz HUFLZZNLPKHQCD-PMOQBDJRSA-N 2 0 444.580 -0.032 20 0 IBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@]1(O)CCC[NH2+]C1)CCC2 ZINC001246031327 1073501049 /nfs/dbraw/zinc/50/10/49/1073501049.db2.gz HUFLZZNLPKHQCD-VJBMBRPKSA-N 2 0 444.580 -0.032 20 0 IBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](CC1(O)CC[NH2+]CC1)CCC2 ZINC001246035338 1073501330 /nfs/dbraw/zinc/50/13/30/1073501330.db2.gz SVVPLNVQWZBKRQ-CVDCTZTESA-N 2 0 444.580 -0.032 20 0 IBADRP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246035400 1073501428 /nfs/dbraw/zinc/50/14/28/1073501428.db2.gz GDDKGPXLYSYSOU-YDHSSHFGSA-N 2 0 446.596 -0.051 20 0 IBADRP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246035419 1073501158 /nfs/dbraw/zinc/50/11/58/1073501158.db2.gz GDDKGPXLYSYSOU-YYDVJCTNSA-N 2 0 446.596 -0.051 20 0 IBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039414 1073501264 /nfs/dbraw/zinc/50/12/64/1073501264.db2.gz IVGXTLLJFCMVCE-CTNGQTDRSA-N 2 0 431.537 -0.413 20 0 IBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039415 1073501872 /nfs/dbraw/zinc/50/18/72/1073501872.db2.gz IVGXTLLJFCMVCE-FPOVZHCZSA-N 2 0 431.537 -0.413 20 0 IBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039416 1073501964 /nfs/dbraw/zinc/50/19/64/1073501964.db2.gz IVGXTLLJFCMVCE-PZJWPPBQSA-N 2 0 431.537 -0.413 20 0 IBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246039417 1073502208 /nfs/dbraw/zinc/50/22/08/1073502208.db2.gz IVGXTLLJFCMVCE-TZIWHRDSSA-N 2 0 431.537 -0.413 20 0 IBADRP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246039772 1073502071 /nfs/dbraw/zinc/50/20/71/1073502071.db2.gz JEZVWIGNXWVNCY-GOSISDBHSA-N 2 0 448.564 -0.029 20 0 IBADRP COC(=O)c1cc2c(nc1N1CCOCC1)CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246039775 1073501950 /nfs/dbraw/zinc/50/19/50/1073501950.db2.gz JEZVWIGNXWVNCY-SFHVURJKSA-N 2 0 448.564 -0.029 20 0 IBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC3(O)CC[NH2+]CC3)CC[C@@H]12 ZINC001246039801 1073502120 /nfs/dbraw/zinc/50/21/20/1073502120.db2.gz ZHMPPPBQVQEAAB-XLIONFOSSA-N 2 0 444.598 -0.924 20 0 IBADRP O=C(NC[C@@H]1CC[C@]2(COCC[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040409 1073502103 /nfs/dbraw/zinc/50/21/03/1073502103.db2.gz NWJNYJNVCYKPFJ-FGSXEWAUSA-N 2 0 449.552 -0.678 20 0 IBADRP O=C(NC[C@H]1CC[C@]2(COCC[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040416 1073502005 /nfs/dbraw/zinc/50/20/05/1073502005.db2.gz NWJNYJNVCYKPFJ-HMFYCAOWSA-N 2 0 449.552 -0.678 20 0 IBADRP O=C(NC[C@@H]1CC[C@]2(COCC[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040417 1073502039 /nfs/dbraw/zinc/50/20/39/1073502039.db2.gz NWJNYJNVCYKPFJ-SPEDKVCISA-N 2 0 449.552 -0.678 20 0 IBADRP O=C(NC[C@H]1CC[C@]2(COCC[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)O1)c1cnccn1 ZINC001246040419 1073502181 /nfs/dbraw/zinc/50/21/81/1073502181.db2.gz NWJNYJNVCYKPFJ-SVMVAKDDSA-N 2 0 449.552 -0.678 20 0 IBADRP 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 1073502785 /nfs/dbraw/zinc/50/27/85/1073502785.db2.gz AWNJFCXYCAAKGV-IYWMVGAKSA-N 2 0 438.594 -0.269 20 0 IBADRP Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC3)cn1 ZINC001246041862 1073502992 /nfs/dbraw/zinc/50/29/92/1073502992.db2.gz CVVUGBAZLUCZQR-GOSISDBHSA-N 2 0 431.541 -0.730 20 0 IBADRP Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC3)cn1 ZINC001246041863 1073502629 /nfs/dbraw/zinc/50/26/29/1073502629.db2.gz CVVUGBAZLUCZQR-SFHVURJKSA-N 2 0 431.541 -0.730 20 0 IBADRP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042162 1073502863 /nfs/dbraw/zinc/50/28/63/1073502863.db2.gz PPIBDDCKFXCCDK-AVRDEDQJSA-N 2 0 447.580 -0.039 20 0 IBADRP Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042176 1073502727 /nfs/dbraw/zinc/50/27/27/1073502727.db2.gz PPIBDDCKFXCCDK-GCJKJVERSA-N 2 0 447.580 -0.039 20 0 IBADRP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042180 1073502972 /nfs/dbraw/zinc/50/29/72/1073502972.db2.gz PPIBDDCKFXCCDK-PGRDOPGGSA-N 2 0 447.580 -0.039 20 0 IBADRP Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246042183 1073503701 /nfs/dbraw/zinc/50/37/01/1073503701.db2.gz PPIBDDCKFXCCDK-XMSQKQJNSA-N 2 0 447.580 -0.039 20 0 IBADRP CN(C)C(=O)[C@]12C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246043618 1073503386 /nfs/dbraw/zinc/50/33/86/1073503386.db2.gz SPMPSVCEIUDBLH-JBYIUTFZSA-N 2 0 432.569 -0.299 20 0 IBADRP CN(C)C(=O)[C@]12C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246043624 1073503408 /nfs/dbraw/zinc/50/34/08/1073503408.db2.gz SPMPSVCEIUDBLH-NJNPRVFISA-N 2 0 432.569 -0.299 20 0 IBADRP O=C(C1CC[NH+](C2CCN(C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)CC1)N1CCOCC1 ZINC001246044396 1073503585 /nfs/dbraw/zinc/50/35/85/1073503585.db2.gz MQZRIDRPIUZYIV-NRFANRHFSA-N 2 0 438.613 -0.113 20 0 IBADRP O=C(C1CC[NH+](C2CCN(C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)CC1)N1CCOCC1 ZINC001246044402 1073503610 /nfs/dbraw/zinc/50/36/10/1073503610.db2.gz MQZRIDRPIUZYIV-OAQYLSRUSA-N 2 0 438.613 -0.113 20 0 IBADRP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246044697 1073503840 /nfs/dbraw/zinc/50/38/40/1073503840.db2.gz PRKAPGQSQZCDEZ-KRWDZBQOSA-N 2 0 431.541 -0.730 20 0 IBADRP Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246044699 1073503447 /nfs/dbraw/zinc/50/34/47/1073503447.db2.gz PRKAPGQSQZCDEZ-QGZVFWFLSA-N 2 0 431.541 -0.730 20 0 IBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050677 1073503863 /nfs/dbraw/zinc/50/38/63/1073503863.db2.gz FHWVDWHNSBRRLK-HKUYNNGSSA-N 2 0 425.484 -0.378 20 0 IBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050678 1073503636 /nfs/dbraw/zinc/50/36/36/1073503636.db2.gz FHWVDWHNSBRRLK-IEBWSBKVSA-N 2 0 425.484 -0.378 20 0 IBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050682 1073503513 /nfs/dbraw/zinc/50/35/13/1073503513.db2.gz FHWVDWHNSBRRLK-MJGOQNOKSA-N 2 0 425.484 -0.378 20 0 IBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050683 1073503669 /nfs/dbraw/zinc/50/36/69/1073503669.db2.gz FHWVDWHNSBRRLK-PKOBYXMFSA-N 2 0 425.484 -0.378 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246052961 1073504269 /nfs/dbraw/zinc/50/42/69/1073504269.db2.gz NAUPIEFBFOMLOZ-BZSNNMDCSA-N 2 0 445.555 -0.932 20 0 IBADRP O=C([C@@H]1C[C@H](N2CCN(C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246052974 1073504235 /nfs/dbraw/zinc/50/42/35/1073504235.db2.gz NAUPIEFBFOMLOZ-KSZLIROESA-N 2 0 445.555 -0.932 20 0 IBADRP CC1(c2cn(CCOCCOCCOCCOCCOCC[NH3+])nn2)CC[NH2+]CC1 ZINC001246056686 1073504419 /nfs/dbraw/zinc/50/44/19/1073504419.db2.gz GBSDGZPFGOQIPD-UHFFFAOYSA-N 2 0 429.562 -0.039 20 0 IBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246134325 1073505840 /nfs/dbraw/zinc/50/58/40/1073505840.db2.gz QPXRNOJNZYDNOG-AWEZNQCLSA-N 2 0 429.529 -0.133 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001246134372 1073505687 /nfs/dbraw/zinc/50/56/87/1073505687.db2.gz QPXRNOJNZYDNOG-CQSZACIVSA-N 2 0 429.529 -0.133 20 0 IBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001246138280 1073505735 /nfs/dbraw/zinc/50/57/35/1073505735.db2.gz XZRHHQVAZGCKSD-AWEZNQCLSA-N 2 0 429.529 -0.133 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001246138281 1073505798 /nfs/dbraw/zinc/50/57/98/1073505798.db2.gz XZRHHQVAZGCKSD-CQSZACIVSA-N 2 0 429.529 -0.133 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246140507 1073505675 /nfs/dbraw/zinc/50/56/75/1073505675.db2.gz ABWPLIRAWVQHDS-DRSNIGMVSA-N 2 0 448.568 -0.023 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001246140515 1073505655 /nfs/dbraw/zinc/50/56/55/1073505655.db2.gz ABWPLIRAWVQHDS-HYFFOGBASA-N 2 0 448.568 -0.023 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246140518 1073505904 /nfs/dbraw/zinc/50/59/04/1073505904.db2.gz ABWPLIRAWVQHDS-JLHGSKIFSA-N 2 0 448.568 -0.023 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246140520 1073505922 /nfs/dbraw/zinc/50/59/22/1073505922.db2.gz ABWPLIRAWVQHDS-YVHKJVDXSA-N 2 0 448.568 -0.023 20 0 IBADRP C[NH2+]CC[C@@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001246207214 1073505717 /nfs/dbraw/zinc/50/57/17/1073505717.db2.gz CDUJJCQKQGDTGH-HZSPNIEDSA-N 2 0 439.517 -0.793 20 0 IBADRP C[NH2+]CC[C@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001246207215 1073505860 /nfs/dbraw/zinc/50/58/60/1073505860.db2.gz CDUJJCQKQGDTGH-IHRRRGAJSA-N 2 0 439.517 -0.793 20 0 IBADRP C[NH2+]CC[C@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001246207216 1073505877 /nfs/dbraw/zinc/50/58/77/1073505877.db2.gz CDUJJCQKQGDTGH-MELADBBJSA-N 2 0 439.517 -0.793 20 0 IBADRP C[NH2+]CC[C@@H](C)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001246207217 1073505611 /nfs/dbraw/zinc/50/56/11/1073505611.db2.gz CDUJJCQKQGDTGH-RDBSUJKOSA-N 2 0 439.517 -0.793 20 0 IBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001246212129 1073505890 /nfs/dbraw/zinc/50/58/90/1073505890.db2.gz CMZZKIHNIZIMCB-KRWDZBQOSA-N 2 0 442.575 -0.642 20 0 IBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001246212132 1073506460 /nfs/dbraw/zinc/50/64/60/1073506460.db2.gz CMZZKIHNIZIMCB-QGZVFWFLSA-N 2 0 442.575 -0.642 20 0 IBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C[C@H]1C(=O)OC ZINC001246217329 1073506220 /nfs/dbraw/zinc/50/62/20/1073506220.db2.gz SECHPBDWUWTJEQ-KZNAEPCWSA-N 2 0 434.530 -0.268 20 0 IBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C[C@H]1C(=O)OC ZINC001246217330 1073506346 /nfs/dbraw/zinc/50/63/46/1073506346.db2.gz SECHPBDWUWTJEQ-RCCFBDPRSA-N 2 0 434.530 -0.268 20 0 IBADRP 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-0.028 20 0 IBADRP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC001246448075 1073511108 /nfs/dbraw/zinc/51/11/08/1073511108.db2.gz LDWCSFUKMDJJKZ-BIVLZKPYSA-N 2 0 427.615 -0.172 20 0 IBADRP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC001246448077 1073511062 /nfs/dbraw/zinc/51/10/62/1073511062.db2.gz LDWCSFUKMDJJKZ-QEOTZNIISA-N 2 0 427.615 -0.172 20 0 IBADRP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1CSC2(C[NH2+]C2)C1)C(N)=O ZINC001246449669 1073511028 /nfs/dbraw/zinc/51/10/28/1073511028.db2.gz PPWLGKPZERZDEC-ILXRZTDVSA-N 2 0 445.655 -0.322 20 0 IBADRP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1CSC2(C[NH2+]C2)C1)C(N)=O ZINC001246449687 1073510896 /nfs/dbraw/zinc/51/08/96/1073510896.db2.gz PPWLGKPZERZDEC-KKUMJFAQSA-N 2 0 445.655 -0.322 20 0 IBADRP COC(=O)C1C[C@@H]2CC(n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)C[C@H](C1)[NH2+]2 ZINC001246482278 1073511732 /nfs/dbraw/zinc/51/17/32/1073511732.db2.gz MWPNRINLWMVPIK-YMFAHRSGSA-N 2 0 432.525 -0.526 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246484233 1073511683 /nfs/dbraw/zinc/51/16/83/1073511683.db2.gz FKOYRJXHHOODFC-BCYZHJNNSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246484242 1073511670 /nfs/dbraw/zinc/51/16/70/1073511670.db2.gz FKOYRJXHHOODFC-GFEQUFNTSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246484244 1073511624 /nfs/dbraw/zinc/51/16/24/1073511624.db2.gz FKOYRJXHHOODFC-PJVZLEMVSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246484245 1073511535 /nfs/dbraw/zinc/51/15/35/1073511535.db2.gz FKOYRJXHHOODFC-VMXHOPILSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CCC[NH2+]CC1)C(N)=O ZINC001246484456 1073511590 /nfs/dbraw/zinc/51/15/90/1073511590.db2.gz HAYLTNKLAFHGQA-VJANTYMQSA-N 2 0 438.617 -0.167 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CCC[NH2+]CC1)C(N)=O ZINC001246484458 1073511662 /nfs/dbraw/zinc/51/16/62/1073511662.db2.gz HAYLTNKLAFHGQA-XWSJACJDSA-N 2 0 438.617 -0.167 20 0 IBADRP C[NH2+]CC[C@@H](C)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484741 1073511654 /nfs/dbraw/zinc/51/16/54/1073511654.db2.gz IVBUFGWIXXTHMP-OWSLCNJRSA-N 2 0 426.606 -0.311 20 0 IBADRP C[NH2+]CC[C@H](C)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484742 1073511602 /nfs/dbraw/zinc/51/16/02/1073511602.db2.gz IVBUFGWIXXTHMP-XSLAGTTESA-N 2 0 426.606 -0.311 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CCCC[NH2+]C1)C(N)=O ZINC001246484932 1073511644 /nfs/dbraw/zinc/51/16/44/1073511644.db2.gz JQJTWNRTSPCFON-VJANTYMQSA-N 2 0 438.617 -0.167 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CCCC[NH2+]C1)C(N)=O ZINC001246484934 1073511612 /nfs/dbraw/zinc/51/16/12/1073511612.db2.gz JQJTWNRTSPCFON-XWSJACJDSA-N 2 0 438.617 -0.167 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC1C[C@@H]2C=C[C@H](C1)[NH2+]2)C(N)=O ZINC001246487928 1073512306 /nfs/dbraw/zinc/51/23/06/1073512306.db2.gz SSGQTCCFIJNCNK-GUZBNGIKSA-N 2 0 448.612 -0.250 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1)C(N)=O ZINC001246489089 1073512455 /nfs/dbraw/zinc/51/24/55/1073512455.db2.gz WMSABWXYTCUJMP-BCYZHJNNSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1)C(N)=O ZINC001246489093 1073512010 /nfs/dbraw/zinc/51/20/10/1073512010.db2.gz WMSABWXYTCUJMP-GFEQUFNTSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[C@H](C)[NH2+]C1)C(N)=O ZINC001246489094 1073512125 /nfs/dbraw/zinc/51/21/25/1073512125.db2.gz WMSABWXYTCUJMP-PJVZLEMVSA-N 2 0 438.617 -0.169 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CC[C@H](C)[NH2+]C1)C(N)=O ZINC001246489097 1073512262 /nfs/dbraw/zinc/51/22/62/1073512262.db2.gz WMSABWXYTCUJMP-VMXHOPILSA-N 2 0 438.617 -0.169 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCS(=O)(=O)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246511885 1073512520 /nfs/dbraw/zinc/51/25/20/1073512520.db2.gz DGSRCZNLJIZZEB-GJZGRUSLSA-N 2 0 432.591 -0.938 20 0 IBADRP CCOC(=O)N1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)C1 ZINC001246512129 1073512433 /nfs/dbraw/zinc/51/24/33/1073512433.db2.gz FFGYWMYBALCPMD-JYJNAYRXSA-N 2 0 441.577 -0.284 20 0 IBADRP CCOC(=O)N1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)C1 ZINC001246512135 1073512026 /nfs/dbraw/zinc/51/20/26/1073512026.db2.gz FFGYWMYBALCPMD-PMPSAXMXSA-N 2 0 441.577 -0.284 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(C(C)=O)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246516774 1073512489 /nfs/dbraw/zinc/51/24/89/1073512489.db2.gz ZVNHTSGEVXYSJA-IRXDYDNUSA-N 2 0 425.578 -0.504 20 0 IBADRP COC(=O)[C@H](CCCC[NH2+]C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)NC(=O)CNC(C)=O ZINC001246518420 1073512059 /nfs/dbraw/zinc/51/20/59/1073512059.db2.gz HSZYTNVBPPFCER-YOHUBWIESA-N 2 0 440.541 -0.388 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCCN(C(C)=O)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246519210 1073512885 /nfs/dbraw/zinc/51/28/85/1073512885.db2.gz JIMXNZGQBHFUBK-IKGGRYGDSA-N 2 0 425.578 -0.504 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCCN(C(C)=O)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246519211 1073512960 /nfs/dbraw/zinc/51/29/60/1073512960.db2.gz JIMXNZGQBHFUBK-ULQDDVLXSA-N 2 0 425.578 -0.504 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246519450 1073512813 /nfs/dbraw/zinc/51/28/13/1073512813.db2.gz KIWUNAGOAFDALD-UGUYLWEFSA-N 2 0 426.562 -0.174 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246519451 1073513057 /nfs/dbraw/zinc/51/30/57/1073513057.db2.gz KIWUNAGOAFDALD-WCVJEAGWSA-N 2 0 426.562 -0.174 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@@H]2C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246522350 1073512789 /nfs/dbraw/zinc/51/27/89/1073512789.db2.gz NGGONALNPBVGPC-NCOADZHNSA-N 2 0 437.589 -0.362 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@H]2C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246522358 1073513069 /nfs/dbraw/zinc/51/30/69/1073513069.db2.gz NGGONALNPBVGPC-QAETUUGQSA-N 2 0 437.589 -0.362 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@H]2C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246522363 1073513025 /nfs/dbraw/zinc/51/30/25/1073513025.db2.gz NGGONALNPBVGPC-QZWWFDLISA-N 2 0 437.589 -0.362 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@@H]2C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246522368 1073513010 /nfs/dbraw/zinc/51/30/10/1073513010.db2.gz NGGONALNPBVGPC-YVSFHVDLSA-N 2 0 437.589 -0.362 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC3(C[NH2+]C3)C2)cn1 ZINC001246523966 1073512842 /nfs/dbraw/zinc/51/28/42/1073512842.db2.gz NXQWJOAMKCLUJE-NEWSRXKRSA-N 2 0 426.521 -0.014 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC3(C[NH2+]C3)C2)cn1 ZINC001246523967 1073512757 /nfs/dbraw/zinc/51/27/57/1073512757.db2.gz NXQWJOAMKCLUJE-WDSOQIARSA-N 2 0 426.521 -0.014 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(C(=O)OC)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246524174 1073512975 /nfs/dbraw/zinc/51/29/75/1073512975.db2.gz PDZSAZKHGKKUEF-HOTGVXAUSA-N 2 0 441.577 -0.284 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1C[C@@H]2COC[C@H](C1)N2C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246524252 1073512918 /nfs/dbraw/zinc/51/29/18/1073512918.db2.gz PWLRNKFWEZDVMO-KKGYMGPXSA-N 2 0 439.605 -0.654 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC001246524982 1073513039 /nfs/dbraw/zinc/51/30/39/1073513039.db2.gz QRFZNEPHWFXTSC-KXOXPVICSA-N 2 0 426.521 -0.158 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC001246524985 1073513091 /nfs/dbraw/zinc/51/30/91/1073513091.db2.gz QRFZNEPHWFXTSC-SSGANFLRSA-N 2 0 426.521 -0.158 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCN(C2CC2)C(=O)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246526045 1073513467 /nfs/dbraw/zinc/51/34/67/1073513467.db2.gz UNELGLPLVWSGHA-PVAVHDDUSA-N 2 0 437.589 -0.362 20 0 IBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCN(C2CC2)C(=O)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246526046 1073513652 /nfs/dbraw/zinc/51/36/52/1073513652.db2.gz UNELGLPLVWSGHA-XIRDDKMYSA-N 2 0 437.589 -0.362 20 0 IBADRP CCN1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CC1=O ZINC001246526978 1073513876 /nfs/dbraw/zinc/51/38/76/1073513876.db2.gz XDHINLJIEDPQOA-JYJNAYRXSA-N 2 0 425.578 -0.504 20 0 IBADRP CCN1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CC1=O ZINC001246526980 1073513612 /nfs/dbraw/zinc/51/36/12/1073513612.db2.gz XDHINLJIEDPQOA-PMPSAXMXSA-N 2 0 425.578 -0.504 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CSC3(C[NH2+]C3)C2)cn1 ZINC001246527263 1073513420 /nfs/dbraw/zinc/51/34/20/1073513420.db2.gz WSOGLFIWBCEMHR-NJAFHUGGSA-N 2 0 444.561 -0.309 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CSC3(C[NH2+]C3)C2)cn1 ZINC001246527284 1073513781 /nfs/dbraw/zinc/51/37/81/1073513781.db2.gz WSOGLFIWBCEMHR-SZMVWBNQSA-N 2 0 444.561 -0.309 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCOC3(C[NH2+]C3)C2)cn1 ZINC001246527395 1073513858 /nfs/dbraw/zinc/51/38/58/1073513858.db2.gz XUHQRWCGFNCNRS-NEWSRXKRSA-N 2 0 442.520 -0.635 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCOC3(C[NH2+]C3)C2)cn1 ZINC001246527421 1073513567 /nfs/dbraw/zinc/51/35/67/1073513567.db2.gz XUHQRWCGFNCNRS-WDSOQIARSA-N 2 0 442.520 -0.635 20 0 IBADRP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@@H]3COC[C@H](C2)[NH2+]3)cn1 ZINC001246527456 1073513803 /nfs/dbraw/zinc/51/38/03/1073513803.db2.gz YKJUYIIDOVTMMP-VQIQGZIGSA-N 2 0 442.520 -0.637 20 0 IBADRP O=C([C@@H]1C[C@@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1)N1CCSC1 ZINC001246588809 1073513599 /nfs/dbraw/zinc/51/35/99/1073513599.db2.gz ATVQGTKVLQWETE-PBHICJAKSA-N 2 0 425.580 -0.362 20 0 IBADRP O=C([C@@H]1C[C@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1)N1CCSC1 ZINC001246588810 1073513850 /nfs/dbraw/zinc/51/38/50/1073513850.db2.gz ATVQGTKVLQWETE-YOEHRIQHSA-N 2 0 425.580 -0.362 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246628773 1073513667 /nfs/dbraw/zinc/51/36/67/1073513667.db2.gz OTJWQXZYDCXNHL-IVZQSRNASA-N 2 0 443.552 -0.596 20 0 IBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246628784 1073514115 /nfs/dbraw/zinc/51/41/15/1073514115.db2.gz OTJWQXZYDCXNHL-NYHFZMIOSA-N 2 0 443.552 -0.596 20 0 IBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246628800 1073514369 /nfs/dbraw/zinc/51/43/69/1073514369.db2.gz OTJWQXZYDCXNHL-OYHNWAKOSA-N 2 0 443.552 -0.596 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246628802 1073514330 /nfs/dbraw/zinc/51/43/30/1073514330.db2.gz OTJWQXZYDCXNHL-QRQCRPRQSA-N 2 0 443.552 -0.596 20 0 IBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246630587 1073514296 /nfs/dbraw/zinc/51/42/96/1073514296.db2.gz TWFABOPIEJQHDU-HNNXBMFYSA-N 2 0 431.541 -0.454 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246630588 1073514557 /nfs/dbraw/zinc/51/45/57/1073514557.db2.gz TWFABOPIEJQHDU-OAHLLOKOSA-N 2 0 431.541 -0.454 20 0 IBADRP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@@H]3CSC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246692209 1073515171 /nfs/dbraw/zinc/51/51/71/1073515171.db2.gz GCOZXAUADYKOQM-HRCADAONSA-N 2 0 437.591 -0.143 20 0 IBADRP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@H]3CSC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246692218 1073515008 /nfs/dbraw/zinc/51/50/08/1073515008.db2.gz GCOZXAUADYKOQM-OWCLPIDISA-N 2 0 437.591 -0.143 20 0 IBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692950 1073515329 /nfs/dbraw/zinc/51/53/29/1073515329.db2.gz XATUAFYPCGIWBC-HTAPYJJXSA-N 2 0 427.553 -0.050 20 0 IBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692971 1073515209 /nfs/dbraw/zinc/51/52/09/1073515209.db2.gz XATUAFYPCGIWBC-JTSKRJEESA-N 2 0 427.553 -0.050 20 0 IBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692976 1073515064 /nfs/dbraw/zinc/51/50/64/1073515064.db2.gz XATUAFYPCGIWBC-VGOFRKELSA-N 2 0 427.553 -0.050 20 0 IBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246692980 1073515402 /nfs/dbraw/zinc/51/54/02/1073515402.db2.gz XATUAFYPCGIWBC-VGSWGCGISA-N 2 0 427.553 -0.050 20 0 IBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246694212 1073515391 /nfs/dbraw/zinc/51/53/91/1073515391.db2.gz MJEUPGBEENKJRR-KBPBESRZSA-N 2 0 428.584 -0.599 20 0 IBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246694214 1073515157 /nfs/dbraw/zinc/51/51/57/1073515157.db2.gz MJEUPGBEENKJRR-KGLIPLIRSA-N 2 0 428.584 -0.599 20 0 IBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)S(C)(=O)=O)cn1 ZINC001246694682 1073515091 /nfs/dbraw/zinc/51/50/91/1073515091.db2.gz MSSQDASALBQUPT-LTIDMASMSA-N 2 0 442.611 -0.782 20 0 IBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)S(C)(=O)=O)cn1 ZINC001246694693 1073515804 /nfs/dbraw/zinc/51/58/04/1073515804.db2.gz MSSQDASALBQUPT-LUKYLMHMSA-N 2 0 442.611 -0.782 20 0 IBADRP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246705839 1073516007 /nfs/dbraw/zinc/51/60/07/1073516007.db2.gz KKWVNQLXTCWJOT-IXDOHACOSA-N 2 0 434.566 -0.897 20 0 IBADRP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246705845 1073515949 /nfs/dbraw/zinc/51/59/49/1073515949.db2.gz KKWVNQLXTCWJOT-YESZJQIVSA-N 2 0 434.566 -0.897 20 0 IBADRP 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 1073516835 /nfs/dbraw/zinc/51/68/35/1073516835.db2.gz VGMSGYBLGVQKQO-CWVBCOCOSA-N 2 0 440.610 -0.041 20 0 IBADRP 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 1073516614 /nfs/dbraw/zinc/51/66/14/1073516614.db2.gz VGMSGYBLGVQKQO-HZVKZAKPSA-N 2 0 440.610 -0.041 20 0 IBADRP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@@H]3CCOC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246711045 1073516953 /nfs/dbraw/zinc/51/69/53/1073516953.db2.gz YMOUEEYJNZBQFD-IXDOHACOSA-N 2 0 435.550 -0.470 20 0 IBADRP O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@@H+]([C@H]3CCOC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246711046 1073516638 /nfs/dbraw/zinc/51/66/38/1073516638.db2.gz YMOUEEYJNZBQFD-YESZJQIVSA-N 2 0 435.550 -0.470 20 0 IBADRP 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 1073517656 /nfs/dbraw/zinc/51/76/56/1073517656.db2.gz WLSJXAKFCHMXJS-VSZNYVQBSA-N 2 0 425.599 -0.639 20 0 IBADRP 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 1073517508 /nfs/dbraw/zinc/51/75/08/1073517508.db2.gz WLSJXAKFCHMXJS-ZJPYXAASSA-N 2 0 425.599 -0.639 20 0 IBADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@@H]21)N1CCOCC1 ZINC001246726629 1073518599 /nfs/dbraw/zinc/51/85/99/1073518599.db2.gz SKZRFYJNLZTVOC-KJBWJIBOSA-N 2 0 441.594 -0.119 20 0 IBADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)C[C@@H]21)N1CCOCC1 ZINC001246726632 1073517951 /nfs/dbraw/zinc/51/79/51/1073517951.db2.gz SKZRFYJNLZTVOC-LWLVAEKPSA-N 2 0 441.594 -0.119 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246728013 1073518426 /nfs/dbraw/zinc/51/84/26/1073518426.db2.gz JIDQFDILOZEOIR-MSOLQXFVSA-N 2 0 438.642 -0.580 20 0 IBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246728014 1073518349 /nfs/dbraw/zinc/51/83/49/1073518349.db2.gz JIDQFDILOZEOIR-ROUUACIJSA-N 2 0 438.642 -0.580 20 0 IBADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246742420 1073519840 /nfs/dbraw/zinc/51/98/40/1073519840.db2.gz YQDLNNRZCHQVNT-HIFRSBDPSA-N 2 0 428.584 -0.946 20 0 IBADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246742421 1073520586 /nfs/dbraw/zinc/52/05/86/1073520586.db2.gz YQDLNNRZCHQVNT-ZFWWWQNUSA-N 2 0 428.584 -0.946 20 0 IBADRP COC(=O)C1C[C@@H]2CC(N(Cc3cnc4n3CC[NH2+]CC4)S(C)(=O)=O)C[C@H](C1)[NH2+]2 ZINC001246742953 1073520575 /nfs/dbraw/zinc/52/05/75/1073520575.db2.gz ZQPPKJXROCSNSV-IRHLINNNSA-N 2 0 425.555 -0.137 20 0 IBADRP CCS(=O)(=O)N([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246743070 1073520326 /nfs/dbraw/zinc/52/03/26/1073520326.db2.gz ZSPWYCLOVSNGRJ-NNXHMXCWSA-N 2 0 432.612 -0.332 20 0 IBADRP CCS(=O)(=O)N([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001246743074 1073520472 /nfs/dbraw/zinc/52/04/72/1073520472.db2.gz ZSPWYCLOVSNGRJ-VIQHNZTISA-N 2 0 432.612 -0.332 20 0 IBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@H]2CCOC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246747030 1073520433 /nfs/dbraw/zinc/52/04/33/1073520433.db2.gz BDNKVXZDNPWPBN-JXFKEZNVSA-N 2 0 426.583 -0.287 20 0 IBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@H]2CCOC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246747031 1073520382 /nfs/dbraw/zinc/52/03/82/1073520382.db2.gz BDNKVXZDNPWPBN-OXJNMPFZSA-N 2 0 426.583 -0.287 20 0 IBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@@H]2CCOC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246747032 1073520484 /nfs/dbraw/zinc/52/04/84/1073520484.db2.gz BDNKVXZDNPWPBN-OXQOHEQNSA-N 2 0 426.583 -0.287 20 0 IBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@@H]2CCOC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246747033 1073520645 /nfs/dbraw/zinc/52/06/45/1073520645.db2.gz BDNKVXZDNPWPBN-UZLBHIALSA-N 2 0 426.583 -0.287 20 0 IBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246749546 1073520938 /nfs/dbraw/zinc/52/09/38/1073520938.db2.gz DLHUWORZVAQDBG-JXFKEZNVSA-N 2 0 425.599 -0.714 20 0 IBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246749547 1073521035 /nfs/dbraw/zinc/52/10/35/1073521035.db2.gz DLHUWORZVAQDBG-OXJNMPFZSA-N 2 0 425.599 -0.714 20 0 IBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246749548 1073521183 /nfs/dbraw/zinc/52/11/83/1073521183.db2.gz DLHUWORZVAQDBG-OXQOHEQNSA-N 2 0 425.599 -0.714 20 0 IBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)C1=O ZINC001246749549 1073520898 /nfs/dbraw/zinc/52/08/98/1073520898.db2.gz DLHUWORZVAQDBG-UZLBHIALSA-N 2 0 425.599 -0.714 20 0 IBADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246757289 1073521951 /nfs/dbraw/zinc/52/19/51/1073521951.db2.gz YMJLHAZBMURRBP-MSOLQXFVSA-N 2 0 439.626 -0.248 20 0 IBADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)C1 ZINC001246757292 1073521839 /nfs/dbraw/zinc/52/18/39/1073521839.db2.gz YMJLHAZBMURRBP-ROUUACIJSA-N 2 0 439.626 -0.248 20 0 IBADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758462 1073521970 /nfs/dbraw/zinc/52/19/70/1073521970.db2.gz XXRDUUPHYHHXKB-FHWLQOOXSA-N 2 0 433.626 -0.174 20 0 IBADRP CN1CC[NH+](C[C@H]2Cn3ccnc3CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758463 1073521826 /nfs/dbraw/zinc/52/18/26/1073521826.db2.gz XXRDUUPHYHHXKB-OTWHNJEPSA-N 2 0 433.626 -0.174 20 0 IBADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758464 1073521867 /nfs/dbraw/zinc/52/18/67/1073521867.db2.gz XXRDUUPHYHHXKB-QRVBRYPASA-N 2 0 433.626 -0.174 20 0 IBADRP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)CC1 ZINC001246758466 1073521660 /nfs/dbraw/zinc/52/16/60/1073521660.db2.gz XXRDUUPHYHHXKB-QYZOEREBSA-N 2 0 433.626 -0.174 20 0 IBADRP O=C([C@@H]1C[C@@H](n2nncc2CN2CCOC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246759415 1073521646 /nfs/dbraw/zinc/52/16/46/1073521646.db2.gz KZLCJZCTZZOWCL-IMFGXOCKSA-N 2 0 435.598 -0.084 20 0 IBADRP O=C([C@@H]1C[C@@H](n2nncc2CN2CCOC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246759416 1073522631 /nfs/dbraw/zinc/52/26/31/1073522631.db2.gz KZLCJZCTZZOWCL-KPFFTGBYSA-N 2 0 435.598 -0.084 20 0 IBADRP O=C([C@@H]1C[C@H](n2nncc2CN2CCOC[C@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246759417 1073522437 /nfs/dbraw/zinc/52/24/37/1073522437.db2.gz KZLCJZCTZZOWCL-QRFRQXIXSA-N 2 0 435.598 -0.084 20 0 IBADRP O=C([C@@H]1C[C@H](n2nncc2CN2CCOC[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246759418 1073522292 /nfs/dbraw/zinc/52/22/92/1073522292.db2.gz KZLCJZCTZZOWCL-XKGZKEIXSA-N 2 0 435.598 -0.084 20 0 IBADRP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CCC2 ZINC001246769473 1073523729 /nfs/dbraw/zinc/52/37/29/1073523729.db2.gz INOWOILBJHXBOX-HNNXBMFYSA-N 2 0 429.550 -0.040 20 0 IBADRP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CSC3(C[NH2+]C3)C1)CCC2 ZINC001246769480 1073523631 /nfs/dbraw/zinc/52/36/31/1073523631.db2.gz INOWOILBJHXBOX-OAHLLOKOSA-N 2 0 429.550 -0.040 20 0 IBADRP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246771496 1073524614 /nfs/dbraw/zinc/52/46/14/1073524614.db2.gz NJBLGHILCAQDCG-INIZCTEOSA-N 2 0 426.525 -0.794 20 0 IBADRP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246771508 1073524284 /nfs/dbraw/zinc/52/42/84/1073524284.db2.gz NJBLGHILCAQDCG-MRXNPFEDSA-N 2 0 426.525 -0.794 20 0 IBADRP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCOC3(C[NH2+]C3)C1)CCC2 ZINC001246773288 1073524311 /nfs/dbraw/zinc/52/43/11/1073524311.db2.gz VAOBVRJGRBRLSU-INIZCTEOSA-N 2 0 427.509 -0.367 20 0 IBADRP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)CCC2 ZINC001246773289 1073524499 /nfs/dbraw/zinc/52/44/99/1073524499.db2.gz VAOBVRJGRBRLSU-MRXNPFEDSA-N 2 0 427.509 -0.367 20 0 IBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246820254 1073525047 /nfs/dbraw/zinc/52/50/47/1073525047.db2.gz JQNZEBCAONAFAV-KRWDZBQOSA-N 2 0 434.589 -0.923 20 0 IBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246820269 1073525084 /nfs/dbraw/zinc/52/50/84/1073525084.db2.gz JQNZEBCAONAFAV-QGZVFWFLSA-N 2 0 434.589 -0.923 20 0 IBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2)C(=O)NCC(N)=O ZINC001246830930 1073524954 /nfs/dbraw/zinc/52/49/54/1073524954.db2.gz JDPXWYGYRQWENT-RKQJOMJXSA-N 2 0 437.585 -0.116 20 0 IBADRP C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246917083 1073525696 /nfs/dbraw/zinc/52/56/96/1073525696.db2.gz LDSLRFVPVODZLZ-BZSNNMDCSA-N 2 0 443.539 -0.161 20 0 IBADRP C[C@H](CC(=O)N1CCOCC1)[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246917087 1073525522 /nfs/dbraw/zinc/52/55/22/1073525522.db2.gz LDSLRFVPVODZLZ-SQNIBIBYSA-N 2 0 443.539 -0.161 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c2nonc21 ZINC001246920686 1073526460 /nfs/dbraw/zinc/52/64/60/1073526460.db2.gz FABCIGDKJHSHEH-AWEZNQCLSA-N 2 0 435.554 -0.311 20 0 IBADRP CN(C)S(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c2nonc21 ZINC001246920693 1073526653 /nfs/dbraw/zinc/52/66/53/1073526653.db2.gz FABCIGDKJHSHEH-CQSZACIVSA-N 2 0 435.554 -0.311 20 0 IBADRP COC(=O)[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923641 1073526667 /nfs/dbraw/zinc/52/66/67/1073526667.db2.gz DJWCWJIFKUZMNY-MOPGFXCFSA-N 2 0 433.553 -0.051 20 0 IBADRP COC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923643 1073526414 /nfs/dbraw/zinc/52/64/14/1073526414.db2.gz DJWCWJIFKUZMNY-OALUTQOASA-N 2 0 433.553 -0.051 20 0 IBADRP COC(=O)[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923644 1073526578 /nfs/dbraw/zinc/52/65/78/1073526578.db2.gz DJWCWJIFKUZMNY-RBUKOAKNSA-N 2 0 433.553 -0.051 20 0 IBADRP COC(=O)[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923645 1073526533 /nfs/dbraw/zinc/52/65/33/1073526533.db2.gz DJWCWJIFKUZMNY-RTBURBONSA-N 2 0 433.553 -0.051 20 0 IBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248546795 1073533204 /nfs/dbraw/zinc/53/32/04/1073533204.db2.gz HVAGROWFPJEWDJ-WEVVVXLNSA-N 2 0 442.480 -0.995 20 0 IBADRP C[NH+]1CCC(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)(N2CCOCC2)CC1 ZINC001251865588 1073553431 /nfs/dbraw/zinc/55/34/31/1073553431.db2.gz LMUZBCXXIAYRKV-UHFFFAOYSA-N 2 0 436.601 -0.267 20 0 IBADRP Cc1cn(CC(=O)NCC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC001254051364 1073575540 /nfs/dbraw/zinc/57/55/40/1073575540.db2.gz KHUMDQFHRGVTEM-UHFFFAOYSA-N 2 0 429.521 -0.010 20 0 IBADRP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254055323 1073575377 /nfs/dbraw/zinc/57/53/77/1073575377.db2.gz NRUBDLODLFVHMQ-SFHVURJKSA-N 2 0 431.537 -0.804 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCOC1)C(N)=O ZINC001254375799 1073586275 /nfs/dbraw/zinc/58/62/75/1073586275.db2.gz SPSXQCQISKKWQG-OWSLCNJRSA-N 2 0 425.574 -0.130 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCCOC1)C(N)=O ZINC001254375800 1073586306 /nfs/dbraw/zinc/58/63/06/1073586306.db2.gz SPSXQCQISKKWQG-XSLAGTTESA-N 2 0 425.574 -0.130 20 0 IBADRP CC(=O)N1CCC([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001254419075 1073586336 /nfs/dbraw/zinc/58/63/36/1073586336.db2.gz IHQWPUQGCDXCIZ-UHFFFAOYSA-N 2 0 449.589 -0.355 20 0 IBADRP CC(=O)N1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254422860 1073586891 /nfs/dbraw/zinc/58/68/91/1073586891.db2.gz XWJCRTZCKNOITD-OALUTQOASA-N 2 0 445.568 -0.568 20 0 IBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(CC3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254440629 1073587043 /nfs/dbraw/zinc/58/70/43/1073587043.db2.gz XFGDBENDIGGMJW-ROUUACIJSA-N 2 0 447.584 -0.137 20 0 IBADRP C[N@@H+]1CCC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515113 1073587439 /nfs/dbraw/zinc/58/74/39/1073587439.db2.gz SYWDCAPUYZKYJR-FHWLQOOXSA-N 3 0 431.585 -0.095 20 0 IBADRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254515114 1073587833 /nfs/dbraw/zinc/58/78/33/1073587833.db2.gz SYWDCAPUYZKYJR-QYZOEREBSA-N 3 0 431.585 -0.095 20 0 IBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001254641151 1073588551 /nfs/dbraw/zinc/58/85/51/1073588551.db2.gz FMLPQVQBOGCLDT-IRFCIJBXSA-N 2 0 425.574 -0.692 20 0 IBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001254641152 1073588144 /nfs/dbraw/zinc/58/81/44/1073588144.db2.gz FMLPQVQBOGCLDT-SVFBPWRDSA-N 2 0 425.574 -0.692 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001254642516 1073589402 /nfs/dbraw/zinc/58/94/02/1073589402.db2.gz RRWLPIUFSYEYIH-FQEVSTJZSA-N 2 0 436.601 -0.267 20 0 IBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001254642517 1073588941 /nfs/dbraw/zinc/58/89/41/1073588941.db2.gz RRWLPIUFSYEYIH-HXUWFJFHSA-N 2 0 436.601 -0.267 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642801 1073589323 /nfs/dbraw/zinc/58/93/23/1073589323.db2.gz SOPDVBHLZXMHKY-PMACEKPBSA-N 2 0 436.601 -0.269 20 0 IBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642803 1073589263 /nfs/dbraw/zinc/58/92/63/1073589263.db2.gz SOPDVBHLZXMHKY-UXHICEINSA-N 2 0 436.601 -0.269 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642804 1073589119 /nfs/dbraw/zinc/58/91/19/1073589119.db2.gz SOPDVBHLZXMHKY-VQTJNVASSA-N 2 0 436.601 -0.269 20 0 IBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC1 ZINC001254642805 1073588992 /nfs/dbraw/zinc/58/89/92/1073588992.db2.gz SOPDVBHLZXMHKY-WOJBJXKFSA-N 2 0 436.601 -0.269 20 0 IBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853146 1073591800 /nfs/dbraw/zinc/59/18/00/1073591800.db2.gz WHWRITWCEWICSK-AABGKKOBSA-N 3 0 443.596 -0.095 20 0 IBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254853148 1073591661 /nfs/dbraw/zinc/59/16/61/1073591661.db2.gz WHWRITWCEWICSK-UFYCRDLUSA-N 3 0 443.596 -0.095 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1CCOCC1)C(N)=O ZINC001255038256 1073592950 /nfs/dbraw/zinc/59/29/50/1073592950.db2.gz IYGAGWKMTJVAOK-BZSNNMDCSA-N 2 0 425.574 -0.130 20 0 IBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCSCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255088164 1073592932 /nfs/dbraw/zinc/59/29/32/1073592932.db2.gz OOHZUDJVTJSSKE-HOTGVXAUSA-N 2 0 439.586 -0.964 20 0 IBADRP 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 1073593579 /nfs/dbraw/zinc/59/35/79/1073593579.db2.gz MQOSNQGORYAVJA-CFGWQNJFSA-N 2 0 441.492 -0.800 20 0 IBADRP 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 1073593525 /nfs/dbraw/zinc/59/35/25/1073593525.db2.gz MQOSNQGORYAVJA-MGCCTARWSA-N 2 0 441.492 -0.800 20 0 IBADRP O=C(Cn1nc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1=O)N1CC[NH+](CC2CC2)CC1 ZINC001255304059 1073595325 /nfs/dbraw/zinc/59/53/25/1073595325.db2.gz VOMCGLYPZZOJQU-UHFFFAOYSA-N 2 0 442.564 -0.035 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C)C1)C(N)=O ZINC001255480074 1073595991 /nfs/dbraw/zinc/59/59/91/1073595991.db2.gz RRUGYPFXDXDBIQ-VJANTYMQSA-N 2 0 438.617 -0.215 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C)C1)C(N)=O ZINC001255480077 1073596002 /nfs/dbraw/zinc/59/60/02/1073596002.db2.gz RRUGYPFXDXDBIQ-XWSJACJDSA-N 2 0 438.617 -0.215 20 0 IBADRP COC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001255562411 1073596786 /nfs/dbraw/zinc/59/67/86/1073596786.db2.gz XBWQGFATCINITQ-FQEVSTJZSA-N 2 0 440.578 -0.314 20 0 IBADRP COC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001255562412 1073596647 /nfs/dbraw/zinc/59/66/47/1073596647.db2.gz XBWQGFATCINITQ-HXUWFJFHSA-N 2 0 440.578 -0.314 20 0 IBADRP C[C@@H](CC(F)(F)F)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255647026 1073598131 /nfs/dbraw/zinc/59/81/31/1073598131.db2.gz UYBCDSYELVBGBX-UBHSHLNASA-N 2 0 449.478 -0.518 20 0 IBADRP C[C@H](CC(F)(F)F)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255647027 1073598044 /nfs/dbraw/zinc/59/80/44/1073598044.db2.gz UYBCDSYELVBGBX-XBFCOCLRSA-N 2 0 449.478 -0.518 20 0 IBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCCCCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255886989 1073599093 /nfs/dbraw/zinc/59/90/93/1073599093.db2.gz KYINYZIAFJWRDJ-ROUUACIJSA-N 2 0 435.573 -0.137 20 0 IBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(C)CC1)C(N)=O ZINC001256201267 1073601931 /nfs/dbraw/zinc/60/19/31/1073601931.db2.gz BBGCMCMTSMYXOT-FHWLQOOXSA-N 2 0 438.617 -0.215 20 0 IBADRP CC(C)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256366953 1073603801 /nfs/dbraw/zinc/60/38/01/1073603801.db2.gz TZQTVIOXQAUUPM-NJAFHUGGSA-N 2 0 437.589 -0.035 20 0 IBADRP CC(C)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256366954 1073603909 /nfs/dbraw/zinc/60/39/09/1073603909.db2.gz TZQTVIOXQAUUPM-SZMVWBNQSA-N 2 0 437.589 -0.035 20 0 IBADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256620840 1073607484 /nfs/dbraw/zinc/60/74/84/1073607484.db2.gz FFUADAPRJLTPKK-AQUVMHGZSA-N 2 0 431.537 -0.376 20 0 IBADRP NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256688776 1073608326 /nfs/dbraw/zinc/60/83/26/1073608326.db2.gz KFIYBKRFIMASOF-WXDAQCLHSA-N 2 0 434.537 -0.501 20 0 IBADRP C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256688845 1073608058 /nfs/dbraw/zinc/60/80/58/1073608058.db2.gz MIFBTWXZARZNFR-ZSSWMJCKSA-N 2 0 448.564 -0.113 20 0 IBADRP NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256854991 1073609109 /nfs/dbraw/zinc/60/91/09/1073609109.db2.gz CLQLBIVMUXSEEP-PMACEKPBSA-N 2 0 427.505 -0.081 20 0 IBADRP 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 1073608801 /nfs/dbraw/zinc/60/88/01/1073608801.db2.gz OQEQFDLNWYAOPO-AOVUVUSJSA-N 2 0 433.513 -0.667 20 0 IBADRP 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 1073608958 /nfs/dbraw/zinc/60/89/58/1073608958.db2.gz OQEQFDLNWYAOPO-PBOZHIJLSA-N 2 0 433.513 -0.667 20 0 IBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCSC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001257667999 1073612473 /nfs/dbraw/zinc/61/24/73/1073612473.db2.gz LDOKHDAVZYSVAV-JYJNAYRXSA-N 2 0 439.586 -0.964 20 0 IBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCSC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001257668003 1073612527 /nfs/dbraw/zinc/61/25/27/1073612527.db2.gz LDOKHDAVZYSVAV-PMPSAXMXSA-N 2 0 439.586 -0.964 20 0 IBADRP C[C@@H]1CC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H](C)C1 ZINC001258165445 1073617526 /nfs/dbraw/zinc/61/75/26/1073617526.db2.gz ZOTLLDQNFMRUNS-LNMJFAINSA-N 2 0 449.600 -0.035 20 0 IBADRP C[C@H]1CC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H](C)C1 ZINC001258165446 1073617708 /nfs/dbraw/zinc/61/77/08/1073617708.db2.gz ZOTLLDQNFMRUNS-LTDCPUDJSA-N 2 0 449.600 -0.035 20 0 IBADRP C[C@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H](C)C1 ZINC001258165447 1073617589 /nfs/dbraw/zinc/61/75/89/1073617589.db2.gz ZOTLLDQNFMRUNS-XJWCYLOLSA-N 2 0 449.600 -0.035 20 0 IBADRP C[C@H](Cc1ccco1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258184834 1073617518 /nfs/dbraw/zinc/61/75/18/1073617518.db2.gz JPRCZNOGXBECNL-JLSDUUJJSA-N 2 0 447.540 -0.635 20 0 IBADRP C[C@@H](Cc1ccco1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258184836 1073617694 /nfs/dbraw/zinc/61/76/94/1073617694.db2.gz JPRCZNOGXBECNL-WBAXXEDZSA-N 2 0 447.540 -0.635 20 0 IBADRP CSCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258213503 1073618337 /nfs/dbraw/zinc/61/83/37/1073618337.db2.gz QUQLBHJBIJJWHV-BPUTZDHNSA-N 2 0 441.602 -0.718 20 0 IBADRP CSCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258213504 1073618304 /nfs/dbraw/zinc/61/83/04/1073618304.db2.gz QUQLBHJBIJJWHV-KBMXLJTQSA-N 2 0 441.602 -0.718 20 0 IBADRP COC(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001258358085 1073618462 /nfs/dbraw/zinc/61/84/62/1073618462.db2.gz JJJDPOJPBAPLJZ-IBGZPJMESA-N 2 0 438.562 -0.024 20 0 IBADRP COC(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001258358086 1073618423 /nfs/dbraw/zinc/61/84/23/1073618423.db2.gz JJJDPOJPBAPLJZ-LJQANCHMSA-N 2 0 438.562 -0.024 20 0 IBADRP COC(=O)CC[C@@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001258364627 1073618449 /nfs/dbraw/zinc/61/84/49/1073618449.db2.gz QXGREFDHYJGLAO-PVAVHDDUSA-N 2 0 434.541 -0.238 20 0 IBADRP COC(=O)CC[C@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001258364628 1073619173 /nfs/dbraw/zinc/61/91/73/1073619173.db2.gz QXGREFDHYJGLAO-XIRDDKMYSA-N 2 0 434.541 -0.238 20 0 IBADRP CC1(C)CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258603036 1073620007 /nfs/dbraw/zinc/62/00/07/1073620007.db2.gz SLMOZXXJPWBWAU-IKGGRYGDSA-N 2 0 435.573 -0.281 20 0 IBADRP CC1(C)CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258603042 1073619726 /nfs/dbraw/zinc/61/97/26/1073619726.db2.gz SLMOZXXJPWBWAU-ULQDDVLXSA-N 2 0 435.573 -0.281 20 0 IBADRP C[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816320 1073620553 /nfs/dbraw/zinc/62/05/53/1073620553.db2.gz BMZVJUFGECIDJF-BGTYHANMSA-N 2 0 435.573 -0.281 20 0 IBADRP C[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816321 1073620639 /nfs/dbraw/zinc/62/06/39/1073620639.db2.gz BMZVJUFGECIDJF-DKIMLUQUSA-N 2 0 435.573 -0.281 20 0 IBADRP C[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816322 1073620503 /nfs/dbraw/zinc/62/05/03/1073620503.db2.gz BMZVJUFGECIDJF-RANZSIQMSA-N 2 0 435.573 -0.281 20 0 IBADRP C[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001258816323 1073620616 /nfs/dbraw/zinc/62/06/16/1073620616.db2.gz BMZVJUFGECIDJF-UBDQQSCGSA-N 2 0 435.573 -0.281 20 0 IBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288873309 1073719492 /nfs/dbraw/zinc/71/94/92/1073719492.db2.gz ZDFWDUVHNSFHMM-BEFAXECRSA-N 2 0 441.602 -0.513 20 0 IBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288873310 1073719610 /nfs/dbraw/zinc/71/96/10/1073719610.db2.gz ZDFWDUVHNSFHMM-DNVCBOLYSA-N 2 0 441.602 -0.513 20 0 IBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288873311 1073719563 /nfs/dbraw/zinc/71/95/63/1073719563.db2.gz ZDFWDUVHNSFHMM-HNAYVOBHSA-N 2 0 441.602 -0.513 20 0 IBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288873312 1073719633 /nfs/dbraw/zinc/71/96/33/1073719633.db2.gz ZDFWDUVHNSFHMM-KXBFYZLASA-N 2 0 441.602 -0.513 20 0 IBADRP 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 1073780206 /nfs/dbraw/zinc/78/02/06/1073780206.db2.gz SIRJDADAJIZKOZ-MPGHIAIKSA-N 2 0 429.591 -0.515 20 0 IBADRP 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 1073780371 /nfs/dbraw/zinc/78/03/71/1073780371.db2.gz SIRJDADAJIZKOZ-RLFYNMQTSA-N 2 0 429.591 -0.515 20 0 IBADRP 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 1073780301 /nfs/dbraw/zinc/78/03/01/1073780301.db2.gz SIRJDADAJIZKOZ-RVKKMQEKSA-N 2 0 429.591 -0.515 20 0 IBADRP 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 1073780495 /nfs/dbraw/zinc/78/04/95/1073780495.db2.gz SIRJDADAJIZKOZ-VKJFTORMSA-N 2 0 429.591 -0.515 20 0 IBADRP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297261586 1073796255 /nfs/dbraw/zinc/79/62/55/1073796255.db2.gz OURIHJSSBNANSK-NRFANRHFSA-N 2 0 435.573 -0.374 20 0 IBADRP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297261587 1073796410 /nfs/dbraw/zinc/79/64/10/1073796410.db2.gz OURIHJSSBNANSK-OAQYLSRUSA-N 2 0 435.573 -0.374 20 0 IBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C[C@H]1C[NH+](C)C ZINC001302403839 1073901308 /nfs/dbraw/zinc/90/13/08/1073901308.db2.gz RWZCOPLBALKBCW-ZIAGYGMSSA-N 2 0 439.538 -0.560 20 0 IBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH+](C)C ZINC001309758296 1074018939 /nfs/dbraw/zinc/01/89/39/1074018939.db2.gz CCHXWDTVLHZHLZ-IAGOWNOFSA-N 2 0 432.612 -0.034 20 0 IBADRP CC(=O)NCC(=O)N1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001311753185 1074029750 /nfs/dbraw/zinc/02/97/50/1074029750.db2.gz IGYUSAMOWSOHDR-UHFFFAOYSA-N 2 0 445.568 -0.026 20 0 IBADRP CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001311754577 1074030110 /nfs/dbraw/zinc/03/01/10/1074030110.db2.gz QPDUQSIOGLVDAQ-GOSISDBHSA-N 2 0 440.570 -0.447 20 0 IBADRP CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001311754584 1074030135 /nfs/dbraw/zinc/03/01/35/1074030135.db2.gz QPDUQSIOGLVDAQ-SFHVURJKSA-N 2 0 440.570 -0.447 20 0 IBADRP C[NH+](C)CCN1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC001311901336 1074031571 /nfs/dbraw/zinc/03/15/71/1074031571.db2.gz BMPOCNXFHXCCKY-UHFFFAOYSA-N 2 0 432.573 -0.206 20 0 IBADRP CN1C(=O)NC2(CC[NH+](CCOCC[NH+]3CCC4(CC3)NC(=O)N(C)C4=O)CC2)C1=O ZINC001319773282 1074202300 /nfs/dbraw/zinc/20/23/00/1074202300.db2.gz DYVVODFLEKJGBK-UHFFFAOYSA-N 2 0 436.513 -0.965 20 0 IBADRP C[NH+](C)C1(CNC(=O)CC(O)CC(=O)NCC2([NH+](C)C)CCOCC2)CCOCC1 ZINC001321620092 1074234090 /nfs/dbraw/zinc/23/40/90/1074234090.db2.gz YISIQRXRSJWUGH-UHFFFAOYSA-N 2 0 428.574 -0.419 20 0 IBADRP O=C(COCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001322075507 1074241166 /nfs/dbraw/zinc/24/11/66/1074241166.db2.gz VMYXAEYJHKTTCI-PMACEKPBSA-N 2 0 438.569 -0.636 20 0 IBADRP O=C(COCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001322075508 1074241113 /nfs/dbraw/zinc/24/11/13/1074241113.db2.gz VMYXAEYJHKTTCI-WOJBJXKFSA-N 2 0 438.569 -0.636 20 0 IBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001322561348 1074247529 /nfs/dbraw/zinc/24/75/29/1074247529.db2.gz DALNSABODDDDGT-HDICACEKSA-N 2 0 428.647 -0.776 20 0 IBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001322561351 1074247599 /nfs/dbraw/zinc/24/75/99/1074247599.db2.gz DALNSABODDDDGT-QZTJIDSGSA-N 2 0 428.647 -0.776 20 0 IBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CSCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001322561353 1074247568 /nfs/dbraw/zinc/24/75/68/1074247568.db2.gz DALNSABODDDDGT-ROUUACIJSA-N 2 0 428.647 -0.776 20 0 IBADRP C[C@H](CNC(=O)CSCC(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001322867739 1074251850 /nfs/dbraw/zinc/25/18/50/1074251850.db2.gz JFULLOWUWJWEOQ-HDICACEKSA-N 2 0 428.647 -0.776 20 0 IBADRP C[C@H](CNC(=O)CSCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001322867740 1074251973 /nfs/dbraw/zinc/25/19/73/1074251973.db2.gz JFULLOWUWJWEOQ-QZTJIDSGSA-N 2 0 428.647 -0.776 20 0 IBADRP C[C@@H](CNC(=O)CSCC(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001322867741 1074251878 /nfs/dbraw/zinc/25/18/78/1074251878.db2.gz JFULLOWUWJWEOQ-ROUUACIJSA-N 2 0 428.647 -0.776 20 0 IBADRP C[NH+]1CCC(O)(CNC(=O)Cc2ccc(CC(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC001323944100 1074261736 /nfs/dbraw/zinc/26/17/36/1074261736.db2.gz BSHOWFUGQIPOAR-UHFFFAOYSA-N 2 0 446.592 -0.083 20 0 IBADRP CNS(=O)(=O)C1CC[NH+](CCOCC[NH+]2CCC(S(=O)(=O)NC)CC2)CC1 ZINC001324242798 1074265449 /nfs/dbraw/zinc/26/54/49/1074265449.db2.gz DAUJYNVJNBJINV-UHFFFAOYSA-N 2 0 426.605 -0.970 20 0 IBADRP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CC(N4CC[NH+](C)CC4)C3)C2)CC1 ZINC001324387855 1074268606 /nfs/dbraw/zinc/26/86/06/1074268606.db2.gz OETJJJYJUYTQLD-FGZHOGPDSA-N 2 0 446.640 -0.291 20 0 IBADRP C[NH+](CC(O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001324747171 1074273480 /nfs/dbraw/zinc/27/34/80/1074273480.db2.gz ZSBVNCQSYCRWTE-UHFFFAOYSA-N 2 0 440.632 -0.941 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1(O)CCS(=O)(=O)CC1 ZINC001326664062 1074283909 /nfs/dbraw/zinc/28/39/09/1074283909.db2.gz WTRXQNDOKCUFQE-UHFFFAOYSA-N 2 0 425.555 -0.167 20 0 IBADRP C[NH+]1CCN(CCNC(=O)Cc2ccc(CC(=O)NCCN3CC[NH+](C)CC3)cc2)CC1 ZINC001337969731 1074308980 /nfs/dbraw/zinc/30/89/80/1074308980.db2.gz VAHIOADBXMIKMZ-UHFFFAOYSA-N 2 0 444.624 -0.501 20 0 IBADRP 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 1074319288 /nfs/dbraw/zinc/31/92/88/1074319288.db2.gz LTBPOJZNKBJKOH-FJAPILEGSA-N 2 0 448.608 -0.157 20 0 IBADRP Cn1cc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001464557683 1074537570 /nfs/dbraw/zinc/53/75/70/1074537570.db2.gz MPCIGQBCVUKXIV-VAMGGRTRSA-N 2 0 441.536 -0.366 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@]12COCCN1C(=O)COC2 ZINC001468363577 1074564361 /nfs/dbraw/zinc/56/43/61/1074564361.db2.gz OJTAMAJKTVGIDZ-NRFANRHFSA-N 2 0 432.525 -0.479 20 0 IBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@]12COCCN1C(=O)COC2 ZINC001468363578 1074564328 /nfs/dbraw/zinc/56/43/28/1074564328.db2.gz OJTAMAJKTVGIDZ-OAQYLSRUSA-N 2 0 432.525 -0.479 20 0 IBADRP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001468743162 1074567486 /nfs/dbraw/zinc/56/74/86/1074567486.db2.gz CUUWJMNTCJRBRS-FQEVSTJZSA-N 2 0 438.617 -0.511 20 0 IBADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001468743163 1074567880 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