smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000490570756 1068002810 /nfs/dbraw/zinc/00/28/10/1068002810.db2.gz WPMAWOFEVRTPPW-UHFFFAOYSA-N 2 0 490.649 -0.310 20 0 JBADRP NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498531946 1068220794 /nfs/dbraw/zinc/22/07/94/1068220794.db2.gz OQQQVCIWRHWIHE-UHFFFAOYSA-N 2 0 474.543 -0.035 20 0 JBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000499164540 1068280833 /nfs/dbraw/zinc/28/08/33/1068280833.db2.gz OSDSVQFKCLNIJK-UHFFFAOYSA-N 2 0 466.546 -0.320 20 0 JBADRP Cn1c(=O)c2cc(NC(=O)C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cnc2n(C)c1=O ZINC000499168118 1068280815 /nfs/dbraw/zinc/28/08/15/1068280815.db2.gz JJQNYKUNXLCEHR-UHFFFAOYSA-N 2 0 480.529 -0.706 20 0 JBADRP NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000499187574 1068280530 /nfs/dbraw/zinc/28/05/30/1068280530.db2.gz JCZQTJFDOSZARD-UHFFFAOYSA-N 2 0 467.530 -0.436 20 0 JBADRP Cn1c2ncn(CCC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c(=O)n(C)c1=O ZINC000500007359 1067713347 /nfs/dbraw/zinc/71/33/47/1067713347.db2.gz IUSBCHDFWKLCEN-UHFFFAOYSA-N 2 0 454.535 -0.453 20 0 JBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)ccc2oc1=O ZINC000503610857 1067772770 /nfs/dbraw/zinc/77/27/70/1067772770.db2.gz OGMYGHAVGTUUDN-UHFFFAOYSA-N 2 0 472.546 -0.139 20 0 JBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000508234923 1067911287 /nfs/dbraw/zinc/91/12/87/1067911287.db2.gz INSFSMHDRGTYPB-UHFFFAOYSA-N 2 0 452.600 -0.988 20 0 JBADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000510022346 1067812574 /nfs/dbraw/zinc/81/25/74/1067812574.db2.gz CJVRRFHAYOWTCT-MSOLQXFVSA-N 2 0 466.608 -0.168 20 0 JBADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000510022347 1067812382 /nfs/dbraw/zinc/81/23/82/1067812382.db2.gz CJVRRFHAYOWTCT-QZTJIDSGSA-N 2 0 466.608 -0.168 20 0 JBADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000510022348 1067812594 /nfs/dbraw/zinc/81/25/94/1067812594.db2.gz CJVRRFHAYOWTCT-ROUUACIJSA-N 2 0 466.608 -0.168 20 0 JBADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000510022349 1067812458 /nfs/dbraw/zinc/81/24/58/1067812458.db2.gz CJVRRFHAYOWTCT-ZWKOTPCHSA-N 2 0 466.608 -0.168 20 0 JBADRP O=C(CN1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1)N1CCOCC1 ZINC000511015105 1067672623 /nfs/dbraw/zinc/67/26/23/1067672623.db2.gz OCOOILKROZDUGZ-UHFFFAOYSA-N 2 0 459.595 -0.220 20 0 JBADRP O=C(CN1CCN(C(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1)N1CCOCC1 ZINC000514352196 1067787200 /nfs/dbraw/zinc/78/72/00/1067787200.db2.gz POTLBAMQWCYGPP-UHFFFAOYSA-N 2 0 451.612 -0.576 20 0 JBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514369472 1067792039 /nfs/dbraw/zinc/79/20/39/1067792039.db2.gz PWUZNMFCVBJEIX-UHFFFAOYSA-N 2 0 473.578 -0.694 20 0 JBADRP O=C(CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000514474872 1067804282 /nfs/dbraw/zinc/80/42/82/1067804282.db2.gz WSBOBWTZXNBXSX-KRWDZBQOSA-N 2 0 452.581 -0.414 20 0 JBADRP O=C(CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000514474873 1067804116 /nfs/dbraw/zinc/80/41/16/1067804116.db2.gz WSBOBWTZXNBXSX-QGZVFWFLSA-N 2 0 452.581 -0.414 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2)CC1 ZINC000518037670 1067868143 /nfs/dbraw/zinc/86/81/43/1067868143.db2.gz IXOUTXJSLZAXSL-UHFFFAOYSA-N 2 0 472.590 -0.621 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)CCCCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000521541877 1067922243 /nfs/dbraw/zinc/92/22/43/1067922243.db2.gz LWSDVYSXQSHISX-UHFFFAOYSA-N 2 0 466.627 -0.598 20 0 JBADRP O=C(CN1CCOCC1)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000523313572 1067936370 /nfs/dbraw/zinc/93/63/70/1067936370.db2.gz AMOJOSHVOHJFDF-UHFFFAOYSA-N 2 0 459.595 -0.220 20 0 JBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)ccn2)CC1 ZINC000550981913 1067964424 /nfs/dbraw/zinc/96/44/24/1067964424.db2.gz RRDQQXLTPGWRLR-UHFFFAOYSA-N 2 0 466.590 -0.087 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)CC2(CC(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CCCC2)CC1 ZINC000552455491 1067968094 /nfs/dbraw/zinc/96/80/94/1067968094.db2.gz ZXBJVQSZZISVJK-UHFFFAOYSA-N 2 0 492.665 -0.208 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)s2)CC1 ZINC000552525029 1067968686 /nfs/dbraw/zinc/96/86/86/1067968686.db2.gz AGFHQCIPHADDEC-UHFFFAOYSA-N 2 0 478.619 -0.560 20 0 JBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000561240422 1069041830 /nfs/dbraw/zinc/04/18/30/1069041830.db2.gz NZJRUHVKZNGLFI-UHFFFAOYSA-N 2 0 466.590 -0.087 20 0 JBADRP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)C[C@@H](C)O1 ZINC000563275863 1069043020 /nfs/dbraw/zinc/04/30/20/1069043020.db2.gz ITBAXHDJDDMQAH-NHCUHLMSSA-N 2 0 465.639 -0.189 20 0 JBADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)C[C@H](C)O1 ZINC000563275864 1069043040 /nfs/dbraw/zinc/04/30/40/1069043040.db2.gz ITBAXHDJDDMQAH-OYRHEFFESA-N 2 0 465.639 -0.189 20 0 JBADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)C[C@H](C)O1 ZINC000563275865 1069043141 /nfs/dbraw/zinc/04/31/41/1069043141.db2.gz ITBAXHDJDDMQAH-SFTDATJTSA-N 2 0 465.639 -0.189 20 0 JBADRP O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000591583419 1068033480 /nfs/dbraw/zinc/03/34/80/1068033480.db2.gz GVAXMMKOVMYATA-UHFFFAOYSA-N 2 0 471.562 -0.404 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)CCCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000591799581 1068035252 /nfs/dbraw/zinc/03/52/52/1068035252.db2.gz ODGDOJBJAONPAQ-UHFFFAOYSA-N 2 0 452.600 -0.988 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2)CC1 ZINC000620774147 1068343156 /nfs/dbraw/zinc/34/31/56/1068343156.db2.gz GWSBVPFGHJDUNV-PMACEKPBSA-N 2 0 478.638 -0.742 20 0 JBADRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2)CC1 ZINC000620774149 1068343472 /nfs/dbraw/zinc/34/34/72/1068343472.db2.gz GWSBVPFGHJDUNV-WOJBJXKFSA-N 2 0 478.638 -0.742 20 0 JBADRP CS(=O)(=O)N1CCN(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623130722 1068349948 /nfs/dbraw/zinc/34/99/48/1068349948.db2.gz CNWMGBJVAULBTA-UHFFFAOYSA-N 2 0 453.613 -0.530 20 0 JBADRP CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC000623130843 1068349980 /nfs/dbraw/zinc/34/99/80/1068349980.db2.gz BVZMWIIHOCMVLT-UHFFFAOYSA-N 2 0 494.666 -0.587 20 0 JBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000623130952 1068349657 /nfs/dbraw/zinc/34/96/57/1068349657.db2.gz LOFAJGMDRUNCNN-UHFFFAOYSA-N 2 0 481.623 -0.502 20 0 JBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000748286492 1069109257 /nfs/dbraw/zinc/10/92/57/1069109257.db2.gz FIECXKFNWSWABU-GOSISDBHSA-N 2 0 462.576 -0.125 20 0 JBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000748286493 1069108993 /nfs/dbraw/zinc/10/89/93/1069108993.db2.gz FIECXKFNWSWABU-SFHVURJKSA-N 2 0 462.576 -0.125 20 0 JBADRP Cc1cn(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+])c(=O)[nH]c1=O ZINC001142322703 1069224050 /nfs/dbraw/zinc/22/40/50/1069224050.db2.gz WJXXUDLPHORMLC-DQWLROJASA-N 2 0 455.556 -0.447 20 0 JBADRP Cc1cn(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+])c(=O)[nH]c1=O ZINC001142322704 1069224153 /nfs/dbraw/zinc/22/41/53/1069224153.db2.gz WJXXUDLPHORMLC-DUUCEYBISA-N 2 0 455.556 -0.447 20 0 JBADRP Cc1cn(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+])c(=O)[nH]c1=O ZINC001142322705 1069223849 /nfs/dbraw/zinc/22/38/49/1069223849.db2.gz WJXXUDLPHORMLC-KBVRGVHISA-N 2 0 455.556 -0.447 20 0 JBADRP Cc1cn(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+])c(=O)[nH]c1=O ZINC001142322706 1069223955 /nfs/dbraw/zinc/22/39/55/1069223955.db2.gz WJXXUDLPHORMLC-RNULLNAKSA-N 2 0 455.556 -0.447 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[N@H+](C)C(C)C)C(N)=O ZINC001142590544 1067974062 /nfs/dbraw/zinc/97/40/62/1067974062.db2.gz DYSGRPQRDICDAN-LNLFQRSKSA-N 2 0 454.616 -0.443 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC[NH+]1CCCCC1)c(N)nc2=O ZINC001142923155 1069236149 /nfs/dbraw/zinc/23/61/49/1069236149.db2.gz MTLGULWAKYLTCC-DOTOQJQBSA-N 2 0 493.565 -0.447 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC[NH+]1CCCCC1)c(N)nc2=O ZINC001142923156 1069236292 /nfs/dbraw/zinc/23/62/92/1069236292.db2.gz MTLGULWAKYLTCC-RDJZCZTQSA-N 2 0 493.565 -0.447 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC[NH+](C)CC1)c(N)nc2=O ZINC001143316332 1069239831 /nfs/dbraw/zinc/23/98/31/1069239831.db2.gz FTQNSSMKWNNTRH-GJZGRUSLSA-N 2 0 479.538 -0.981 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC[NH+](C)CC1)c(N)nc2=O ZINC001143316333 1069239982 /nfs/dbraw/zinc/23/99/82/1069239982.db2.gz FTQNSSMKWNNTRH-LSDHHAIUSA-N 2 0 479.538 -0.981 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001143317604 1069240256 /nfs/dbraw/zinc/24/02/56/1069240256.db2.gz YZZVYEPJGPWQNZ-FHWLQOOXSA-N 2 0 466.627 -0.441 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC1CC[NH+](C)CC1)c(N)nc2=O ZINC001143359843 1068570578 /nfs/dbraw/zinc/57/05/78/1068570578.db2.gz IAKVEIXROTXYAT-DOTOQJQBSA-N 2 0 493.565 -0.591 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC1CC[NH+](C)CC1)c(N)nc2=O ZINC001143359844 1068570494 /nfs/dbraw/zinc/57/04/94/1068570494.db2.gz IAKVEIXROTXYAT-RDJZCZTQSA-N 2 0 493.565 -0.591 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001143366641 1069241066 /nfs/dbraw/zinc/24/10/66/1069241066.db2.gz ADUQMNMCKMMIGK-ZJOUEHCJSA-N 2 0 480.654 -0.051 20 0 JBADRP COC(=O)[C@H](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+])NC(C)=O ZINC001144964872 1068593134 /nfs/dbraw/zinc/59/31/34/1068593134.db2.gz ZLLYSADZIPTYNR-GAKQYBQZSA-N 2 0 474.599 -0.260 20 0 JBADRP COC(=O)[C@H](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+])NC(C)=O ZINC001144964873 1068593271 /nfs/dbraw/zinc/59/32/71/1068593271.db2.gz ZLLYSADZIPTYNR-MNIZTNQSSA-N 2 0 474.599 -0.260 20 0 JBADRP COC(=O)[C@H](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+])NC(C)=O ZINC001144964874 1068593307 /nfs/dbraw/zinc/59/33/07/1068593307.db2.gz ZLLYSADZIPTYNR-ODGNUVPMSA-N 2 0 474.599 -0.260 20 0 JBADRP COC(=O)[C@H](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+])NC(C)=O ZINC001144964875 1068593022 /nfs/dbraw/zinc/59/30/22/1068593022.db2.gz ZLLYSADZIPTYNR-TWTKXFDXSA-N 2 0 474.599 -0.260 20 0 JBADRP CC[NH+]1CCC(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001146788093 1068612925 /nfs/dbraw/zinc/61/29/25/1068612925.db2.gz NNLRWSDXLZHODG-HOTGVXAUSA-N 2 0 493.565 -0.591 20 0 JBADRP CC[NH+]1CCC(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001146788095 1068612696 /nfs/dbraw/zinc/61/26/96/1068612696.db2.gz NNLRWSDXLZHODG-JKSUJKDBSA-N 2 0 493.565 -0.591 20 0 JBADRP CC[NH+]1CCC(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001146792832 1068612772 /nfs/dbraw/zinc/61/27/72/1068612772.db2.gz PRWXYUNMCNFCGB-UFYCRDLUSA-N 2 0 480.654 -0.051 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@H](O)OC(C)(C)C)C1 ZINC001147551250 1068619303 /nfs/dbraw/zinc/61/93/03/1068619303.db2.gz QXVXPRXTAUKERW-DBFNXHSOSA-N 2 0 452.556 -0.464 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@H](O)OC(C)(C)C)C1 ZINC001147551251 1068619376 /nfs/dbraw/zinc/61/93/76/1068619376.db2.gz QXVXPRXTAUKERW-KORAHWDHSA-N 2 0 452.556 -0.464 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147551252 1068619338 /nfs/dbraw/zinc/61/93/38/1068619338.db2.gz QXVXPRXTAUKERW-OYRXCQIOSA-N 2 0 452.556 -0.464 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147551253 1068619178 /nfs/dbraw/zinc/61/91/78/1068619178.db2.gz QXVXPRXTAUKERW-TUIYHMDZSA-N 2 0 452.556 -0.464 20 0 JBADRP CN(C)C(=O)CN1Cc2c(C(=O)N(CCCC[NH3+])C(=N)N)ncn2-c2ccccc2S1(=O)=O ZINC001150383330 1069251952 /nfs/dbraw/zinc/25/19/52/1069251952.db2.gz LUPMETJGQKWEBG-UHFFFAOYSA-N 2 0 476.563 -0.461 20 0 JBADRP CS(=O)(=O)c1nc2c(c(N([C@@H]3CC[NH2+]C3)S(=O)(=O)c3ccccn3)n1)CC[NH2+]CC2 ZINC001157094931 1069291953 /nfs/dbraw/zinc/29/19/53/1069291953.db2.gz AJSRXPACQIQZGY-CYBMUJFWSA-N 2 0 452.562 -0.480 20 0 JBADRP CS(=O)(=O)c1nc2c(c(N([C@H]3CC[NH2+]C3)S(=O)(=O)c3ccccn3)n1)CC[NH2+]CC2 ZINC001157094932 1069292007 /nfs/dbraw/zinc/29/20/07/1069292007.db2.gz AJSRXPACQIQZGY-ZDUSSCGKSA-N 2 0 452.562 -0.480 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)C(N)=O ZINC001157325143 1069293901 /nfs/dbraw/zinc/29/39/01/1069293901.db2.gz PYSNAMDCDWAVGB-AABGKKOBSA-N 2 0 475.590 -0.502 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)C(N)=O ZINC001157325145 1069293706 /nfs/dbraw/zinc/29/37/06/1069293706.db2.gz PYSNAMDCDWAVGB-AQNXPRMDSA-N 2 0 475.590 -0.502 20 0 JBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)ccc12 ZINC001157365414 1069295250 /nfs/dbraw/zinc/29/52/50/1069295250.db2.gz YUOXVQUWAXHIAU-IBGZPJMESA-N 2 0 485.541 -0.275 20 0 JBADRP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)ccc12 ZINC001157365415 1069295510 /nfs/dbraw/zinc/29/55/10/1069295510.db2.gz YUOXVQUWAXHIAU-LJQANCHMSA-N 2 0 485.541 -0.275 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386444 1069296042 /nfs/dbraw/zinc/29/60/42/1069296042.db2.gz MDROGBCNAPYHTR-FHWLQOOXSA-N 2 0 466.627 -0.378 20 0 JBADRP C[NH+]1CCN(c2ccc(N3CCN([C@@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nn2)CC1 ZINC001157399443 1069295906 /nfs/dbraw/zinc/29/59/06/1069295906.db2.gz HXHGWQLYGHXHDC-ROUUACIJSA-N 2 0 464.565 -0.052 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001157400267 1069295939 /nfs/dbraw/zinc/29/59/39/1069295939.db2.gz GTWIEGNXEHQKFK-IRXDYDNUSA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001157400469 1069296081 /nfs/dbraw/zinc/29/60/81/1069296081.db2.gz RAFACETXNPDCBI-IRXDYDNUSA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001157401217 1069295964 /nfs/dbraw/zinc/29/59/64/1069295964.db2.gz BHHUODLTJXSDHC-HKUYNNGSSA-N 2 0 477.560 -0.153 20 0 JBADRP C[C@@H]1O[C@@H](OCCNC(=O)[C@]23C[N@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422459 1069296717 /nfs/dbraw/zinc/29/67/17/1069296717.db2.gz GEVYZNSTWGHQFG-OUXAWTNZSA-N 2 0 463.575 -0.552 20 0 JBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001157448939 1069297214 /nfs/dbraw/zinc/29/72/14/1069297214.db2.gz PSKFZDYXGDXEJD-DOXZYTNZSA-N 2 0 487.573 -0.839 20 0 JBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001157449283 1069297559 /nfs/dbraw/zinc/29/75/59/1069297559.db2.gz VOSWUEGDHXECRV-IRXDYDNUSA-N 2 0 453.584 -0.341 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077366 1069301615 /nfs/dbraw/zinc/30/16/15/1069301615.db2.gz ULPGADDGMKPINX-FPOVZHCZSA-N 2 0 459.591 -0.206 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)c2)cc1 ZINC001158112302 1069302464 /nfs/dbraw/zinc/30/24/64/1069302464.db2.gz XLMZNZXJYIIRBY-GCJKJVERSA-N 2 0 472.571 -0.764 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)c2)cc1 ZINC001158112304 1069302811 /nfs/dbraw/zinc/30/28/11/1069302811.db2.gz XLMZNZXJYIIRBY-XMSQKQJNSA-N 2 0 472.571 -0.764 20 0 JBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118771 1069302604 /nfs/dbraw/zinc/30/26/04/1069302604.db2.gz DHSVVNYSYSKMPF-BSRJHKFKSA-N 2 0 459.616 -0.268 20 0 JBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118773 1069302650 /nfs/dbraw/zinc/30/26/50/1069302650.db2.gz DHSVVNYSYSKMPF-IUKKYPGJSA-N 2 0 459.616 -0.268 20 0 JBADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119369 1069302435 /nfs/dbraw/zinc/30/24/35/1069302435.db2.gz GNYBUSQSDWXACL-HOYKHHGWSA-N 2 0 452.559 -0.129 20 0 JBADRP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119370 1069303289 /nfs/dbraw/zinc/30/32/89/1069303289.db2.gz GNYBUSQSDWXACL-KOSHJBKYSA-N 2 0 452.559 -0.129 20 0 JBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)cc1 ZINC001158121862 1069303568 /nfs/dbraw/zinc/30/35/68/1069303568.db2.gz XLLPTXGOGMXFFP-AVRDEDQJSA-N 2 0 463.604 -0.291 20 0 JBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)cc1 ZINC001158121863 1069303783 /nfs/dbraw/zinc/30/37/83/1069303783.db2.gz XLLPTXGOGMXFFP-PGRDOPGGSA-N 2 0 463.604 -0.291 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158122182 1069303597 /nfs/dbraw/zinc/30/35/97/1069303597.db2.gz ZYPXOOQSPQJVNI-AXHZCLLHSA-N 2 0 457.575 -0.269 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158122183 1069303797 /nfs/dbraw/zinc/30/37/97/1069303797.db2.gz ZYPXOOQSPQJVNI-JXQFQVJHSA-N 2 0 457.575 -0.269 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276634 1069304315 /nfs/dbraw/zinc/30/43/15/1069304315.db2.gz BNDMXNZXWMPJQK-IRXDYDNUSA-N 2 0 460.583 -0.902 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276837 1069304489 /nfs/dbraw/zinc/30/44/89/1069304489.db2.gz DYBMJEXKCPCFAT-UGKGYDQZSA-N 2 0 496.616 -0.474 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277926 1069304921 /nfs/dbraw/zinc/30/49/21/1069304921.db2.gz XNRVFEGCOCUEGR-BZSNNMDCSA-N 2 0 474.610 -0.432 20 0 JBADRP [NH3+][C@@H](C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158351707 1069305699 /nfs/dbraw/zinc/30/56/99/1069305699.db2.gz CMNDCDHXXOBFGK-ROKPMTFOSA-N 2 0 471.606 -0.293 20 0 JBADRP [NH3+][C@H](C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158351708 1069305551 /nfs/dbraw/zinc/30/55/51/1069305551.db2.gz CMNDCDHXXOBFGK-SKPFHBQLSA-N 2 0 471.606 -0.293 20 0 JBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CCC2 ZINC001158351836 1069305413 /nfs/dbraw/zinc/30/54/13/1069305413.db2.gz DGISDAGZSGGYMY-GRADPPADSA-N 2 0 483.617 -0.421 20 0 JBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352049 1069306017 /nfs/dbraw/zinc/30/60/17/1069306017.db2.gz IFLONVPDDGRERZ-SPEDKVCISA-N 2 0 477.635 -0.600 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352630 1069306940 /nfs/dbraw/zinc/30/69/40/1069306940.db2.gz SGJCVXJKOHEHPR-YDHSSHFGSA-N 2 0 459.595 -0.163 20 0 JBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352671 1069307670 /nfs/dbraw/zinc/30/76/70/1069307670.db2.gz UOQNGYQRBYGVHX-GLDPYIMESA-N 2 0 469.590 -0.811 20 0 JBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352672 1069307501 /nfs/dbraw/zinc/30/75/01/1069307501.db2.gz UOQNGYQRBYGVHX-JXQFQVJHSA-N 2 0 469.590 -0.811 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001158381013 1069308272 /nfs/dbraw/zinc/30/82/72/1069308272.db2.gz ITNAIXOLKHDLLY-IGNZVWTISA-N 2 0 452.474 -0.211 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001158381015 1069307975 /nfs/dbraw/zinc/30/79/75/1069307975.db2.gz ITNAIXOLKHDLLY-JBBXEZCESA-N 2 0 452.474 -0.211 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001158381017 1069308289 /nfs/dbraw/zinc/30/82/89/1069308289.db2.gz ITNAIXOLKHDLLY-RZAIGCCYSA-N 2 0 452.474 -0.211 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001158381019 1069308251 /nfs/dbraw/zinc/30/82/51/1069308251.db2.gz ITNAIXOLKHDLLY-UYHISHBKSA-N 2 0 452.474 -0.211 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001158382126 1069308214 /nfs/dbraw/zinc/30/82/14/1069308214.db2.gz IGHNXMWRBXSDED-FSPWUOQZSA-N 2 0 467.510 -0.056 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001158382129 1069308093 /nfs/dbraw/zinc/30/80/93/1069308093.db2.gz IGHNXMWRBXSDED-MORSLUCNSA-N 2 0 467.510 -0.056 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001158382133 1069307929 /nfs/dbraw/zinc/30/79/29/1069307929.db2.gz IGHNXMWRBXSDED-VHSSKADRSA-N 2 0 467.510 -0.056 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001158382136 1069308325 /nfs/dbraw/zinc/30/83/25/1069308325.db2.gz IGHNXMWRBXSDED-XWIAVFTESA-N 2 0 467.510 -0.056 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158383085 1069308056 /nfs/dbraw/zinc/30/80/56/1069308056.db2.gz NWSPGSOMQVQDKR-HZVDNRATSA-N 3 0 477.528 -0.023 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158383111 1069308019 /nfs/dbraw/zinc/30/80/19/1069308019.db2.gz NWSPGSOMQVQDKR-IQGAEYHTSA-N 3 0 477.528 -0.023 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158383112 1069308829 /nfs/dbraw/zinc/30/88/29/1069308829.db2.gz NWSPGSOMQVQDKR-QPAVJXABSA-N 3 0 477.528 -0.023 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158383114 1069308622 /nfs/dbraw/zinc/30/86/22/1069308622.db2.gz NWSPGSOMQVQDKR-SLUIBLPYSA-N 3 0 477.528 -0.023 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])C2 ZINC001158383314 1069308547 /nfs/dbraw/zinc/30/85/47/1069308547.db2.gz OKEHWZOHUXJRAP-BMEPFDOTSA-N 2 0 450.458 -0.159 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])C2 ZINC001158383315 1069308689 /nfs/dbraw/zinc/30/86/89/1069308689.db2.gz OKEHWZOHUXJRAP-GNTOHDJUSA-N 2 0 450.458 -0.159 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])C2 ZINC001158383316 1069308790 /nfs/dbraw/zinc/30/87/90/1069308790.db2.gz OKEHWZOHUXJRAP-UQLKUDODSA-N 2 0 450.458 -0.159 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])C2 ZINC001158383318 1069308747 /nfs/dbraw/zinc/30/87/47/1069308747.db2.gz OKEHWZOHUXJRAP-YDOWWZDFSA-N 2 0 450.458 -0.159 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001158384242 1069308580 /nfs/dbraw/zinc/30/85/80/1069308580.db2.gz RBJXYHUKLLSZPL-AGRHKRQWSA-N 2 0 472.468 -0.143 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001158384243 1069308899 /nfs/dbraw/zinc/30/88/99/1069308899.db2.gz RBJXYHUKLLSZPL-BKTGTZMESA-N 2 0 472.468 -0.143 20 0 JBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001158384244 1069308863 /nfs/dbraw/zinc/30/88/63/1069308863.db2.gz RBJXYHUKLLSZPL-FASAQXTFSA-N 2 0 472.468 -0.143 20 0 JBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001158384245 1069308661 /nfs/dbraw/zinc/30/86/61/1069308661.db2.gz RBJXYHUKLLSZPL-MJXNMMHHSA-N 2 0 472.468 -0.143 20 0 JBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158479310 1069309075 /nfs/dbraw/zinc/30/90/75/1069309075.db2.gz JAQDOAXEAHCZAF-LZDTVADOSA-N 2 0 477.606 -0.388 20 0 JBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001158479658 1069309349 /nfs/dbraw/zinc/30/93/49/1069309349.db2.gz OSYABKOVXGYELA-CJKQYIFKSA-N 2 0 451.568 -0.745 20 0 JBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001158498655 1069309293 /nfs/dbraw/zinc/30/92/93/1069309293.db2.gz RTGWYHURVQTOCY-KOUJMVCDSA-N 2 0 465.595 -0.393 20 0 JBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001158507278 1069309764 /nfs/dbraw/zinc/30/97/64/1069309764.db2.gz XAFPPKZEVPMEMF-UERWRGBPSA-N 2 0 487.601 -0.435 20 0 JBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001158507349 1069309714 /nfs/dbraw/zinc/30/97/14/1069309714.db2.gz XZJRIJVDLADPKX-KFGODFMUSA-N 2 0 451.568 -0.863 20 0 JBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)CC1 ZINC001158513250 1069309690 /nfs/dbraw/zinc/30/96/90/1069309690.db2.gz LZBVCCYLDBLXCV-LPHOPBHVSA-N 2 0 465.595 -0.293 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547354 1069309907 /nfs/dbraw/zinc/30/99/07/1069309907.db2.gz OCHJETYZCUCZGK-XLJWXPPYSA-N 2 0 471.602 -0.207 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547356 1069309738 /nfs/dbraw/zinc/30/97/38/1069309738.db2.gz OCHJETYZCUCZGK-XQPKCKMASA-N 2 0 471.602 -0.207 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C(=O)CF ZINC001158580069 1069309980 /nfs/dbraw/zinc/30/99/80/1069309980.db2.gz ZWFZCKSEWVARCB-DTFBLWLJSA-N 2 0 459.538 -0.577 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C(=O)CF ZINC001158580077 1069310066 /nfs/dbraw/zinc/31/00/66/1069310066.db2.gz ZWFZCKSEWVARCB-GLRLOKQVSA-N 2 0 459.538 -0.577 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C(=O)CF ZINC001158580079 1069309799 /nfs/dbraw/zinc/30/97/99/1069309799.db2.gz ZWFZCKSEWVARCB-KIBLCYBISA-N 2 0 459.538 -0.577 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C(=O)CF ZINC001158580080 1069310038 /nfs/dbraw/zinc/31/00/38/1069310038.db2.gz ZWFZCKSEWVARCB-PQKJENKHSA-N 2 0 459.538 -0.577 20 0 JBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001158602480 1069310629 /nfs/dbraw/zinc/31/06/29/1069310629.db2.gz NAMXEEWORFIXSE-KXBFYZLASA-N 2 0 466.546 -0.051 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001158602506 1069310410 /nfs/dbraw/zinc/31/04/10/1069310410.db2.gz NLQOLXIGHYNBGC-KXBFYZLASA-N 2 0 493.572 -0.168 20 0 JBADRP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]2c2ccccc2)C1=O ZINC001158626515 1069310483 /nfs/dbraw/zinc/31/04/83/1069310483.db2.gz QVORFBGLFNHHII-BPYKYCOYSA-N 2 0 470.618 -0.330 20 0 JBADRP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]2c2ccccc2)C1=O ZINC001158626516 1069310600 /nfs/dbraw/zinc/31/06/00/1069310600.db2.gz QVORFBGLFNHHII-STWLZBDKSA-N 2 0 470.618 -0.330 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001158629372 1069310924 /nfs/dbraw/zinc/31/09/24/1069310924.db2.gz GDKCODDDQZVFKZ-FQEVSTJZSA-N 2 0 475.594 -0.398 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001158629374 1069311200 /nfs/dbraw/zinc/31/12/00/1069311200.db2.gz GDKCODDDQZVFKZ-HXUWFJFHSA-N 2 0 475.594 -0.398 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158657337 1069312483 /nfs/dbraw/zinc/31/24/83/1069312483.db2.gz CBMDOMZOTPUASH-HKUYNNGSSA-N 2 0 481.513 -0.604 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658902 1069312202 /nfs/dbraw/zinc/31/22/02/1069312202.db2.gz MOKSPLUSAWAWKQ-BBRMVZONSA-N 2 0 456.507 -0.902 20 0 JBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158660504 1069312102 /nfs/dbraw/zinc/31/21/02/1069312102.db2.gz SVHKMIYHSOYDIC-HNNXBMFYSA-N 2 0 451.491 -0.029 20 0 JBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680369 1069312617 /nfs/dbraw/zinc/31/26/17/1069312617.db2.gz FBYUDWGGAGZVCC-OKZBNKHCSA-N 2 0 466.608 -0.405 20 0 JBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680810 1069313255 /nfs/dbraw/zinc/31/32/55/1069313255.db2.gz GYXDGZMTYILKAY-OKZBNKHCSA-N 2 0 476.603 -0.590 20 0 JBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680811 1069312911 /nfs/dbraw/zinc/31/29/11/1069312911.db2.gz GYXDGZMTYILKAY-RCCFBDPRSA-N 2 0 476.603 -0.590 20 0 JBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683713 1069314148 /nfs/dbraw/zinc/31/41/48/1069314148.db2.gz XMFYLJDQNQXECX-YESZJQIVSA-N 2 0 452.581 -0.747 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694761 1069315437 /nfs/dbraw/zinc/31/54/37/1069315437.db2.gz WJHYEOYNWAVKRS-YESZJQIVSA-N 2 0 452.581 -0.618 20 0 JBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001158734504 1069316467 /nfs/dbraw/zinc/31/64/67/1069316467.db2.gz APYISRYPQBJRFS-KRWDZBQOSA-N 2 0 474.543 -0.224 20 0 JBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735089 1069315832 /nfs/dbraw/zinc/31/58/32/1069315832.db2.gz MYMRKCHFNCLPMX-KBPBESRZSA-N 2 0 493.677 -0.073 20 0 JBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001158735110 1069315915 /nfs/dbraw/zinc/31/59/15/1069315915.db2.gz NNXCSSVKEXTDHH-UHFFFAOYSA-N 2 0 497.599 -0.047 20 0 JBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158735130 1069316225 /nfs/dbraw/zinc/31/62/25/1069316225.db2.gz ONOSMVTXLPYSOI-HOCLYGCPSA-N 3 0 456.569 -0.944 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735474 1069316437 /nfs/dbraw/zinc/31/64/37/1069316437.db2.gz UJQYMONYRRIDCA-HOTGVXAUSA-N 2 0 498.606 -0.992 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747624 1069316627 /nfs/dbraw/zinc/31/66/27/1069316627.db2.gz DWSKMBJQXPWRLJ-SLHNCBLASA-N 2 0 465.595 -0.291 20 0 JBADRP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158748330 1069316771 /nfs/dbraw/zinc/31/67/71/1069316771.db2.gz WFZUOPVJCYHNLO-WMZOPIPTSA-N 2 0 464.567 -0.389 20 0 JBADRP CC(C)N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ncnc2c1CC[NH2+]CC2 ZINC001158758554 1069316827 /nfs/dbraw/zinc/31/68/27/1069316827.db2.gz AWQPVVQRBZIDDH-ICSRJNTNSA-N 2 0 456.547 -0.341 20 0 JBADRP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158811576 1069317226 /nfs/dbraw/zinc/31/72/26/1069317226.db2.gz XGCWVKWVDDEUAY-BZSNNMDCSA-N 2 0 453.584 -0.654 20 0 JBADRP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158811577 1069317474 /nfs/dbraw/zinc/31/74/74/1069317474.db2.gz XGCWVKWVDDEUAY-SQNIBIBYSA-N 2 0 453.584 -0.654 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001158832499 1069318439 /nfs/dbraw/zinc/31/84/39/1069318439.db2.gz IIROAFOKSVBSER-BHYGNILZSA-N 2 0 465.576 -0.557 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001158832500 1069318542 /nfs/dbraw/zinc/31/85/42/1069318542.db2.gz IIROAFOKSVBSER-XIRDDKMYSA-N 2 0 465.576 -0.557 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)C(N)=O ZINC001158833869 1069318723 /nfs/dbraw/zinc/31/87/23/1069318723.db2.gz OHBCVHTWCXAGIH-CGTJXYLNSA-N 2 0 479.603 -0.166 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)C(N)=O ZINC001158833872 1069318607 /nfs/dbraw/zinc/31/86/07/1069318607.db2.gz OHBCVHTWCXAGIH-JQHSSLGASA-N 2 0 479.603 -0.166 20 0 JBADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001158856318 1069318480 /nfs/dbraw/zinc/31/84/80/1069318480.db2.gz MEDMXLHCKZDLFU-RXVVDRJESA-N 2 0 458.563 -0.113 20 0 JBADRP CC(C)N(C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871381 1069319400 /nfs/dbraw/zinc/31/94/00/1069319400.db2.gz OQCJDCHQPQEFIY-GOSISDBHSA-N 2 0 471.606 -0.141 20 0 JBADRP CC(C)N(C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871383 1069319337 /nfs/dbraw/zinc/31/93/37/1069319337.db2.gz OQCJDCHQPQEFIY-SFHVURJKSA-N 2 0 471.606 -0.141 20 0 JBADRP CC(C)N(C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872106 1069319468 /nfs/dbraw/zinc/31/94/68/1069319468.db2.gz YYQAHAMDUKMLNN-KRWDZBQOSA-N 2 0 478.619 -0.481 20 0 JBADRP CC(C)N(C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872107 1069319219 /nfs/dbraw/zinc/31/92/19/1069319219.db2.gz YYQAHAMDUKMLNN-QGZVFWFLSA-N 2 0 478.619 -0.481 20 0 JBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001158882498 1069319191 /nfs/dbraw/zinc/31/91/91/1069319191.db2.gz BOOQXXRXEYZJHC-KRWDZBQOSA-N 2 0 465.624 -0.103 20 0 JBADRP CC(C)N(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883539 1069319268 /nfs/dbraw/zinc/31/92/68/1069319268.db2.gz IKRHBLLCZNQDJF-IBGZPJMESA-N 3 0 460.627 -0.507 20 0 JBADRP CC(C)N(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883545 1069319435 /nfs/dbraw/zinc/31/94/35/1069319435.db2.gz IKRHBLLCZNQDJF-LJQANCHMSA-N 3 0 460.627 -0.507 20 0 JBADRP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158885049 1069319837 /nfs/dbraw/zinc/31/98/37/1069319837.db2.gz RRAKJRZMFVWQKW-HOJAQTOUSA-N 2 0 489.621 -0.020 20 0 JBADRP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158885052 1069320123 /nfs/dbraw/zinc/32/01/23/1069320123.db2.gz RRAKJRZMFVWQKW-IHPCNDPISA-N 2 0 489.621 -0.020 20 0 JBADRP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885239 1069319705 /nfs/dbraw/zinc/31/97/05/1069319705.db2.gz TWDSRPUKAGLNSL-HKUYNNGSSA-N 2 0 460.579 -0.014 20 0 JBADRP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885240 1069320009 /nfs/dbraw/zinc/32/00/09/1069320009.db2.gz TWDSRPUKAGLNSL-IEBWSBKVSA-N 2 0 460.579 -0.014 20 0 JBADRP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885241 1069320188 /nfs/dbraw/zinc/32/01/88/1069320188.db2.gz TWDSRPUKAGLNSL-MJGOQNOKSA-N 2 0 460.579 -0.014 20 0 JBADRP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885242 1069320073 /nfs/dbraw/zinc/32/00/73/1069320073.db2.gz TWDSRPUKAGLNSL-PKOBYXMFSA-N 2 0 460.579 -0.014 20 0 JBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001158890645 1069319964 /nfs/dbraw/zinc/31/99/64/1069319964.db2.gz JNNOTCPYBPMRRU-OALUTQOASA-N 2 0 478.638 -0.412 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158902348 1069320484 /nfs/dbraw/zinc/32/04/84/1069320484.db2.gz JKXAJVRLWAXCHC-BYMXYVBLSA-N 2 0 487.532 -0.173 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158902358 1069320693 /nfs/dbraw/zinc/32/06/93/1069320693.db2.gz JKXAJVRLWAXCHC-JLPWOHBFSA-N 2 0 487.532 -0.173 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158902361 1069320998 /nfs/dbraw/zinc/32/09/98/1069320998.db2.gz JKXAJVRLWAXCHC-UBPTVHNVSA-N 2 0 487.532 -0.173 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158902364 1069320639 /nfs/dbraw/zinc/32/06/39/1069320639.db2.gz JKXAJVRLWAXCHC-VUYBDXIFSA-N 2 0 487.532 -0.173 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904430 1069320609 /nfs/dbraw/zinc/32/06/09/1069320609.db2.gz SVGWGVOQKFCEHH-FWVWUXMJSA-N 2 0 462.526 -0.471 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904434 1069320755 /nfs/dbraw/zinc/32/07/55/1069320755.db2.gz SVGWGVOQKFCEHH-JWUHVGAXSA-N 2 0 462.526 -0.471 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904436 1069320880 /nfs/dbraw/zinc/32/08/80/1069320880.db2.gz SVGWGVOQKFCEHH-RYUMIWLPSA-N 2 0 462.526 -0.471 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904438 1069320974 /nfs/dbraw/zinc/32/09/74/1069320974.db2.gz SVGWGVOQKFCEHH-XVIDLNRXSA-N 2 0 462.526 -0.471 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(n1)CC[NH2+]C3)c(N)nc2=O ZINC001158981002 1069323113 /nfs/dbraw/zinc/32/31/13/1069323113.db2.gz YZBXBKZXZJJWJY-INIZCTEOSA-N 2 0 456.507 -0.294 20 0 JBADRP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001158991365 1069324879 /nfs/dbraw/zinc/32/48/79/1069324879.db2.gz MFEWKEPIUHYLRD-NEWSRXKRSA-N 2 0 463.583 -0.949 20 0 JBADRP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001158991367 1069324690 /nfs/dbraw/zinc/32/46/90/1069324690.db2.gz MFEWKEPIUHYLRD-WDSOQIARSA-N 2 0 463.583 -0.949 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159037783 1069325536 /nfs/dbraw/zinc/32/55/36/1069325536.db2.gz PEQJZOKNUKYEDA-HKUYNNGSSA-N 2 0 461.563 -0.073 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159071942 1069326047 /nfs/dbraw/zinc/32/60/47/1069326047.db2.gz LXSURVZTCKPGAU-GFEQUFNTSA-N 2 0 473.578 -0.417 20 0 JBADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC2 ZINC001159074706 1069327270 /nfs/dbraw/zinc/32/72/70/1069327270.db2.gz JASMXJVLDXXLCS-HNNXBMFYSA-N 2 0 487.527 -0.132 20 0 JBADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001159075898 1069326683 /nfs/dbraw/zinc/32/66/83/1069326683.db2.gz QALGUPXTKFKBHV-IBGZPJMESA-N 2 0 467.574 -0.621 20 0 JBADRP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077622 1069327499 /nfs/dbraw/zinc/32/74/99/1069327499.db2.gz RRYIBCBTKOHZBQ-GKAYAJSDSA-N 2 0 467.611 -0.311 20 0 JBADRP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077624 1069327844 /nfs/dbraw/zinc/32/78/44/1069327844.db2.gz RRYIBCBTKOHZBQ-KEXUJGGDSA-N 2 0 467.611 -0.311 20 0 JBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077627 1069328184 /nfs/dbraw/zinc/32/81/84/1069328184.db2.gz RRYIBCBTKOHZBQ-KGYLXKDPSA-N 2 0 467.611 -0.311 20 0 JBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077629 1069327716 /nfs/dbraw/zinc/32/77/16/1069327716.db2.gz RRYIBCBTKOHZBQ-XQQXVUDOSA-N 2 0 467.611 -0.311 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159090989 1069328470 /nfs/dbraw/zinc/32/84/70/1069328470.db2.gz JQINTLUXFMISKH-QEUVDIPISA-N 2 0 450.580 -0.163 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159090990 1069328541 /nfs/dbraw/zinc/32/85/41/1069328541.db2.gz JQINTLUXFMISKH-YOUFYPILSA-N 2 0 450.580 -0.163 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159091555 1069328712 /nfs/dbraw/zinc/32/87/12/1069328712.db2.gz QRXAXALQTWNNJD-YIUJWAEMSA-N 2 0 479.622 -0.169 20 0 JBADRP CC(C)n1nc(CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c2nccs2)c2c1C[NH2+]CC2 ZINC001159109431 1069328387 /nfs/dbraw/zinc/32/83/87/1069328387.db2.gz VRMATSVKJVVDTK-JSGCOSHPSA-N 2 0 462.580 -0.193 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159115440 1069328611 /nfs/dbraw/zinc/32/86/11/1069328611.db2.gz BZYSGQYFAFVMCL-HKUYNNGSSA-N 2 0 469.594 -0.104 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159115441 1069328854 /nfs/dbraw/zinc/32/88/54/1069328854.db2.gz BZYSGQYFAFVMCL-IEBWSBKVSA-N 2 0 469.594 -0.104 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159115442 1069328785 /nfs/dbraw/zinc/32/87/85/1069328785.db2.gz BZYSGQYFAFVMCL-MJGOQNOKSA-N 2 0 469.594 -0.104 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159115443 1069329458 /nfs/dbraw/zinc/32/94/58/1069329458.db2.gz BZYSGQYFAFVMCL-PKOBYXMFSA-N 2 0 469.594 -0.104 20 0 JBADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159116552 1069329511 /nfs/dbraw/zinc/32/95/11/1069329511.db2.gz PBTFBEISKKGJET-UHOSZYNNSA-N 2 0 460.579 -0.382 20 0 JBADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159116554 1069329011 /nfs/dbraw/zinc/32/90/11/1069329011.db2.gz PBTFBEISKKGJET-WDSOQIARSA-N 2 0 460.579 -0.382 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159118127 1069329157 /nfs/dbraw/zinc/32/91/57/1069329157.db2.gz XQBXCZHVLCRBHS-FXAWDEMLSA-N 2 0 485.593 -0.319 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001159118143 1069329248 /nfs/dbraw/zinc/32/92/48/1069329248.db2.gz XQBXCZHVLCRBHS-PXNSSMCTSA-N 2 0 485.593 -0.319 20 0 JBADRP Cn1nnc2c1CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123243 1069329326 /nfs/dbraw/zinc/32/93/26/1069329326.db2.gz FKZFGKCJJUSRKV-FUHWJXTLSA-N 2 0 465.599 -0.388 20 0 JBADRP Cn1nnc2c1CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001159123244 1069329425 /nfs/dbraw/zinc/32/94/25/1069329425.db2.gz FKZFGKCJJUSRKV-WMZOPIPTSA-N 2 0 465.599 -0.388 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]2COCC[NH+]1CCCC1 ZINC001159123379 1069329570 /nfs/dbraw/zinc/32/95/70/1069329570.db2.gz IONVODZIHPZIBC-JBACZVJFSA-N 3 0 490.653 -0.199 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]2COCC[NH+]1CCCC1 ZINC001159123380 1069329790 /nfs/dbraw/zinc/32/97/90/1069329790.db2.gz IONVODZIHPZIBC-SESVDKBCSA-N 3 0 490.653 -0.199 20 0 JBADRP Cn1nnc2c1CCN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001159123503 1069329143 /nfs/dbraw/zinc/32/91/43/1069329143.db2.gz IWQKCFSFNDIXRM-IBGZPJMESA-N 2 0 455.567 -0.133 20 0 JBADRP Cn1nnc2c1CCN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123504 1069329128 /nfs/dbraw/zinc/32/91/28/1069329128.db2.gz IWQKCFSFNDIXRM-LJQANCHMSA-N 2 0 455.567 -0.133 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124266 1069330104 /nfs/dbraw/zinc/33/01/04/1069330104.db2.gz NGMKMTJDQVFSSN-HKUYNNGSSA-N 2 0 480.635 -0.232 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124269 1069330659 /nfs/dbraw/zinc/33/06/59/1069330659.db2.gz NGMKMTJDQVFSSN-IEBWSBKVSA-N 2 0 480.635 -0.232 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124272 1069329965 /nfs/dbraw/zinc/32/99/65/1069329965.db2.gz NGMKMTJDQVFSSN-MJGOQNOKSA-N 2 0 480.635 -0.232 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124274 1069330425 /nfs/dbraw/zinc/33/04/25/1069330425.db2.gz NGMKMTJDQVFSSN-PKOBYXMFSA-N 2 0 480.635 -0.232 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124680 1069330072 /nfs/dbraw/zinc/33/00/72/1069330072.db2.gz PRJJPBSEBKBIEF-DOTOQJQBSA-N 2 0 452.581 -0.870 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124681 1069330437 /nfs/dbraw/zinc/33/04/37/1069330437.db2.gz PRJJPBSEBKBIEF-NVXWUHKLSA-N 2 0 452.581 -0.870 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124682 1069330563 /nfs/dbraw/zinc/33/05/63/1069330563.db2.gz PRJJPBSEBKBIEF-RDJZCZTQSA-N 2 0 452.581 -0.870 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124683 1069330235 /nfs/dbraw/zinc/33/02/35/1069330235.db2.gz PRJJPBSEBKBIEF-WBVHZDCISA-N 2 0 452.581 -0.870 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125364 1069330676 /nfs/dbraw/zinc/33/06/76/1069330676.db2.gz VNGLYNRCAXCFPD-PMACEKPBSA-N 3 0 461.611 -0.194 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125365 1069330122 /nfs/dbraw/zinc/33/01/22/1069330122.db2.gz VNGLYNRCAXCFPD-UXHICEINSA-N 3 0 461.611 -0.194 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125366 1069330029 /nfs/dbraw/zinc/33/00/29/1069330029.db2.gz VNGLYNRCAXCFPD-VQTJNVASSA-N 3 0 461.611 -0.194 20 0 JBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125367 1069330524 /nfs/dbraw/zinc/33/05/24/1069330524.db2.gz VNGLYNRCAXCFPD-WOJBJXKFSA-N 3 0 461.611 -0.194 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)COC1(C)C ZINC001159125694 1069331218 /nfs/dbraw/zinc/33/12/18/1069331218.db2.gz YBWRDQAFRWHSGK-JQHSSLGASA-N 2 0 463.583 -0.336 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)COC1(C)C ZINC001159125695 1069331438 /nfs/dbraw/zinc/33/14/38/1069331438.db2.gz YBWRDQAFRWHSGK-SZMVWBNQSA-N 2 0 463.583 -0.336 20 0 JBADRP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001159128430 1069330996 /nfs/dbraw/zinc/33/09/96/1069330996.db2.gz ZQQVEYQDFYMTFY-SFYKDHMMSA-N 2 0 466.627 -0.879 20 0 JBADRP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001159128431 1069331608 /nfs/dbraw/zinc/33/16/08/1069331608.db2.gz ZQQVEYQDFYMTFY-YDHSSHFGSA-N 2 0 466.627 -0.879 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159134865 1069330978 /nfs/dbraw/zinc/33/09/78/1069330978.db2.gz QCBOMLGNWTWCNC-FHWLQOOXSA-N 2 0 461.611 -0.198 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159134869 1069332560 /nfs/dbraw/zinc/33/25/60/1069332560.db2.gz QCBOMLGNWTWCNC-QYZOEREBSA-N 2 0 461.611 -0.198 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1)C(=O)CF ZINC001159135700 1069332043 /nfs/dbraw/zinc/33/20/43/1069332043.db2.gz XUOOJFUPILGCLT-DLRJPAPCSA-N 2 0 495.600 -0.695 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1)C(=O)CF ZINC001159135701 1069332250 /nfs/dbraw/zinc/33/22/50/1069332250.db2.gz XUOOJFUPILGCLT-IAGYGMIVSA-N 2 0 495.600 -0.695 20 0 JBADRP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])O1 ZINC001159136309 1069332318 /nfs/dbraw/zinc/33/23/18/1069332318.db2.gz SYMPTPWMSKFUMZ-UJMXGEILSA-N 2 0 467.611 -0.313 20 0 JBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159157904 1069332520 /nfs/dbraw/zinc/33/25/20/1069332520.db2.gz KDZSTWKMSRJJGL-FYQPLNBISA-N 2 0 466.594 -0.083 20 0 JBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159157916 1069332098 /nfs/dbraw/zinc/33/20/98/1069332098.db2.gz KDZSTWKMSRJJGL-WCIQWLHISA-N 2 0 466.594 -0.083 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158971 1069332213 /nfs/dbraw/zinc/33/22/13/1069332213.db2.gz VZOYXYYHQHMOOL-SFTDATJTSA-N 2 0 470.574 -0.384 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)C(N)=O ZINC001159165888 1069332397 /nfs/dbraw/zinc/33/23/97/1069332397.db2.gz FFMYPHDYIAGJFL-YYTXDEJISA-N 2 0 460.583 -0.923 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159167164 1069331946 /nfs/dbraw/zinc/33/19/46/1069331946.db2.gz VQACZUKFFHTXBE-WTNASJBWSA-N 2 0 486.621 -0.566 20 0 JBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159180543 1069333019 /nfs/dbraw/zinc/33/30/19/1069333019.db2.gz DWLCXDYVDJIHDT-COFNMNJVSA-N 2 0 459.591 -0.017 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159181182 1069333367 /nfs/dbraw/zinc/33/33/67/1069333367.db2.gz JQNJFPFGWPCXMD-DFSVQXFESA-N 2 0 486.617 -0.134 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182890 1069333980 /nfs/dbraw/zinc/33/39/80/1069333980.db2.gz WFLIKDZHDMPZSD-FDDCHVKYSA-N 2 0 497.662 -0.828 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182891 1069334342 /nfs/dbraw/zinc/33/43/42/1069334342.db2.gz WFLIKDZHDMPZSD-JPYJTQIMSA-N 2 0 497.662 -0.828 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182892 1069334376 /nfs/dbraw/zinc/33/43/76/1069334376.db2.gz WFLIKDZHDMPZSD-MBSDFSHPSA-N 2 0 497.662 -0.828 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[N@H+](C)CC4(CC[NH2+]CC4)O2)CC3)C1=O ZINC001159182893 1069334123 /nfs/dbraw/zinc/33/41/23/1069334123.db2.gz WFLIKDZHDMPZSD-WZONZLPQSA-N 2 0 497.662 -0.828 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CC[NH2+]CC4)[NH2+]2)CC3)C1=O ZINC001159183180 1069334677 /nfs/dbraw/zinc/33/46/77/1069334677.db2.gz ZPXHNKGQXOBWGP-HTAPYJJXSA-N 2 0 467.636 -0.407 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CC[NH2+]CC4)[NH2+]2)CC3)C1=O ZINC001159183182 1069334920 /nfs/dbraw/zinc/33/49/20/1069334920.db2.gz ZPXHNKGQXOBWGP-JTSKRJEESA-N 2 0 467.636 -0.407 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CC[NH2+]CC4)[NH2+]2)CC3)C1=O ZINC001159183185 1069334961 /nfs/dbraw/zinc/33/49/61/1069334961.db2.gz ZPXHNKGQXOBWGP-VGOFRKELSA-N 2 0 467.636 -0.407 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CC[NH2+]CC4)[NH2+]2)CC3)C1=O ZINC001159183188 1069334887 /nfs/dbraw/zinc/33/48/87/1069334887.db2.gz ZPXHNKGQXOBWGP-VGSWGCGISA-N 2 0 467.636 -0.407 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC3)C1=O ZINC001159190547 1069336251 /nfs/dbraw/zinc/33/62/51/1069336251.db2.gz LBVWOIQPJMCEKB-LAUBAEHRSA-N 2 0 457.641 -0.222 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC3)C1=O ZINC001159190554 1069336156 /nfs/dbraw/zinc/33/61/56/1069336156.db2.gz LBVWOIQPJMCEKB-UWJYYQICSA-N 2 0 457.641 -0.222 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001159190738 1069335867 /nfs/dbraw/zinc/33/58/67/1069335867.db2.gz LPSWJWHVBUIKGV-HNNXBMFYSA-N 2 0 458.523 -0.822 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001159191097 1069336906 /nfs/dbraw/zinc/33/69/06/1069336906.db2.gz BPDWJWHYZFROHR-GOSISDBHSA-N 2 0 468.518 -0.132 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001159191098 1069336644 /nfs/dbraw/zinc/33/66/44/1069336644.db2.gz BPDWJWHYZFROHR-SFHVURJKSA-N 2 0 468.518 -0.132 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159191229 1069336697 /nfs/dbraw/zinc/33/66/97/1069336697.db2.gz SNNSLDGFUISWTA-IRXDYDNUSA-N 3 0 463.583 -0.702 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159191706 1069337589 /nfs/dbraw/zinc/33/75/89/1069337589.db2.gz WZQLWUAUWGOOTR-HNNXBMFYSA-N 2 0 453.565 -0.735 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159191708 1069337454 /nfs/dbraw/zinc/33/74/54/1069337454.db2.gz WZQLWUAUWGOOTR-OAHLLOKOSA-N 2 0 453.565 -0.735 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001159191888 1069337931 /nfs/dbraw/zinc/33/79/31/1069337931.db2.gz JVFWTNJFTPTADR-IRXDYDNUSA-N 2 0 478.594 -0.016 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001159191914 1069337781 /nfs/dbraw/zinc/33/77/81/1069337781.db2.gz ZTKBFRPITAXDPS-HJPURHCSSA-N 2 0 452.515 -0.040 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001159191916 1069337961 /nfs/dbraw/zinc/33/79/61/1069337961.db2.gz ZTKBFRPITAXDPS-MWTRTKDXSA-N 2 0 452.515 -0.040 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001159191917 1069337852 /nfs/dbraw/zinc/33/78/52/1069337852.db2.gz ZTKBFRPITAXDPS-QMHKHESXSA-N 2 0 452.515 -0.040 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001159191919 1069337742 /nfs/dbraw/zinc/33/77/42/1069337742.db2.gz ZTKBFRPITAXDPS-WAIKUNEKSA-N 2 0 452.515 -0.040 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001159192100 1069337837 /nfs/dbraw/zinc/33/78/37/1069337837.db2.gz MYMQXSQYKIBLOM-AEFFLSMTSA-N 2 0 452.515 -0.037 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001159192103 1069337762 /nfs/dbraw/zinc/33/77/62/1069337762.db2.gz MYMQXSQYKIBLOM-FUHWJXTLSA-N 2 0 452.515 -0.037 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001159192105 1069337869 /nfs/dbraw/zinc/33/78/69/1069337869.db2.gz MYMQXSQYKIBLOM-SJLPKXTDSA-N 2 0 452.515 -0.037 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001159192108 1069337885 /nfs/dbraw/zinc/33/78/85/1069337885.db2.gz MYMQXSQYKIBLOM-WMZOPIPTSA-N 2 0 452.515 -0.037 20 0 JBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001159204511 1069338240 /nfs/dbraw/zinc/33/82/40/1069338240.db2.gz XUIXHTUKSTVPRM-VPAKFMSCSA-N 2 0 452.600 -0.432 20 0 JBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159210514 1069338854 /nfs/dbraw/zinc/33/88/54/1069338854.db2.gz RIIURAMLTULSQS-MOXQZVSFSA-N 2 0 458.607 -0.256 20 0 JBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159210519 1069338766 /nfs/dbraw/zinc/33/87/66/1069338766.db2.gz RIIURAMLTULSQS-YHDSQAASSA-N 2 0 458.607 -0.256 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235245 1069339440 /nfs/dbraw/zinc/33/94/40/1069339440.db2.gz UPKAGDIZKHBSJU-SFTDATJTSA-N 2 0 493.568 -0.290 20 0 JBADRP Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001159267311 1069339535 /nfs/dbraw/zinc/33/95/35/1069339535.db2.gz IVMFGZAEGVNPOK-GCGJSEPQSA-N 2 0 474.606 -0.039 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159272232 1069339262 /nfs/dbraw/zinc/33/92/62/1069339262.db2.gz KVSYKDREJBCABW-IRXDYDNUSA-N 2 0 472.550 -0.409 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)C(=O)CF ZINC001159291376 1069340034 /nfs/dbraw/zinc/34/00/34/1069340034.db2.gz OCIBUSOBNWJCNG-KNBMTAEXSA-N 2 0 467.586 -0.168 20 0 JBADRP CO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317095 1069340884 /nfs/dbraw/zinc/34/08/84/1069340884.db2.gz QBYGDVOVHUXFBM-ZROJVYTPSA-N 2 0 497.596 -0.118 20 0 JBADRP CO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317511 1069340788 /nfs/dbraw/zinc/34/07/88/1069340788.db2.gz WIUQOEAWKGKBAL-OFOKGCAXSA-N 2 0 472.590 -0.416 20 0 JBADRP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159327586 1069341012 /nfs/dbraw/zinc/34/10/12/1069341012.db2.gz AFHTUBMBPGJTHN-IBGZPJMESA-N 2 0 455.563 -0.054 20 0 JBADRP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159327589 1069340608 /nfs/dbraw/zinc/34/06/08/1069340608.db2.gz AFHTUBMBPGJTHN-LJQANCHMSA-N 2 0 455.563 -0.054 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)COC1(C)C ZINC001159393263 1069341619 /nfs/dbraw/zinc/34/16/19/1069341619.db2.gz AVPPCAUHQGYUDF-OSMBCOQSSA-N 2 0 492.602 -0.872 20 0 JBADRP O=C(c1nc2c(s1)C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393340 1069341562 /nfs/dbraw/zinc/34/15/62/1069341562.db2.gz BYIMPNVIFOFQJQ-XJKSGUPXSA-N 2 0 460.585 -0.032 20 0 JBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393354 1069341471 /nfs/dbraw/zinc/34/14/71/1069341471.db2.gz CQVFYNYVLXWVDV-OSMBCOQSSA-N 2 0 462.576 -0.844 20 0 JBADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393370 1069341607 /nfs/dbraw/zinc/34/16/07/1069341607.db2.gz DFSMXCCLUHWQIJ-FUHWJXTLSA-N 2 0 484.586 -0.934 20 0 JBADRP N[C@@H](C[NH3+])c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159393384 1069341972 /nfs/dbraw/zinc/34/19/72/1069341972.db2.gz DQXVPXWZTZININ-GBESFXJTSA-N 2 0 456.572 -0.175 20 0 JBADRP N[C@H](C[NH3+])c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159393385 1069342197 /nfs/dbraw/zinc/34/21/97/1069342197.db2.gz DQXVPXWZTZININ-IPMKNSEASA-N 2 0 456.572 -0.175 20 0 JBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393584 1069342289 /nfs/dbraw/zinc/34/22/89/1069342289.db2.gz FEWITMHBZTYZOM-SLFFLAALSA-N 2 0 498.609 -0.496 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393620 1069342018 /nfs/dbraw/zinc/34/20/18/1069342018.db2.gz FZNJHSUTVDUXNA-YESZJQIVSA-N 2 0 464.592 -0.693 20 0 JBADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393624 1069342083 /nfs/dbraw/zinc/34/20/83/1069342083.db2.gz GDCUEPPTMOHDRK-FHLIZLRMSA-N 2 0 457.560 -0.566 20 0 JBADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393625 1069342407 /nfs/dbraw/zinc/34/24/07/1069342407.db2.gz GDCUEPPTMOHDRK-JCGIZDLHSA-N 2 0 457.560 -0.566 20 0 JBADRP O=C(c1cncc2c1CC[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393626 1069342338 /nfs/dbraw/zinc/34/23/38/1069342338.db2.gz GEBLUTQVLHDGKU-RBUKOAKNSA-N 2 0 454.556 -0.093 20 0 JBADRP O=C(c1cccnc1N1CC[NH2+]CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393654 1069342181 /nfs/dbraw/zinc/34/21/81/1069342181.db2.gz HACRHVFVSNLXEM-RBUKOAKNSA-N 2 0 483.598 -0.329 20 0 JBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393681 1069342045 /nfs/dbraw/zinc/34/20/45/1069342045.db2.gz HRPXPLSXGYUFNC-DOTOQJQBSA-N 2 0 489.627 -0.268 20 0 JBADRP O=C([C@@H]1CC2(CO1)CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393684 1069342391 /nfs/dbraw/zinc/34/23/91/1069342391.db2.gz IDYOAGPSYPQNAF-OKZBNKHCSA-N 2 0 461.588 -0.024 20 0 JBADRP O=C([C@H]1CC2(CO1)CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393685 1069342062 /nfs/dbraw/zinc/34/20/62/1069342062.db2.gz IDYOAGPSYPQNAF-RCCFBDPRSA-N 2 0 461.588 -0.024 20 0 JBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394252 1069342133 /nfs/dbraw/zinc/34/21/33/1069342133.db2.gz MLLCGFFXYFDPBY-OKZBNKHCSA-N 2 0 464.592 -0.549 20 0 JBADRP O=C([C@H]1CC[C@@]2(C1)C[NH2+]CCO2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394260 1069342163 /nfs/dbraw/zinc/34/21/63/1069342163.db2.gz MMYPEOJOCZLAPQ-CTWQGKMFSA-N 2 0 461.588 -0.024 20 0 JBADRP O=C([C@H]1CC[C@]2(C1)C[NH2+]CCO2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394261 1069342373 /nfs/dbraw/zinc/34/23/73/1069342373.db2.gz MMYPEOJOCZLAPQ-FCQWJQKHSA-N 2 0 461.588 -0.024 20 0 JBADRP O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394263 1069342662 /nfs/dbraw/zinc/34/26/62/1069342662.db2.gz MMYPEOJOCZLAPQ-OQYZPLRDSA-N 2 0 461.588 -0.024 20 0 JBADRP O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394264 1069342645 /nfs/dbraw/zinc/34/26/45/1069342645.db2.gz MMYPEOJOCZLAPQ-WHEACTPUSA-N 2 0 461.588 -0.024 20 0 JBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394467 1069342997 /nfs/dbraw/zinc/34/29/97/1069342997.db2.gz NUZXIIXYLOPCEZ-YESZJQIVSA-N 2 0 494.618 -0.924 20 0 JBADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001159394610 1069342820 /nfs/dbraw/zinc/34/28/20/1069342820.db2.gz OXAGBXUNDVUKEJ-KCXPTXFHSA-N 2 0 461.588 -0.024 20 0 JBADRP O=C(c1ccc2c(n1)CC[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394614 1069343028 /nfs/dbraw/zinc/34/30/28/1069343028.db2.gz OYQOTXIMWBBQSF-QFBILLFUSA-N 2 0 454.556 -0.093 20 0 JBADRP O=C(c1cnc2n1CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394694 1069342965 /nfs/dbraw/zinc/34/29/65/1069342965.db2.gz PQIJGFUFRPANPT-DOTOQJQBSA-N 2 0 457.560 -0.792 20 0 JBADRP [NH3+]C1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCC2(CC1)OCCO2 ZINC001159394845 1069342614 /nfs/dbraw/zinc/34/26/14/1069342614.db2.gz RSJMZOFCMAHWDQ-DLBZAZTESA-N 2 0 477.587 -0.168 20 0 JBADRP O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394860 1069342754 /nfs/dbraw/zinc/34/27/54/1069342754.db2.gz SDHKTMMJMJBBRC-HSALFYBXSA-N 2 0 474.631 -0.108 20 0 JBADRP O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394861 1069342892 /nfs/dbraw/zinc/34/28/92/1069342892.db2.gz SDHKTMMJMJBBRC-SLFFLAALSA-N 2 0 474.631 -0.108 20 0 JBADRP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394892 1069342846 /nfs/dbraw/zinc/34/28/46/1069342846.db2.gz SOZSECCKUDQTAP-OKZBNKHCSA-N 2 0 498.613 -0.640 20 0 JBADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394894 1069342676 /nfs/dbraw/zinc/34/26/76/1069342676.db2.gz SOZSECCKUDQTAP-RCCFBDPRSA-N 2 0 498.613 -0.640 20 0 JBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394924 1069343063 /nfs/dbraw/zinc/34/30/63/1069343063.db2.gz SRTFMCQUGUWXBK-OKZBNKHCSA-N 3 0 460.604 -0.308 20 0 JBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394927 1069342861 /nfs/dbraw/zinc/34/28/61/1069342861.db2.gz SRTFMCQUGUWXBK-RCCFBDPRSA-N 3 0 460.604 -0.308 20 0 JBADRP CC(C)(C)N1CCN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394983 1069342694 /nfs/dbraw/zinc/34/26/94/1069342694.db2.gz TXKYUJJFQCVGFI-OKZBNKHCSA-N 2 0 462.620 -0.110 20 0 JBADRP CC(C)(C)N1CCN[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394985 1069343093 /nfs/dbraw/zinc/34/30/93/1069343093.db2.gz TXKYUJJFQCVGFI-RCCFBDPRSA-N 2 0 462.620 -0.110 20 0 JBADRP CN1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)OC2(CC[NH2+]CC2)C1 ZINC001159395020 1069342911 /nfs/dbraw/zinc/34/29/11/1069342911.db2.gz UJUGINRIWSVLRY-GBESFXJTSA-N 3 0 490.630 -0.729 20 0 JBADRP CN1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)OC2(CC[NH2+]CC2)C1 ZINC001159395023 1069342770 /nfs/dbraw/zinc/34/27/70/1069342770.db2.gz UJUGINRIWSVLRY-IPMKNSEASA-N 3 0 490.630 -0.729 20 0 JBADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395033 1069342983 /nfs/dbraw/zinc/34/29/83/1069342983.db2.gz ULQDFLWXSSRVLA-OKZBNKHCSA-N 2 0 461.588 -0.166 20 0 JBADRP O=C([C@H]1C[NH2+]CC12CCOCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395035 1069342682 /nfs/dbraw/zinc/34/26/82/1069342682.db2.gz ULQDFLWXSSRVLA-RCCFBDPRSA-N 2 0 461.588 -0.166 20 0 JBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395176 1069343393 /nfs/dbraw/zinc/34/33/93/1069343393.db2.gz UTKBCODRHMVBJK-BTHPGYMESA-N 2 0 474.631 -0.108 20 0 JBADRP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395177 1069343688 /nfs/dbraw/zinc/34/36/88/1069343688.db2.gz UTKBCODRHMVBJK-FRYIKTPZSA-N 2 0 474.631 -0.108 20 0 JBADRP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395178 1069343359 /nfs/dbraw/zinc/34/33/59/1069343359.db2.gz UTKBCODRHMVBJK-OJAHFUOMSA-N 2 0 474.631 -0.108 20 0 JBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395179 1069343548 /nfs/dbraw/zinc/34/35/48/1069343548.db2.gz UTKBCODRHMVBJK-RSPOEFSDSA-N 2 0 474.631 -0.108 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395195 1069343491 /nfs/dbraw/zinc/34/34/91/1069343491.db2.gz VCUWAMZXGRNCKC-PTOXDTDZSA-N 2 0 464.592 -0.693 20 0 JBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395220 1069343310 /nfs/dbraw/zinc/34/33/10/1069343310.db2.gz VHMLYVCIPBVYKP-GYFISPQKSA-N 2 0 461.588 -0.168 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395222 1069343613 /nfs/dbraw/zinc/34/36/13/1069343613.db2.gz VIHZANXTGSVJMP-OKZBNKHCSA-N 2 0 464.592 -0.549 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395256 1069343567 /nfs/dbraw/zinc/34/35/67/1069343567.db2.gz VRPAMFVXLKDWEX-XDKFSHSGSA-N 2 0 478.619 -0.304 20 0 JBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395296 1069343474 /nfs/dbraw/zinc/34/34/74/1069343474.db2.gz WMCIYANVFKIYHT-WCXIOVBPSA-N 2 0 463.560 -0.784 20 0 JBADRP [NH3+][C@H]1CCCCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1=O ZINC001159395311 1069343440 /nfs/dbraw/zinc/34/34/40/1069343440.db2.gz WTPVUZCFKTYRBL-YESZJQIVSA-N 2 0 462.576 -0.842 20 0 JBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159395341 1069343659 /nfs/dbraw/zinc/34/36/59/1069343659.db2.gz XALQJISQMZISJA-GBESFXJTSA-N 2 0 484.582 -0.513 20 0 JBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395816 1069343517 /nfs/dbraw/zinc/34/35/17/1069343517.db2.gz ZYZHHNLHEWWZOX-YESZJQIVSA-N 2 0 464.592 -0.693 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403629 1069344348 /nfs/dbraw/zinc/34/43/48/1069344348.db2.gz QQSMUQMDCRZNKF-RKFFNLMFSA-N 2 0 484.557 -0.813 20 0 JBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403633 1069344249 /nfs/dbraw/zinc/34/42/49/1069344249.db2.gz QUNNFIMNWSPQEG-LSTDLKDCSA-N 2 0 454.535 -0.238 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159404031 1069344136 /nfs/dbraw/zinc/34/41/36/1069344136.db2.gz VLDVZQGGBHHWEN-VYJAJWGXSA-N 3 0 459.595 -0.119 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC3)CC1 ZINC001159416963 1069344709 /nfs/dbraw/zinc/34/47/09/1069344709.db2.gz ITQLCLVYLAXZQF-PMACEKPBSA-N 3 0 460.627 -0.580 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2C[NH2+]CC24CCS(=O)(=O)CC4)CC3)CC1 ZINC001159417243 1069345077 /nfs/dbraw/zinc/34/50/77/1069345077.db2.gz NMZAAZAVDMYNBZ-GOSISDBHSA-N 2 0 450.609 -0.613 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[NH2+]CC24CCS(=O)(=O)CC4)CC3)CC1 ZINC001159417244 1069345027 /nfs/dbraw/zinc/34/50/27/1069345027.db2.gz NMZAAZAVDMYNBZ-SFHVURJKSA-N 2 0 450.609 -0.613 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)CC3)CC1 ZINC001159417665 1069344607 /nfs/dbraw/zinc/34/46/07/1069344607.db2.gz YZHXXYSPACRYHZ-SFHVURJKSA-N 2 0 455.567 -0.700 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2cnn4c2nccc4[C@@H]2C[NH2+]CCO2)CC3)CC1 ZINC001159424276 1069344531 /nfs/dbraw/zinc/34/45/31/1069344531.db2.gz IGDCHMJZTFWNRP-FQEVSTJZSA-N 2 0 465.562 -0.010 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2cnn4c2nccc4[C@H]2C[NH2+]CCO2)CC3)CC1 ZINC001159424277 1069344963 /nfs/dbraw/zinc/34/49/63/1069344963.db2.gz IGDCHMJZTFWNRP-HXUWFJFHSA-N 2 0 465.562 -0.010 20 0 JBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457712 1069347782 /nfs/dbraw/zinc/34/77/82/1069347782.db2.gz ISNKWIATKUTOKH-AKHDSKFASA-N 2 0 458.625 -0.398 20 0 JBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457713 1069348618 /nfs/dbraw/zinc/34/86/18/1069348618.db2.gz ISNKWIATKUTOKH-ZSYWTGECSA-N 2 0 458.625 -0.398 20 0 JBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159481020 1069350439 /nfs/dbraw/zinc/35/04/39/1069350439.db2.gz HFSYHQFHNPJWTQ-TVPUMLRDSA-N 2 0 474.602 -0.054 20 0 JBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CCC2 ZINC001159481857 1069350359 /nfs/dbraw/zinc/35/03/59/1069350359.db2.gz WWGPMFSGPGCETF-KRWDZBQOSA-N 2 0 455.567 -0.247 20 0 JBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CCC2 ZINC001159481860 1069350691 /nfs/dbraw/zinc/35/06/91/1069350691.db2.gz WWGPMFSGPGCETF-QGZVFWFLSA-N 2 0 455.567 -0.247 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159492826 1069351029 /nfs/dbraw/zinc/35/10/29/1069351029.db2.gz NWHNTPCQEVXSMA-HOJAQTOUSA-N 2 0 459.595 -0.089 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159492827 1069351334 /nfs/dbraw/zinc/35/13/34/1069351334.db2.gz NWHNTPCQEVXSMA-IHPCNDPISA-N 2 0 459.595 -0.089 20 0 JBADRP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1=O ZINC001159493962 1069351492 /nfs/dbraw/zinc/35/14/92/1069351492.db2.gz ZFZLZAYSBHKHRO-BSRJHKFKSA-N 2 0 464.611 -0.637 20 0 JBADRP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1=O ZINC001159493963 1069350982 /nfs/dbraw/zinc/35/09/82/1069350982.db2.gz ZFZLZAYSBHKHRO-IUKKYPGJSA-N 2 0 464.611 -0.637 20 0 JBADRP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)C[NH2+]CCC[NH3+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508558 1069352672 /nfs/dbraw/zinc/35/26/72/1069352672.db2.gz XVRLKZOHGUPIFD-PGRDOPGGSA-N 2 0 471.668 -0.023 20 0 JBADRP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[NH2+]CC45C[NH2+]C5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508586 1069352629 /nfs/dbraw/zinc/35/26/29/1069352629.db2.gz YOVFQOYYFGLOEP-AXHZCLLHSA-N 2 0 495.690 -0.152 20 0 JBADRP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[NH2+]CC45C[NH2+]C5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508587 1069352750 /nfs/dbraw/zinc/35/27/50/1069352750.db2.gz YOVFQOYYFGLOEP-YDIMBITNSA-N 2 0 495.690 -0.152 20 0 JBADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530732 1069354792 /nfs/dbraw/zinc/35/47/92/1069354792.db2.gz XOZWAEZILQLAQO-CTNGQTDRSA-N 2 0 476.622 -0.353 20 0 JBADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530733 1069355258 /nfs/dbraw/zinc/35/52/58/1069355258.db2.gz XOZWAEZILQLAQO-FPOVZHCZSA-N 2 0 476.622 -0.353 20 0 JBADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530734 1069355128 /nfs/dbraw/zinc/35/51/28/1069355128.db2.gz XOZWAEZILQLAQO-PZJWPPBQSA-N 2 0 476.622 -0.353 20 0 JBADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530735 1069354860 /nfs/dbraw/zinc/35/48/60/1069354860.db2.gz XOZWAEZILQLAQO-TZIWHRDSSA-N 2 0 476.622 -0.353 20 0 JBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541113 1069355638 /nfs/dbraw/zinc/35/56/38/1069355638.db2.gz QNXLEUVYEGKMMR-FBPBVXOASA-N 2 0 477.631 -0.637 20 0 JBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541114 1069355681 /nfs/dbraw/zinc/35/56/81/1069355681.db2.gz QNXLEUVYEGKMMR-JFYQVNSESA-N 2 0 477.631 -0.637 20 0 JBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541155 1069355840 /nfs/dbraw/zinc/35/58/40/1069355840.db2.gz RUKHAJWKOZTFTF-LXZJYRNTSA-N 2 0 454.618 -0.368 20 0 JBADRP O=C(N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159541182 1069356347 /nfs/dbraw/zinc/35/63/47/1069356347.db2.gz STZKQNHGEZODAE-FQVVGKCUSA-N 2 0 460.600 -0.188 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)C(N)=O ZINC001159573624 1069356501 /nfs/dbraw/zinc/35/65/01/1069356501.db2.gz BFEYSOQMRIGLGG-DOTOQJQBSA-N 2 0 468.562 -0.537 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159575270 1069356368 /nfs/dbraw/zinc/35/63/68/1069356368.db2.gz ZTRLGVFKOJWYNL-HOCLYGCPSA-N 2 0 454.535 -0.927 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583524 1069356531 /nfs/dbraw/zinc/35/65/31/1069356531.db2.gz ZHFQCXPOQIDTFO-KXBFYZLASA-N 2 0 484.605 -0.328 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)OC2(CC[NH2+]CC2)C1 ZINC001159596222 1069356925 /nfs/dbraw/zinc/35/69/25/1069356925.db2.gz ZKDPOMGONUNAGF-NVJIOZQYSA-N 2 0 491.614 -0.582 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)OC2(CC[NH2+]CC2)C1 ZINC001159596223 1069357120 /nfs/dbraw/zinc/35/71/20/1069357120.db2.gz ZKDPOMGONUNAGF-UGTOYMOASA-N 2 0 491.614 -0.582 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1Cn3ccnc3C13CC[NH2+]CC3)CC2 ZINC001159607618 1069358599 /nfs/dbraw/zinc/35/85/99/1069358599.db2.gz CEMVIHCJRVWRJD-IBGZPJMESA-N 2 0 457.623 -0.169 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1Cn3ccnc3C13CC[NH2+]CC3)CC2 ZINC001159607619 1069358343 /nfs/dbraw/zinc/35/83/43/1069358343.db2.gz CEMVIHCJRVWRJD-LJQANCHMSA-N 2 0 457.623 -0.169 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001159608521 1069358669 /nfs/dbraw/zinc/35/86/69/1069358669.db2.gz ISDHYNCEMXKGPJ-CLOONOSVSA-N 2 0 468.602 -0.207 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001159608522 1069358557 /nfs/dbraw/zinc/35/85/57/1069358557.db2.gz ISDHYNCEMXKGPJ-DFBJGRDBSA-N 2 0 468.602 -0.207 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001159608523 1069358379 /nfs/dbraw/zinc/35/83/79/1069358379.db2.gz ISDHYNCEMXKGPJ-KBMIEXCESA-N 2 0 468.602 -0.207 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001159608524 1069358232 /nfs/dbraw/zinc/35/82/32/1069358232.db2.gz ISDHYNCEMXKGPJ-UQBPGWFLSA-N 2 0 468.602 -0.207 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])CC2 ZINC001159608762 1069358275 /nfs/dbraw/zinc/35/82/75/1069358275.db2.gz AFIDETYDWAZLRN-FQEVSTJZSA-N 2 0 458.607 -0.631 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159608988 1069359464 /nfs/dbraw/zinc/35/94/64/1069359464.db2.gz KNPRQQDVCJRSTR-IBGZPJMESA-N 3 0 450.628 -0.864 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159608989 1069359118 /nfs/dbraw/zinc/35/91/18/1069359118.db2.gz KNPRQQDVCJRSTR-LJQANCHMSA-N 3 0 450.628 -0.864 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001159609312 1069359745 /nfs/dbraw/zinc/35/97/45/1069359745.db2.gz HYFUYUOELRUHRW-LEWJYISDSA-N 2 0 468.602 -0.204 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001159609314 1069359208 /nfs/dbraw/zinc/35/92/08/1069359208.db2.gz HYFUYUOELRUHRW-NHCUHLMSSA-N 2 0 468.602 -0.204 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001159609316 1069359581 /nfs/dbraw/zinc/35/95/81/1069359581.db2.gz HYFUYUOELRUHRW-RTWAWAEBSA-N 2 0 468.602 -0.204 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001159609318 1069359692 /nfs/dbraw/zinc/35/96/92/1069359692.db2.gz HYFUYUOELRUHRW-SFTDATJTSA-N 2 0 468.602 -0.204 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001159609529 1069358900 /nfs/dbraw/zinc/35/89/00/1069358900.db2.gz IFAMCCHXIIZELV-FQEVSTJZSA-N 2 0 484.605 -0.299 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001159609534 1069359374 /nfs/dbraw/zinc/35/93/74/1069359374.db2.gz IFAMCCHXIIZELV-HXUWFJFHSA-N 2 0 484.605 -0.299 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159609626 1069359427 /nfs/dbraw/zinc/35/94/27/1069359427.db2.gz OEEQYJXLMZSCET-GOSISDBHSA-N 2 0 469.652 -0.902 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159609631 1069359798 /nfs/dbraw/zinc/35/97/98/1069359798.db2.gz OEEQYJXLMZSCET-SFHVURJKSA-N 2 0 469.652 -0.902 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001159610129 1069359256 /nfs/dbraw/zinc/35/92/56/1069359256.db2.gz MIGBIWBDPYYMGX-FQEVSTJZSA-N 2 0 458.607 -0.631 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])C1CCC3(CC1)OCCO3)CC2 ZINC001159610134 1069359052 /nfs/dbraw/zinc/35/90/52/1069359052.db2.gz MJGGFOUNXWZWSB-IBGZPJMESA-N 2 0 451.612 -0.056 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]([NH3+])C1CCC3(CC1)OCCO3)CC2 ZINC001159610139 1069358958 /nfs/dbraw/zinc/35/89/58/1069358958.db2.gz MJGGFOUNXWZWSB-LJQANCHMSA-N 2 0 451.612 -0.056 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])CC2 ZINC001159610260 1069359535 /nfs/dbraw/zinc/35/95/35/1069359535.db2.gz NLMDBMZEYGMVQT-QFIPXVFZSA-N 2 0 497.644 -0.149 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC2 ZINC001159610777 1069359082 /nfs/dbraw/zinc/35/90/82/1069359082.db2.gz TWPGOFRUVFUCPS-INIZCTEOSA-N 2 0 478.560 -0.141 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001159610822 1069359637 /nfs/dbraw/zinc/35/96/37/1069359637.db2.gz URGLKLLLTWOOOI-SFHVURJKSA-N 2 0 474.610 -0.989 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159610891 1069359000 /nfs/dbraw/zinc/35/90/00/1069359000.db2.gz ULCUSCPPPIJWRZ-PMACEKPBSA-N 3 0 479.670 -0.870 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001159611127 1069360028 /nfs/dbraw/zinc/36/00/28/1069360028.db2.gz WTQLULKBNQMPLH-PMACEKPBSA-N 2 0 494.681 -0.183 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)CC2 ZINC001159611618 1069360261 /nfs/dbraw/zinc/36/02/61/1069360261.db2.gz YXFUJJAWOWDVCG-GOSISDBHSA-N 2 0 458.611 -0.774 20 0 JBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)CC2 ZINC001159611619 1069360154 /nfs/dbraw/zinc/36/01/54/1069360154.db2.gz YXFUJJAWOWDVCG-SFHVURJKSA-N 2 0 458.611 -0.774 20 0 JBADRP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159621443 1069360186 /nfs/dbraw/zinc/36/01/86/1069360186.db2.gz BUESRTKJUPOWLI-HKUYNNGSSA-N 2 0 457.641 -0.442 20 0 JBADRP COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159621444 1069359986 /nfs/dbraw/zinc/35/99/86/1069359986.db2.gz BUESRTKJUPOWLI-IEBWSBKVSA-N 2 0 457.641 -0.442 20 0 JBADRP COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159621445 1069360318 /nfs/dbraw/zinc/36/03/18/1069360318.db2.gz BUESRTKJUPOWLI-MJGOQNOKSA-N 2 0 457.641 -0.442 20 0 JBADRP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159621446 1069360392 /nfs/dbraw/zinc/36/03/92/1069360392.db2.gz BUESRTKJUPOWLI-PKOBYXMFSA-N 2 0 457.641 -0.442 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623745 1069360819 /nfs/dbraw/zinc/36/08/19/1069360819.db2.gz GGIBEZUIEKVKIL-ZWJWXYIHSA-N 2 0 451.568 -0.254 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633349 1069361513 /nfs/dbraw/zinc/36/15/13/1069361513.db2.gz JRJDSQZIJKDRKF-OALUTQOASA-N 2 0 470.578 -0.332 20 0 JBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]2C1 ZINC001159634842 1069361366 /nfs/dbraw/zinc/36/13/66/1069361366.db2.gz FKNXGXCTPRUQRD-IVAOSVALSA-N 2 0 481.638 -0.419 20 0 JBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644354 1069362014 /nfs/dbraw/zinc/36/20/14/1069362014.db2.gz UNJQBZJGLQTCOZ-NFBKMPQASA-N 2 0 470.574 -0.299 20 0 JBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644357 1069362146 /nfs/dbraw/zinc/36/21/46/1069362146.db2.gz UNJQBZJGLQTCOZ-NZQKXSOJSA-N 2 0 470.574 -0.299 20 0 JBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644360 1069362253 /nfs/dbraw/zinc/36/22/53/1069362253.db2.gz UNJQBZJGLQTCOZ-OFNKIYASSA-N 2 0 470.574 -0.299 20 0 JBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644361 1069362071 /nfs/dbraw/zinc/36/20/71/1069362071.db2.gz UNJQBZJGLQTCOZ-REWPJTCUSA-N 2 0 470.574 -0.299 20 0 JBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159652472 1069362679 /nfs/dbraw/zinc/36/26/79/1069362679.db2.gz DIZWQTHXSPIYDS-STWLZBDKSA-N 2 0 499.616 -0.305 20 0 JBADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159652473 1069362840 /nfs/dbraw/zinc/36/28/40/1069362840.db2.gz DIZWQTHXSPIYDS-WATLYSKOSA-N 2 0 499.616 -0.305 20 0 JBADRP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159663226 1069363181 /nfs/dbraw/zinc/36/31/81/1069363181.db2.gz GAEWGLBLNROLOL-IBGZPJMESA-N 2 0 455.563 -0.053 20 0 JBADRP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159663227 1069363478 /nfs/dbraw/zinc/36/34/78/1069363478.db2.gz GAEWGLBLNROLOL-LJQANCHMSA-N 2 0 455.563 -0.053 20 0 JBADRP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159664405 1069363292 /nfs/dbraw/zinc/36/32/92/1069363292.db2.gz WYUDNKHTAWLZCI-ICSRJNTNSA-N 2 0 484.605 -0.059 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664964 1069364158 /nfs/dbraw/zinc/36/41/58/1069364158.db2.gz HBUQOWIPEBXAKK-LGKPFJOYSA-N 2 0 483.569 -0.364 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664965 1069364277 /nfs/dbraw/zinc/36/42/77/1069364277.db2.gz HBUQOWIPEBXAKK-MALNDZBISA-N 2 0 483.569 -0.364 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664966 1069364186 /nfs/dbraw/zinc/36/41/86/1069364186.db2.gz HBUQOWIPEBXAKK-SWUCNREESA-N 2 0 483.569 -0.364 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664967 1069364063 /nfs/dbraw/zinc/36/40/63/1069364063.db2.gz HBUQOWIPEBXAKK-UDIDDNNKSA-N 2 0 483.569 -0.364 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666023 1069364350 /nfs/dbraw/zinc/36/43/50/1069364350.db2.gz NYRYVFDXOLKELE-FFGOWVMKSA-N 2 0 458.563 -0.662 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666024 1069364314 /nfs/dbraw/zinc/36/43/14/1069364314.db2.gz NYRYVFDXOLKELE-LEAZDLGRSA-N 2 0 458.563 -0.662 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666025 1069364132 /nfs/dbraw/zinc/36/41/32/1069364132.db2.gz NYRYVFDXOLKELE-NBYUQASBSA-N 2 0 458.563 -0.662 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666026 1069363968 /nfs/dbraw/zinc/36/39/68/1069363968.db2.gz NYRYVFDXOLKELE-RNQOJCNYSA-N 2 0 458.563 -0.662 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159714545 1069365426 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C[N@@H+]1C[C@@H](C(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159737001 1069366274 /nfs/dbraw/zinc/36/62/74/1069366274.db2.gz ILRYWKQSZWLZRZ-DXIQSLLYSA-N 2 0 450.580 -0.447 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159737005 1069366157 /nfs/dbraw/zinc/36/61/57/1069366157.db2.gz ILRYWKQSZWLZRZ-KNKQGSTJSA-N 2 0 450.580 -0.447 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001159758478 1069367018 /nfs/dbraw/zinc/36/70/18/1069367018.db2.gz ONFJOWHSOFLZLU-CMCWBKRRSA-N 2 0 478.638 -0.772 20 0 JBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759135 1069366948 /nfs/dbraw/zinc/36/69/48/1069366948.db2.gz ZAWFBTDELMHTPM-WOIUINJBSA-N 2 0 458.611 -0.288 20 0 JBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759136 1069367037 /nfs/dbraw/zinc/36/70/37/1069367037.db2.gz ZAWFBTDELMHTPM-XQBPLPMBSA-N 2 0 458.611 -0.288 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001159767494 1069367956 /nfs/dbraw/zinc/36/79/56/1069367956.db2.gz JBMNBQBLLPUCSZ-YSTOQKLRSA-N 2 0 450.580 -0.591 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001159767495 1069367736 /nfs/dbraw/zinc/36/77/36/1069367736.db2.gz JBMNBQBLLPUCSZ-ZRNYENFQSA-N 2 0 450.580 -0.591 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768487 1069367710 /nfs/dbraw/zinc/36/77/10/1069367710.db2.gz UUALZARRUHQVGV-MJCUULBUSA-N 2 0 479.622 -0.596 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159790224 1069368526 /nfs/dbraw/zinc/36/85/26/1069368526.db2.gz AMHIWUFWTVPMSU-IBGZPJMESA-N 2 0 484.557 -0.049 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159790225 1069368683 /nfs/dbraw/zinc/36/86/83/1069368683.db2.gz AMHIWUFWTVPMSU-LJQANCHMSA-N 2 0 484.557 -0.049 20 0 JBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791499 1069369186 /nfs/dbraw/zinc/36/91/86/1069369186.db2.gz YOJMFQFUFHBPKH-KRWDZBQOSA-N 2 0 457.535 -0.751 20 0 JBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791500 1069369212 /nfs/dbraw/zinc/36/92/12/1069369212.db2.gz YOJMFQFUFHBPKH-QGZVFWFLSA-N 2 0 457.535 -0.751 20 0 JBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001159834941 1069372279 /nfs/dbraw/zinc/37/22/79/1069372279.db2.gz WWTXXNZFDDKGOX-BVBHFADKSA-N 2 0 459.624 -0.019 20 0 JBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001159834942 1069372184 /nfs/dbraw/zinc/37/21/84/1069372184.db2.gz WWTXXNZFDDKGOX-LULLPPNCSA-N 2 0 459.624 -0.019 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855045 1069372077 /nfs/dbraw/zinc/37/20/77/1069372077.db2.gz HCIMLUYFLSOJNA-RKOGWWSCSA-N 2 0 461.538 -0.056 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855046 1069372251 /nfs/dbraw/zinc/37/22/51/1069372251.db2.gz HCIMLUYFLSOJNA-UHMOLFJZSA-N 2 0 461.538 -0.056 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855047 1069371946 /nfs/dbraw/zinc/37/19/46/1069371946.db2.gz HCIMLUYFLSOJNA-UUXHPUJUSA-N 2 0 461.538 -0.056 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855048 1069372121 /nfs/dbraw/zinc/37/21/21/1069372121.db2.gz HCIMLUYFLSOJNA-ZSXHRAQDSA-N 2 0 461.538 -0.056 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001159863060 1069372648 /nfs/dbraw/zinc/37/26/48/1069372648.db2.gz LXQUSFDYZHCJLQ-UHFFFAOYSA-N 2 0 493.568 -0.976 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888719 1069372605 /nfs/dbraw/zinc/37/26/05/1069372605.db2.gz VQBSJZHFPYNAEQ-DKICVRJWSA-N 2 0 452.506 -0.151 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888720 1069373031 /nfs/dbraw/zinc/37/30/31/1069373031.db2.gz VQBSJZHFPYNAEQ-UVFQYZLESA-N 2 0 452.506 -0.151 20 0 JBADRP COCCN1CCO[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]2C1=O ZINC001159918496 1069373673 /nfs/dbraw/zinc/37/36/73/1069373673.db2.gz SXSXJQXNESRXTN-XWSJACJDSA-N 2 0 453.584 -0.844 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)C(=O)CF ZINC001159929478 1069373439 /nfs/dbraw/zinc/37/34/39/1069373439.db2.gz DVXIXUOIJTZGJB-HQMXNFIDSA-N 2 0 484.617 -0.875 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930402 1069373709 /nfs/dbraw/zinc/37/37/09/1069373709.db2.gz TWMUOMDRUACBQB-LWYYNNOASA-N 2 0 450.628 -0.378 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159980122 1069375064 /nfs/dbraw/zinc/37/50/64/1069375064.db2.gz JCTLUPFBIWFXSJ-XUJKJYMVSA-N 2 0 479.622 -0.167 20 0 JBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159990016 1069374865 /nfs/dbraw/zinc/37/48/65/1069374865.db2.gz FFGQQJRJZHZPHE-IBGZPJMESA-N 2 0 464.574 -0.083 20 0 JBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159990017 1069374985 /nfs/dbraw/zinc/37/49/85/1069374985.db2.gz FFGQQJRJZHZPHE-LJQANCHMSA-N 2 0 464.574 -0.083 20 0 JBADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C1 ZINC001160007928 1069375710 /nfs/dbraw/zinc/37/57/10/1069375710.db2.gz QPCPOJLDBTWZLV-OWSLCNJRSA-N 2 0 458.629 -0.980 20 0 JBADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001160041473 1069376399 /nfs/dbraw/zinc/37/63/99/1069376399.db2.gz JAHPUZRDJCOJAP-BZDHPDOMSA-N 2 0 452.600 -0.145 20 0 JBADRP Cc1ccc(N(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049722 1069376157 /nfs/dbraw/zinc/37/61/57/1069376157.db2.gz BUBGFPOJWCISBQ-FIKGOQFSSA-N 2 0 453.551 -0.033 20 0 JBADRP Cc1ccc(N(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049723 1069377133 /nfs/dbraw/zinc/37/71/33/1069377133.db2.gz BUBGFPOJWCISBQ-LLGFUMIMSA-N 2 0 453.551 -0.033 20 0 JBADRP Cc1ccc(N(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049724 1069377039 /nfs/dbraw/zinc/37/70/39/1069377039.db2.gz BUBGFPOJWCISBQ-WWMYMODYSA-N 2 0 453.551 -0.033 20 0 JBADRP Cc1ccc(N(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049725 1069376937 /nfs/dbraw/zinc/37/69/37/1069376937.db2.gz BUBGFPOJWCISBQ-XGHQBKJUSA-N 2 0 453.551 -0.033 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059350 1069376665 /nfs/dbraw/zinc/37/66/65/1069376665.db2.gz PCGXOBUVFYQESK-FKRYTKDZSA-N 2 0 498.584 -0.218 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059354 1069376777 /nfs/dbraw/zinc/37/67/77/1069376777.db2.gz PCGXOBUVFYQESK-IBSUQTTCSA-N 2 0 498.584 -0.218 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059356 1069376949 /nfs/dbraw/zinc/37/69/49/1069376949.db2.gz PCGXOBUVFYQESK-QNGCPFJASA-N 2 0 498.584 -0.218 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059360 1069377074 /nfs/dbraw/zinc/37/70/74/1069377074.db2.gz PCGXOBUVFYQESK-XZNRUFCYSA-N 2 0 498.584 -0.218 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059690 1069376707 /nfs/dbraw/zinc/37/67/07/1069376707.db2.gz RFIUGZDPUWDUSK-DDOIHHOZSA-N 2 0 473.578 -0.516 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059693 1069376909 /nfs/dbraw/zinc/37/69/09/1069376909.db2.gz RFIUGZDPUWDUSK-DWKCODDLSA-N 2 0 473.578 -0.516 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059694 1069376745 /nfs/dbraw/zinc/37/67/45/1069376745.db2.gz RFIUGZDPUWDUSK-FXKZBUDASA-N 2 0 473.578 -0.516 20 0 JBADRP Cc1ccc(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059696 1069377021 /nfs/dbraw/zinc/37/70/21/1069377021.db2.gz RFIUGZDPUWDUSK-ORQYLMBXSA-N 2 0 473.578 -0.516 20 0 JBADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CC5(CC[NH2+]CC5)O4)CC[C@@H]32)cn1 ZINC001160076696 1069376990 /nfs/dbraw/zinc/37/69/90/1069376990.db2.gz CEIZWZXKDNYDHN-HAGHYFMRSA-N 2 0 460.579 -0.534 20 0 JBADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CC5(CC[NH2+]CC5)O4)CC[C@@H]32)cn1 ZINC001160076744 1069377115 /nfs/dbraw/zinc/37/71/15/1069377115.db2.gz CEIZWZXKDNYDHN-VNTMZGSJSA-N 2 0 460.579 -0.534 20 0 JBADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160085227 1069377863 /nfs/dbraw/zinc/37/78/63/1069377863.db2.gz IIMBFCGMCCCKRX-FPPGBKCQSA-N 2 0 460.579 -0.572 20 0 JBADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]32)cn1 ZINC001160086897 1069378370 /nfs/dbraw/zinc/37/83/70/1069378370.db2.gz XBRFBSDNWHPGEA-UQVNRYHBSA-N 2 0 489.621 -0.539 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102298 1069381535 /nfs/dbraw/zinc/38/15/35/1069381535.db2.gz KFHVWBHLQMFTQA-MOPGFXCFSA-N 2 0 450.580 -0.304 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102299 1069381771 /nfs/dbraw/zinc/38/17/71/1069381771.db2.gz KFHVWBHLQMFTQA-OALUTQOASA-N 2 0 450.580 -0.304 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102300 1069381811 /nfs/dbraw/zinc/38/18/11/1069381811.db2.gz KFHVWBHLQMFTQA-RBUKOAKNSA-N 2 0 450.580 -0.304 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102301 1069381460 /nfs/dbraw/zinc/38/14/60/1069381460.db2.gz KFHVWBHLQMFTQA-RTBURBONSA-N 2 0 450.580 -0.304 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160102353 1069381412 /nfs/dbraw/zinc/38/14/12/1069381412.db2.gz KORSHRULAPGMNJ-AABGKKOBSA-N 2 0 479.622 -0.310 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160102355 1069381716 /nfs/dbraw/zinc/38/17/16/1069381716.db2.gz KORSHRULAPGMNJ-UFYCRDLUSA-N 2 0 479.622 -0.310 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160137250 1069382180 /nfs/dbraw/zinc/38/21/80/1069382180.db2.gz DMFSCMFYXOQFEJ-IWDBHXEASA-N 2 0 483.569 -0.066 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139270 1069382210 /nfs/dbraw/zinc/38/22/10/1069382210.db2.gz XMEGAVGHQIPUSY-HQMXNFIDSA-N 2 0 458.563 -0.364 20 0 JBADRP CC(C)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001160164729 1069382345 /nfs/dbraw/zinc/38/23/45/1069382345.db2.gz GVJKLXPRFBNIGC-LPHOPBHVSA-N 2 0 474.606 -0.181 20 0 JBADRP CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@]2(CCCC(=O)N2)C1 ZINC001160193270 1069383763 /nfs/dbraw/zinc/38/37/63/1069383763.db2.gz MQFKYUIOLQGXAO-AXHZCLLHSA-N 2 0 478.638 -0.201 20 0 JBADRP CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@]2(CCCC(=O)N2)C1 ZINC001160193271 1069383427 /nfs/dbraw/zinc/38/34/27/1069383427.db2.gz MQFKYUIOLQGXAO-JXQFQVJHSA-N 2 0 478.638 -0.201 20 0 JBADRP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001160213432 1069384351 /nfs/dbraw/zinc/38/43/51/1069384351.db2.gz WGWOCWUQNIKVGC-QXCZDIPSSA-N 2 0 475.594 -0.644 20 0 JBADRP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160266020 1069385586 /nfs/dbraw/zinc/38/55/86/1069385586.db2.gz GTVZUOAJVAXFAY-ICSRJNTNSA-N 2 0 474.606 -0.689 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160343994 1069388094 /nfs/dbraw/zinc/38/80/94/1069388094.db2.gz OHARPXZAVMPLFS-HKUYNNGSSA-N 2 0 468.562 -0.486 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160343999 1069388176 /nfs/dbraw/zinc/38/81/76/1069388176.db2.gz OHARPXZAVMPLFS-IEBWSBKVSA-N 2 0 468.562 -0.486 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160344002 1069388203 /nfs/dbraw/zinc/38/82/03/1069388203.db2.gz OHARPXZAVMPLFS-MJGOQNOKSA-N 2 0 468.562 -0.486 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160344004 1069387896 /nfs/dbraw/zinc/38/78/96/1069387896.db2.gz OHARPXZAVMPLFS-PKOBYXMFSA-N 2 0 468.562 -0.486 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352325 1069388061 /nfs/dbraw/zinc/38/80/61/1069388061.db2.gz CTRGSDOVFGDHJL-SFYKDHMMSA-N 2 0 475.594 -0.642 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352338 1069388015 /nfs/dbraw/zinc/38/80/15/1069388015.db2.gz CTRGSDOVFGDHJL-YDHSSHFGSA-N 2 0 475.594 -0.642 20 0 JBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CCC2 ZINC001160372640 1069389742 /nfs/dbraw/zinc/38/97/42/1069389742.db2.gz RKFUFQRDGUVFCT-PMACEKPBSA-N 2 0 488.589 -0.554 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160390934 1069390603 /nfs/dbraw/zinc/39/06/03/1069390603.db2.gz HVRYKMVNISEHOC-PMACEKPBSA-N 2 0 492.665 -0.069 20 0 JBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160391492 1069390225 /nfs/dbraw/zinc/39/02/25/1069390225.db2.gz NKWMXQLYHCRBDF-PMACEKPBSA-N 2 0 475.590 -0.716 20 0 JBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160392044 1069390417 /nfs/dbraw/zinc/39/04/17/1069390417.db2.gz VEQYITHDNLWUQC-OALUTQOASA-N 3 0 450.628 -0.021 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)OC2(CC[NH2+]CC2)C1 ZINC001160398103 1069390967 /nfs/dbraw/zinc/39/09/67/1069390967.db2.gz FXUCVIZLPWENIC-IBGZPJMESA-N 2 0 458.563 -0.237 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)OC2(CC[NH2+]CC2)C1 ZINC001160398106 1069391183 /nfs/dbraw/zinc/39/11/83/1069391183.db2.gz FXUCVIZLPWENIC-LJQANCHMSA-N 2 0 458.563 -0.237 20 0 JBADRP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001160398576 1069390866 /nfs/dbraw/zinc/39/08/66/1069390866.db2.gz JMLKVQZGEUPPAC-UHZRXMQZSA-N 2 0 475.594 -0.644 20 0 JBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160401561 1069391797 /nfs/dbraw/zinc/39/17/97/1069391797.db2.gz SWTROQMPKZYKNL-CIAFKFPVSA-N 2 0 458.607 -0.256 20 0 JBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160401562 1069391646 /nfs/dbraw/zinc/39/16/46/1069391646.db2.gz SWTROQMPKZYKNL-CLAROIROSA-N 2 0 458.607 -0.256 20 0 JBADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160403542 1069392366 /nfs/dbraw/zinc/39/23/66/1069392366.db2.gz ALESRUJVIIVFIC-GOSISDBHSA-N 2 0 470.578 -0.616 20 0 JBADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160403545 1069392473 /nfs/dbraw/zinc/39/24/73/1069392473.db2.gz ALESRUJVIIVFIC-SFHVURJKSA-N 2 0 470.578 -0.616 20 0 JBADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160404870 1069392136 /nfs/dbraw/zinc/39/21/36/1069392136.db2.gz CPGGGTXVYXZSAI-OALUTQOASA-N 2 0 499.620 -0.621 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408133 1069392734 /nfs/dbraw/zinc/39/27/34/1069392734.db2.gz ITZBVQGFHVXKSM-ICSRJNTNSA-N 2 0 494.556 -0.548 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408206 1069392925 /nfs/dbraw/zinc/39/29/25/1069392925.db2.gz LOGSIZGEZGKNAH-RDJZCZTQSA-N 2 0 469.550 -0.846 20 0 JBADRP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)n1 ZINC001160428927 1069393569 /nfs/dbraw/zinc/39/35/69/1069393569.db2.gz NMYMQEICWKGXMH-IRXDYDNUSA-N 2 0 463.583 -0.415 20 0 JBADRP COCCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1CC[NH+](C)CC1 ZINC001160439540 1069393798 /nfs/dbraw/zinc/39/37/98/1069393798.db2.gz MADVWOUMZSWDJM-KNBMTAEXSA-N 2 0 473.590 -0.543 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001160461229 1069394405 /nfs/dbraw/zinc/39/44/05/1069394405.db2.gz LDAFYMSLHHXWFH-VXKWHMMOSA-N 2 0 456.543 -0.038 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470335 1069394249 /nfs/dbraw/zinc/39/42/49/1069394249.db2.gz JQPQGQUUHQJKBY-BBTUJRGHSA-N 2 0 473.574 -0.056 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470336 1069394067 /nfs/dbraw/zinc/39/40/67/1069394067.db2.gz JQPQGQUUHQJKBY-WFXMLNOXSA-N 2 0 473.574 -0.056 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N)C(=O)CF ZINC001160538293 1069396117 /nfs/dbraw/zinc/39/61/17/1069396117.db2.gz HLAVRIJNRKQIKC-ATZCPQFDSA-N 2 0 465.530 -0.671 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N)C(=O)CF ZINC001160538294 1069396293 /nfs/dbraw/zinc/39/62/93/1069396293.db2.gz HLAVRIJNRKQIKC-HRJSJKBJSA-N 2 0 465.530 -0.671 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(=O)CF ZINC001160629531 1069398541 /nfs/dbraw/zinc/39/85/41/1069398541.db2.gz TYIGZLHZWOAHLU-WFXMLNOXSA-N 3 0 488.649 -0.380 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)C(=O)NCC(N)=O ZINC001160629540 1069398664 /nfs/dbraw/zinc/39/86/64/1069398664.db2.gz TZNHGBOZWPUOOY-HOJAQTOUSA-N 2 0 478.638 -0.426 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)C(=O)NCC(N)=O ZINC001160629543 1069398794 /nfs/dbraw/zinc/39/87/94/1069398794.db2.gz TZNHGBOZWPUOOY-IHPCNDPISA-N 2 0 478.638 -0.426 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C(=O)NCC(N)=O ZINC001160631895 1069399851 /nfs/dbraw/zinc/39/98/51/1069399851.db2.gz XBCHVDUXORGMPU-BZSNNMDCSA-N 2 0 454.616 -0.395 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001160682692 1069401250 /nfs/dbraw/zinc/40/12/50/1069401250.db2.gz ISFGITRSUFWHGI-JOCHJYFZSA-N 2 0 494.596 -0.403 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001160682693 1069401073 /nfs/dbraw/zinc/40/10/73/1069401073.db2.gz ISFGITRSUFWHGI-QFIPXVFZSA-N 2 0 494.596 -0.403 20 0 JBADRP COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001160762602 1069402799 /nfs/dbraw/zinc/40/27/99/1069402799.db2.gz LEJWEPIXGULXAM-UHFFFAOYSA-N 2 0 468.576 -0.087 20 0 JBADRP COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001160762604 1069402480 /nfs/dbraw/zinc/40/24/80/1069402480.db2.gz LFYFNUKTMKKYEM-WMLDXEAASA-N 2 0 489.573 -0.209 20 0 JBADRP COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160762872 1069402738 /nfs/dbraw/zinc/40/27/38/1069402738.db2.gz LXXAUWJHIAQPBE-BBRMVZONSA-N 2 0 475.546 -0.600 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)C(=O)CF ZINC001160781841 1069403367 /nfs/dbraw/zinc/40/33/67/1069403367.db2.gz WLRHRNYWSAXRRT-UNKLQJDYSA-N 2 0 489.592 -0.113 20 0 JBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)C[C@H]1C2 ZINC001160796959 1069404011 /nfs/dbraw/zinc/40/40/11/1069404011.db2.gz DDVPQIXVYNKQOL-UPEKQRMVSA-N 2 0 477.606 -0.757 20 0 JBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)[NH3+])C[C@H]1C2 ZINC001160797244 1069403974 /nfs/dbraw/zinc/40/39/74/1069403974.db2.gz LMUXMNGAUXVYMB-BVCUWYENSA-N 2 0 491.633 -0.287 20 0 JBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]1C2 ZINC001160797782 1069404063 /nfs/dbraw/zinc/40/40/63/1069404063.db2.gz VSQBTMQSKVPLBQ-XOFNMGDYSA-N 2 0 450.580 -0.023 20 0 JBADRP CCOC(=O)[C@]12CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160813616 1069403919 /nfs/dbraw/zinc/40/39/19/1069403919.db2.gz AWSNYRPRWVURGE-JIWZOFCXSA-N 2 0 479.622 -0.143 20 0 JBADRP CCOC(=O)[C@]12CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160813704 1069404042 /nfs/dbraw/zinc/40/40/42/1069404042.db2.gz DRGAVAWEKAZVJL-SCYDXJQRSA-N 2 0 465.595 -0.613 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160895164 1069406336 /nfs/dbraw/zinc/40/63/36/1069406336.db2.gz WAFJFNPLKHOZSN-VXKWHMMOSA-N 2 0 472.634 -0.063 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915595 1069407774 /nfs/dbraw/zinc/40/77/74/1069407774.db2.gz FMYOBRDPCPLBLP-ICSRJNTNSA-N 2 0 453.547 -0.392 20 0 JBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993506 1069412007 /nfs/dbraw/zinc/41/20/07/1069412007.db2.gz UTRRZFGLMAUBDG-BZSNNMDCSA-N 2 0 480.564 -0.498 20 0 JBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993507 1069412069 /nfs/dbraw/zinc/41/20/69/1069412069.db2.gz UTRRZFGLMAUBDG-KSZLIROESA-N 2 0 480.564 -0.498 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008526 1069412620 /nfs/dbraw/zinc/41/26/20/1069412620.db2.gz PPAKUDSQXGVWAP-ZJOUEHCJSA-N 2 0 459.591 -0.471 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008528 1069412758 /nfs/dbraw/zinc/41/27/58/1069412758.db2.gz PPAKUDSQXGVWAP-ZVDOUQERSA-N 2 0 459.591 -0.471 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067145 1069413695 /nfs/dbraw/zinc/41/36/95/1069413695.db2.gz FQMZTPQDYHVZOW-IKGGRYGDSA-N 2 0 452.581 -0.592 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067149 1069413554 /nfs/dbraw/zinc/41/35/54/1069413554.db2.gz FQMZTPQDYHVZOW-ULQDDVLXSA-N 2 0 452.581 -0.592 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117269 1069414069 /nfs/dbraw/zinc/41/40/69/1069414069.db2.gz DALQMEUAEKHMGA-FHWLQOOXSA-N 2 0 491.587 -0.124 20 0 JBADRP O=C([C@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117270 1069414095 /nfs/dbraw/zinc/41/40/95/1069414095.db2.gz DALQMEUAEKHMGA-OTWHNJEPSA-N 2 0 491.587 -0.124 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccnn4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117480 1069414841 /nfs/dbraw/zinc/41/48/41/1069414841.db2.gz LMTHCFZQTIYZPV-NJAFHUGGSA-N 2 0 451.522 -0.655 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]Cc4ccnn4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117482 1069414881 /nfs/dbraw/zinc/41/48/81/1069414881.db2.gz LMTHCFZQTIYZPV-SZMVWBNQSA-N 2 0 451.522 -0.655 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117815 1069414834 /nfs/dbraw/zinc/41/48/34/1069414834.db2.gz SWPPZKVBOPPGFT-BZSNNMDCSA-N 2 0 492.575 -0.729 20 0 JBADRP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117816 1069414729 /nfs/dbraw/zinc/41/47/29/1069414729.db2.gz SWPPZKVBOPPGFT-KSZLIROESA-N 2 0 492.575 -0.729 20 0 JBADRP NC(=O)C1CC[NH+](CCC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161118214 1069414856 /nfs/dbraw/zinc/41/48/56/1069414856.db2.gz BKDWRLSYGVNMLU-ROUUACIJSA-N 2 0 470.565 -0.684 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CC[C@]4(C3)C[NH2+]CCO4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118551 1069414906 /nfs/dbraw/zinc/41/49/06/1069414906.db2.gz HMRONWKYWGGCTB-NTLWEQJWSA-N 2 0 455.550 -0.113 20 0 JBADRP O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118552 1069414867 /nfs/dbraw/zinc/41/48/67/1069414867.db2.gz HMRONWKYWGGCTB-OEMYIYORSA-N 2 0 455.550 -0.113 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CC[C@@]4(C3)C[NH2+]CCO4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118553 1069415436 /nfs/dbraw/zinc/41/54/36/1069415436.db2.gz HMRONWKYWGGCTB-RYLXDESZSA-N 2 0 455.550 -0.113 20 0 JBADRP O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118554 1069415387 /nfs/dbraw/zinc/41/53/87/1069415387.db2.gz HMRONWKYWGGCTB-WKRCXCSHSA-N 2 0 455.550 -0.113 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119231 1069415403 /nfs/dbraw/zinc/41/54/03/1069415403.db2.gz NBSSYXMJFOBYAR-ULQDDVLXSA-N 2 0 458.554 -0.782 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CC34CCOCC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119271 1069415471 /nfs/dbraw/zinc/41/54/71/1069415471.db2.gz OPBRVNGQLBUOFB-BZSNNMDCSA-N 2 0 455.550 -0.255 20 0 JBADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119272 1069415514 /nfs/dbraw/zinc/41/55/14/1069415514.db2.gz OPBRVNGQLBUOFB-KSZLIROESA-N 2 0 455.550 -0.255 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119689 1069415479 /nfs/dbraw/zinc/41/54/79/1069415479.db2.gz SYNSSNAQSCYXAP-FYQPLNBISA-N 2 0 468.593 -0.197 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119690 1069415488 /nfs/dbraw/zinc/41/54/88/1069415488.db2.gz SYNSSNAQSCYXAP-MUGJNUQGSA-N 2 0 468.593 -0.197 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119691 1069415313 /nfs/dbraw/zinc/41/53/13/1069415313.db2.gz SYNSSNAQSCYXAP-YRPNKDGESA-N 2 0 468.593 -0.197 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119692 1069415346 /nfs/dbraw/zinc/41/53/46/1069415346.db2.gz SYNSSNAQSCYXAP-ZRNYENFQSA-N 2 0 468.593 -0.197 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@]34CCCO[C@@H]3CC[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119914 1069415255 /nfs/dbraw/zinc/41/52/55/1069415255.db2.gz UHVJSHCNWWYUKW-LXGFNABISA-N 2 0 455.550 -0.113 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3COC4(C3)CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119929 1069416132 /nfs/dbraw/zinc/41/61/32/1069416132.db2.gz UOWYMDWLNKCMKB-BZSNNMDCSA-N 2 0 455.550 -0.113 20 0 JBADRP O=C([C@H]1COC2(C1)CC[NH2+]CC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119930 1069416078 /nfs/dbraw/zinc/41/60/78/1069416078.db2.gz UOWYMDWLNKCMKB-SQNIBIBYSA-N 2 0 455.550 -0.113 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119945 1069416157 /nfs/dbraw/zinc/41/61/57/1069416157.db2.gz VESZRXXJSRURTP-XSLAGTTESA-N 2 0 472.581 -0.393 20 0 JBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119955 1069416213 /nfs/dbraw/zinc/41/62/13/1069416213.db2.gz VONDRHDCAFZKFZ-LFDJNIOPSA-N 2 0 455.550 -0.257 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119990 1069416239 /nfs/dbraw/zinc/41/62/39/1069416239.db2.gz XCTCARRVKVMUSO-BZSNNMDCSA-N 3 0 454.566 -0.397 20 0 JBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119991 1069416092 /nfs/dbraw/zinc/41/60/92/1069416092.db2.gz XCTCARRVKVMUSO-KSZLIROESA-N 3 0 454.566 -0.397 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161120104 1069416188 /nfs/dbraw/zinc/41/61/88/1069416188.db2.gz XPGXBXCASVJERU-FHWLQOOXSA-N 3 0 484.592 -0.819 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161120105 1069415979 /nfs/dbraw/zinc/41/59/79/1069415979.db2.gz XPGXBXCASVJERU-GBESFXJTSA-N 3 0 484.592 -0.819 20 0 JBADRP CC(C)[NH+]1CCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161120140 1069415949 /nfs/dbraw/zinc/41/59/49/1069415949.db2.gz ZLZRXCWSKGQDKH-OALUTQOASA-N 2 0 456.582 -0.245 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122051 1069416202 /nfs/dbraw/zinc/41/62/02/1069416202.db2.gz ALSYUNKWZXYBOJ-HKUYNNGSSA-N 2 0 477.560 -0.153 20 0 JBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122084 1069416148 /nfs/dbraw/zinc/41/61/48/1069416148.db2.gz CKCHUZRSVOMAKK-HOTGVXAUSA-N 2 0 483.589 -0.091 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122507 1069416709 /nfs/dbraw/zinc/41/67/09/1069416709.db2.gz YMAMESNSFNSALY-IRXDYDNUSA-N 2 0 478.548 -0.758 20 0 JBADRP [NH3+][C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CCC2(CC1)OCCO2 ZINC001161122579 1069416762 /nfs/dbraw/zinc/41/67/62/1069416762.db2.gz BKWPHUGSOGGFHQ-FHWLQOOXSA-N 2 0 485.576 -0.011 20 0 JBADRP [NH3+][C@@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CCC2(CC1)OCCO2 ZINC001161122580 1069416685 /nfs/dbraw/zinc/41/66/85/1069416685.db2.gz BKWPHUGSOGGFHQ-GBESFXJTSA-N 2 0 485.576 -0.011 20 0 JBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122658 1069416742 /nfs/dbraw/zinc/41/67/42/1069416742.db2.gz FGSFXPKILFYYHP-ULQDDVLXSA-N 2 0 457.522 -0.776 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)COC1(C)C ZINC001161122661 1069416569 /nfs/dbraw/zinc/41/65/69/1069416569.db2.gz FKDDYNVNJWBVLV-QAETUUGQSA-N 2 0 486.564 -0.961 20 0 JBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122705 1069416587 /nfs/dbraw/zinc/41/65/87/1069416587.db2.gz HDTLJKGIUNOUEE-BZSNNMDCSA-N 2 0 456.582 -0.199 20 0 JBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122706 1069417316 /nfs/dbraw/zinc/41/73/16/1069417316.db2.gz HDTLJKGIUNOUEE-OKZBNKHCSA-N 2 0 456.582 -0.199 20 0 JBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122746 1069417168 /nfs/dbraw/zinc/41/71/68/1069417168.db2.gz IGCFBUKBOPFEDI-QAETUUGQSA-N 2 0 456.538 -0.933 20 0 JBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122753 1069417210 /nfs/dbraw/zinc/41/72/10/1069417210.db2.gz IQVMDTWGHHWQJS-ULQDDVLXSA-N 2 0 458.554 -0.782 20 0 JBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1=O ZINC001161122754 1069417262 /nfs/dbraw/zinc/41/72/62/1069417262.db2.gz ISEXRVHBTHTRNN-ULQDDVLXSA-N 2 0 456.538 -0.932 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122786 1069417284 /nfs/dbraw/zinc/41/72/84/1069417284.db2.gz JUDUIIOIDNWCOE-OVWQWFNUSA-N 2 0 458.554 -0.782 20 0 JBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122813 1069417233 /nfs/dbraw/zinc/41/72/33/1069417233.db2.gz LAFPQLQBELRVPU-BZSNNMDCSA-N 2 0 458.554 -0.638 20 0 JBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123171 1069417181 /nfs/dbraw/zinc/41/71/81/1069417181.db2.gz PMVPJJMKNMZLNS-UFYCRDLUSA-N 2 0 492.571 -0.585 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123604 1069417159 /nfs/dbraw/zinc/41/71/59/1069417159.db2.gz QWJRORRQIFAQMY-FUMNGEBKSA-N 2 0 468.593 -0.055 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123608 1069417219 /nfs/dbraw/zinc/41/72/19/1069417219.db2.gz QWJRORRQIFAQMY-FYQPLNBISA-N 2 0 468.593 -0.055 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123614 1069417205 /nfs/dbraw/zinc/41/72/05/1069417205.db2.gz QWJRORRQIFAQMY-LWYYNNOASA-N 2 0 468.593 -0.055 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123618 1069417305 /nfs/dbraw/zinc/41/73/05/1069417305.db2.gz QWJRORRQIFAQMY-MUGJNUQGSA-N 2 0 468.593 -0.055 20 0 JBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123640 1069417248 /nfs/dbraw/zinc/41/72/48/1069417248.db2.gz RGPJIBQMYXXNHN-HZMVEIRTSA-N 2 0 457.522 -0.873 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124420 1069417337 /nfs/dbraw/zinc/41/73/37/1069417337.db2.gz VVWLKUUGFMYBSL-BZSNNMDCSA-N 2 0 458.554 -0.638 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)C3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124440 1069417240 /nfs/dbraw/zinc/41/72/40/1069417240.db2.gz WBIHBFDZXHLHTF-AABGKKOBSA-N 2 0 468.593 -0.197 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)C3CCN([C@H]4CC[NH2+]C4)CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124443 1069418070 /nfs/dbraw/zinc/41/80/70/1069418070.db2.gz WBIHBFDZXHLHTF-UFYCRDLUSA-N 2 0 468.593 -0.197 20 0 JBADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124602 1069418103 /nfs/dbraw/zinc/41/81/03/1069418103.db2.gz RWDKTUHNEHVJBY-HOTGVXAUSA-N 2 0 451.522 -0.615 20 0 JBADRP [NH3+]C1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCC2(CC1)OCCO2 ZINC001161124856 1069418090 /nfs/dbraw/zinc/41/80/90/1069418090.db2.gz YZFVRPYZNVVKEC-IRXDYDNUSA-N 2 0 471.549 -0.257 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001161147512 1069418831 /nfs/dbraw/zinc/41/88/31/1069418831.db2.gz YUOQQMIAIUVZKG-UHFFFAOYSA-N 2 0 472.590 -0.802 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2)c2nonc21 ZINC001161152931 1069418900 /nfs/dbraw/zinc/41/89/00/1069418900.db2.gz BMBIUEXKKWZXDA-AWEZNQCLSA-N 2 0 453.569 -0.032 20 0 JBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001161153447 1069420211 /nfs/dbraw/zinc/42/02/11/1069420211.db2.gz IMKWMWGLJUGOTF-AWEZNQCLSA-N 2 0 453.569 -0.161 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)c2nonc21 ZINC001161153473 1069420079 /nfs/dbraw/zinc/42/00/79/1069420079.db2.gz JNIDQGYZCTYLMT-JLTOFOAXSA-N 2 0 463.564 -0.679 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)c2nonc21 ZINC001161153722 1069419960 /nfs/dbraw/zinc/41/99/60/1069419960.db2.gz OSNAAHZDYOYPKL-HNNXBMFYSA-N 2 0 477.591 -0.004 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)c2nonc21 ZINC001161153724 1069420107 /nfs/dbraw/zinc/42/01/07/1069420107.db2.gz OSNAAHZDYOYPKL-OAHLLOKOSA-N 2 0 477.591 -0.004 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC2)c2nonc21 ZINC001161154058 1069420829 /nfs/dbraw/zinc/42/08/29/1069420829.db2.gz TZKQAUXIYTXKAF-INIZCTEOSA-N 2 0 451.553 -0.551 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC2)c2nonc21 ZINC001161154059 1069420653 /nfs/dbraw/zinc/42/06/53/1069420653.db2.gz TZKQAUXIYTXKAF-MRXNPFEDSA-N 2 0 451.553 -0.551 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)c2nonc21 ZINC001161154402 1069421203 /nfs/dbraw/zinc/42/12/03/1069421203.db2.gz ZOFGIYSLISZBEM-LBPRGKRZSA-N 2 0 457.582 -0.859 20 0 JBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161159156 1069421451 /nfs/dbraw/zinc/42/14/51/1069421451.db2.gz WTEMJKAXJJLFSW-RXVVDRJESA-N 2 0 463.579 -0.446 20 0 JBADRP CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@H]2C1 ZINC001161174795 1069421949 /nfs/dbraw/zinc/42/19/49/1069421949.db2.gz FXKPGXRFACTOGK-GHHWKCCRSA-N 2 0 455.575 -0.312 20 0 JBADRP CCC[NH+]1C[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@@H]2C1 ZINC001161174796 1069422102 /nfs/dbraw/zinc/42/21/02/1069422102.db2.gz FXKPGXRFACTOGK-LLYLOPHFSA-N 2 0 455.575 -0.312 20 0 JBADRP CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@H]2C1 ZINC001161174798 1069422084 /nfs/dbraw/zinc/42/20/84/1069422084.db2.gz FXKPGXRFACTOGK-NEHHDPPZSA-N 2 0 455.575 -0.312 20 0 JBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161192337 1069422601 /nfs/dbraw/zinc/42/26/01/1069422601.db2.gz PZMGMMYKGKFVQZ-FQEVSTJZSA-N 2 0 461.611 -0.136 20 0 JBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196593 1069422552 /nfs/dbraw/zinc/42/25/52/1069422552.db2.gz NYLLCWOKWQSGDK-FQEVSTJZSA-N 2 0 456.653 -0.049 20 0 JBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196594 1069422647 /nfs/dbraw/zinc/42/26/47/1069422647.db2.gz NYLLCWOKWQSGDK-HXUWFJFHSA-N 2 0 456.653 -0.049 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198095 1069422514 /nfs/dbraw/zinc/42/25/14/1069422514.db2.gz LHXWWQHWDBWDHW-VXKWHMMOSA-N 3 0 466.671 -0.016 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198743 1069422746 /nfs/dbraw/zinc/42/27/46/1069422746.db2.gz WMDCJMHNJIWNMC-GOTSBHOMSA-N 2 0 491.633 -0.710 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001161302969 1069424919 /nfs/dbraw/zinc/42/49/19/1069424919.db2.gz RBAHGZDUTYOWTD-UHFFFAOYSA-N 2 0 486.495 -0.907 20 0 JBADRP Cc1c[nH+]ccc1N1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001161306221 1069424933 /nfs/dbraw/zinc/42/49/33/1069424933.db2.gz HPELARFIISKYOH-FIKGOQFSSA-N 2 0 478.569 -0.060 20 0 JBADRP COc1cc(C)nc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C2CC[NH2+]CC2)n1 ZINC001161308812 1069424947 /nfs/dbraw/zinc/42/49/47/1069424947.db2.gz IJKRZLFRVGAQHN-OALUTQOASA-N 2 0 472.546 -0.369 20 0 JBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354742 1069424913 /nfs/dbraw/zinc/42/49/13/1069424913.db2.gz RXKUDZYUOPTQCP-INIZCTEOSA-N 2 0 454.574 -0.391 20 0 JBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354743 1069424789 /nfs/dbraw/zinc/42/47/89/1069424789.db2.gz RXKUDZYUOPTQCP-MRXNPFEDSA-N 2 0 454.574 -0.391 20 0 JBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161355177 1069425708 /nfs/dbraw/zinc/42/57/08/1069425708.db2.gz YKLYSOIBPFWIEP-KRWDZBQOSA-N 2 0 472.575 -0.230 20 0 JBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161355178 1069425587 /nfs/dbraw/zinc/42/55/87/1069425587.db2.gz YKLYSOIBPFWIEP-QGZVFWFLSA-N 2 0 472.575 -0.230 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161360279 1069425678 /nfs/dbraw/zinc/42/56/78/1069425678.db2.gz YEXKGMHBTZMHSE-KXBFYZLASA-N 2 0 492.602 -0.714 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380033 1069425695 /nfs/dbraw/zinc/42/56/95/1069425695.db2.gz ITDNOALTNTZPNJ-FUDKSRODSA-N 2 0 472.634 -0.163 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380035 1069425627 /nfs/dbraw/zinc/42/56/27/1069425627.db2.gz ITDNOALTNTZPNJ-GIWBLDEGSA-N 2 0 472.634 -0.163 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381808 1069425737 /nfs/dbraw/zinc/42/57/37/1069425737.db2.gz ZQNDWGJSYPCTCP-LEAZDLGRSA-N 2 0 450.628 -0.121 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381817 1069425653 /nfs/dbraw/zinc/42/56/53/1069425653.db2.gz ZQNDWGJSYPCTCP-RNQOJCNYSA-N 2 0 450.628 -0.121 20 0 JBADRP COc1ccnc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C2CC[NH2+]CC2)c1 ZINC001161385851 1069425640 /nfs/dbraw/zinc/42/56/40/1069425640.db2.gz IYLKRNBMXDOXHT-PMACEKPBSA-N 2 0 457.531 -0.072 20 0 JBADRP COc1cc(N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C2CC[NH2+]CC2)ccn1 ZINC001161386767 1069425728 /nfs/dbraw/zinc/42/57/28/1069425728.db2.gz VAAAYHJYWANZSZ-PMACEKPBSA-N 2 0 457.531 -0.072 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1)C(=O)CF ZINC001161389635 1069425592 /nfs/dbraw/zinc/42/55/92/1069425592.db2.gz RIEVHDNXJRBAKS-BOSXTWCSSA-N 2 0 471.574 -0.789 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)C(=O)CF ZINC001161389636 1069425686 /nfs/dbraw/zinc/42/56/86/1069425686.db2.gz RIEVHDNXJRBAKS-CLWJZODNSA-N 2 0 471.574 -0.789 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1)C(=O)CF ZINC001161444089 1069426593 /nfs/dbraw/zinc/42/65/93/1069426593.db2.gz BNLLYRSZZBCQDI-BOSXTWCSSA-N 3 0 472.606 -0.970 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1)C(=O)CF ZINC001161444090 1069426542 /nfs/dbraw/zinc/42/65/42/1069426542.db2.gz BNLLYRSZZBCQDI-CLWJZODNSA-N 3 0 472.606 -0.970 20 0 JBADRP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448451 1069426523 /nfs/dbraw/zinc/42/65/23/1069426523.db2.gz CENVONSCYDSHTM-AABGKKOBSA-N 2 0 464.611 -0.753 20 0 JBADRP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448452 1069426405 /nfs/dbraw/zinc/42/64/05/1069426405.db2.gz CENVONSCYDSHTM-UFYCRDLUSA-N 2 0 464.611 -0.753 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448479 1069426421 /nfs/dbraw/zinc/42/64/21/1069426421.db2.gz CMOHVYDVJLAYML-MUGJNUQGSA-N 3 0 452.644 -0.002 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448480 1069426509 /nfs/dbraw/zinc/42/65/09/1069426509.db2.gz CMOHVYDVJLAYML-YRPNKDGESA-N 3 0 452.644 -0.002 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449708 1069426335 /nfs/dbraw/zinc/42/63/35/1069426335.db2.gz QCLJPPCIGBLGBZ-FUDKSRODSA-N 3 0 474.650 -0.044 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449709 1069426486 /nfs/dbraw/zinc/42/64/86/1069426486.db2.gz QCLJPPCIGBLGBZ-GIWBLDEGSA-N 3 0 474.650 -0.044 20 0 JBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476440 1069426259 /nfs/dbraw/zinc/42/62/59/1069426259.db2.gz ATKIZRIOWSJUNX-ACTFIFLWSA-N 2 0 451.568 -0.861 20 0 JBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476441 1069426585 /nfs/dbraw/zinc/42/65/85/1069426585.db2.gz ATKIZRIOWSJUNX-DOWNOZBLSA-N 2 0 451.568 -0.861 20 0 JBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476442 1069426463 /nfs/dbraw/zinc/42/64/63/1069426463.db2.gz ATKIZRIOWSJUNX-FSTVOOFJSA-N 2 0 451.568 -0.861 20 0 JBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001161476443 1069426880 /nfs/dbraw/zinc/42/68/80/1069426880.db2.gz ATKIZRIOWSJUNX-NRVIRDBHSA-N 2 0 451.568 -0.861 20 0 JBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161481018 1069427279 /nfs/dbraw/zinc/42/72/79/1069427279.db2.gz RDGMIAZQHKGXBG-AQBJMCTPSA-N 2 0 465.595 -0.391 20 0 JBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161481019 1069427048 /nfs/dbraw/zinc/42/70/48/1069427048.db2.gz RDGMIAZQHKGXBG-CKBXSBTMSA-N 2 0 465.595 -0.391 20 0 JBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161481020 1069427205 /nfs/dbraw/zinc/42/72/05/1069427205.db2.gz RDGMIAZQHKGXBG-IUUWJXCHSA-N 2 0 465.595 -0.391 20 0 JBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001161481021 1069426998 /nfs/dbraw/zinc/42/69/98/1069426998.db2.gz RDGMIAZQHKGXBG-JHWSBEJJSA-N 2 0 465.595 -0.391 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161500124 1069427733 /nfs/dbraw/zinc/42/77/33/1069427733.db2.gz OKPMNHISKBXISL-VCOUNFBDSA-N 2 0 459.591 -0.255 20 0 JBADRP COC(=O)c1cc(Oc2cnc(N3CC[NH2+]CC3)nc2)nc(N(CC[NH3+])S(C)(=O)=O)c1 ZINC001162124110 1069438407 /nfs/dbraw/zinc/43/84/07/1069438407.db2.gz NGTVHVRWIJNTCD-UHFFFAOYSA-N 2 0 451.509 -0.415 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncnc2c1CC[NH2+]CC2)C(N)=O ZINC001162856122 1069444381 /nfs/dbraw/zinc/44/43/81/1069444381.db2.gz XMFIPUKWKNAFOR-UFYCRDLUSA-N 2 0 488.637 -0.309 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc2c(nn1)CC[NH2+]C2)C(N)=O ZINC001162858399 1069444462 /nfs/dbraw/zinc/44/44/62/1069444462.db2.gz FBAYWJZDVUXYJR-BJLQDIEVSA-N 2 0 474.610 -0.351 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncnc2c1CC[NH2+]C2)C(N)=O ZINC001162858546 1069445132 /nfs/dbraw/zinc/44/51/32/1069445132.db2.gz HLZLLUOVEQQUMK-WDSOQIARSA-N 2 0 474.610 -0.351 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncc2c(n1)C[NH2+]C2)C(N)=O ZINC001162858644 1069445057 /nfs/dbraw/zinc/44/50/57/1069445057.db2.gz MELQMMCDDPEPOJ-SZMVWBNQSA-N 2 0 460.583 -0.394 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncc2c(n1)CC[NH2+]C2)C(N)=O ZINC001162858842 1069445614 /nfs/dbraw/zinc/44/56/14/1069445614.db2.gz WBWTXOHUAMPDLR-FHWLQOOXSA-N 2 0 474.610 -0.351 20 0 JBADRP Cc1cnc(N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)nc1C1C[NH2+]C1 ZINC001162861521 1069445731 /nfs/dbraw/zinc/44/57/31/1069445731.db2.gz AGEOGPOEBWHKPV-FHWLQOOXSA-N 2 0 488.637 -0.002 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc(C2C[NH2+]C2)ncn1)C(N)=O ZINC001162862877 1069445637 /nfs/dbraw/zinc/44/56/37/1069445637.db2.gz XEYFURUZBYASDF-QRFRQXIXSA-N 2 0 474.610 -0.310 20 0 JBADRP COC(=O)c1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001163240367 1069450955 /nfs/dbraw/zinc/45/09/55/1069450955.db2.gz YILIUKBPZQKRNY-BTYIYWSLSA-N 2 0 454.491 -0.150 20 0 JBADRP COC(=O)c1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001163240372 1069450892 /nfs/dbraw/zinc/45/08/92/1069450892.db2.gz YILIUKBPZQKRNY-QVKFZJNVSA-N 2 0 454.491 -0.150 20 0 JBADRP COC(=O)c1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001163240375 1069450905 /nfs/dbraw/zinc/45/09/05/1069450905.db2.gz YILIUKBPZQKRNY-VFNWGFHPSA-N 2 0 454.491 -0.150 20 0 JBADRP COC(=O)c1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001163240377 1069450945 /nfs/dbraw/zinc/45/09/45/1069450945.db2.gz YILIUKBPZQKRNY-YCRPNKLZSA-N 2 0 454.491 -0.150 20 0 JBADRP NC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163427061 1069451556 /nfs/dbraw/zinc/45/15/56/1069451556.db2.gz HSAWXPWYUHXJSY-ICSRJNTNSA-N 2 0 473.541 -0.128 20 0 JBADRP NC(=O)[C@H](Cc1cn(-c2ncnc3c2CC[NH2+]CC3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163427066 1069451456 /nfs/dbraw/zinc/45/14/56/1069451456.db2.gz GRSGFPCDNAGEBS-FPOVZHCZSA-N 2 0 487.568 -0.086 20 0 JBADRP NC(=O)[C@H](Cc1cn(-c2ncc3c(n2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163427992 1069451434 /nfs/dbraw/zinc/45/14/34/1069451434.db2.gz PDVRQUQDTJFTBG-ICSRJNTNSA-N 2 0 473.541 -0.128 20 0 JBADRP NC(=O)[C@H](Cc1cn(-c2ncnc3c2CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163428726 1069451628 /nfs/dbraw/zinc/45/16/28/1069451628.db2.gz SQKWRQUGIFFNSS-OALUTQOASA-N 2 0 473.541 -0.128 20 0 JBADRP NC(=O)[C@H](Cc1cn(-c2cc(C3C[NH2+]C3)ncn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163433725 1069453124 /nfs/dbraw/zinc/45/31/24/1069453124.db2.gz QLSLUOFUQQUKOD-ICSRJNTNSA-N 2 0 473.541 -0.087 20 0 JBADRP CSc1cnc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163437988 1069453752 /nfs/dbraw/zinc/45/37/52/1069453752.db2.gz AVSCKALGYBVLFP-STQMWFEESA-N 2 0 498.013 -0.877 20 0 JBADRP Cc1cccc2ccnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c12 ZINC001163437991 1069453706 /nfs/dbraw/zinc/45/37/06/1069453706.db2.gz BAKQHDVRUCCTAU-OALUTQOASA-N 2 0 480.573 -0.186 20 0 JBADRP CCc1cc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)o1 ZINC001163438002 1069453882 /nfs/dbraw/zinc/45/38/82/1069453882.db2.gz BMMZHTGQWPKLPH-ROUUACIJSA-N 2 0 484.561 -0.339 20 0 JBADRP CSCc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438028 1069453605 /nfs/dbraw/zinc/45/36/05/1069453605.db2.gz CAUPJRPVGUVGNI-IRXDYDNUSA-N 2 0 476.607 -0.785 20 0 JBADRP Cc1cc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)o1 ZINC001163438036 1069453648 /nfs/dbraw/zinc/45/36/48/1069453648.db2.gz CHAHGTOILSIZQS-IRXDYDNUSA-N 2 0 470.534 -0.593 20 0 JBADRP Cc1cc2ccccc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438040 1069453821 /nfs/dbraw/zinc/45/38/21/1069453821.db2.gz CILPEFGTLZNENR-PMACEKPBSA-N 2 0 480.573 -0.186 20 0 JBADRP CSc1cc(Cl)cnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438045 1069453739 /nfs/dbraw/zinc/45/37/39/1069453739.db2.gz CNLKAHKEPUMDTB-GJZGRUSLSA-N 2 0 497.025 -0.272 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nncc3ccc(F)cc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438076 1069453913 /nfs/dbraw/zinc/45/39/13/1069453913.db2.gz CVYAJMPXTJYPDN-ROUUACIJSA-N 2 0 485.524 -0.960 20 0 JBADRP Cc1cc(Cl)c(C)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438079 1069453667 /nfs/dbraw/zinc/45/36/67/1069453667.db2.gz CZQXPQYJXDMUOR-IRXDYDNUSA-N 2 0 478.985 -0.377 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2c(Cl)ccnc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438081 1069453928 /nfs/dbraw/zinc/45/39/28/1069453928.db2.gz DDANDVJGAQCLAY-KBPBESRZSA-N 2 0 485.376 -0.341 20 0 JBADRP Cc1cccc2c1ccnc2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438097 1069453684 /nfs/dbraw/zinc/45/36/84/1069453684.db2.gz DEAAAGFYMMNPMU-PMACEKPBSA-N 2 0 480.573 -0.186 20 0 JBADRP Cc1c(Cl)cnc(Cl)c1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438098 1069453902 /nfs/dbraw/zinc/45/39/02/1069453902.db2.gz DENUZAHADHAHHB-GJZGRUSLSA-N 2 0 499.403 -0.032 20 0 JBADRP CCCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163438107 1069453724 /nfs/dbraw/zinc/45/37/24/1069453724.db2.gz DHPHJWZTBBXZAB-ROUUACIJSA-N 2 0 473.582 -0.992 20 0 JBADRP COc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)c1 ZINC001163438146 1069454360 /nfs/dbraw/zinc/45/43/60/1069454360.db2.gz DYMKPISGHMEGAD-HOTGVXAUSA-N 2 0 480.957 -0.986 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)Oc2cccc(Cl)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438147 1069454540 /nfs/dbraw/zinc/45/45/40/1069454540.db2.gz DYOURHJLCBNUSN-PJSUUKDQSA-N 2 0 498.947 -0.479 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)Oc2cccc(Cl)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438148 1069454461 /nfs/dbraw/zinc/45/44/61/1069454461.db2.gz DYOURHJLCBNUSN-YRVVQQKDSA-N 2 0 498.947 -0.479 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)c2ccnc(Cl)c2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438153 1069454555 /nfs/dbraw/zinc/45/45/55/1069454555.db2.gz FDYZLVHYXLXXLV-MPGHIAIKSA-N 2 0 482.948 -0.467 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)c2ccnc(Cl)c2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438154 1069454496 /nfs/dbraw/zinc/45/44/96/1069454496.db2.gz FDYZLVHYXLXXLV-RLFYNMQTSA-N 2 0 482.948 -0.467 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3ccccc3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438160 1069454351 /nfs/dbraw/zinc/45/43/51/1069454351.db2.gz FJDGUQGKUWMNEE-ICSRJNTNSA-N 2 0 493.572 -0.586 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3ccc(F)cc3cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438278 1069454602 /nfs/dbraw/zinc/45/46/02/1069454602.db2.gz FTLLMICRVMUAQA-OALUTQOASA-N 2 0 484.536 -0.355 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3occc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438286 1069454570 /nfs/dbraw/zinc/45/45/70/1069454570.db2.gz FWEAPUOHZQEOQO-HOCLYGCPSA-N 2 0 456.507 -0.901 20 0 JBADRP Cc1nnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c2ccccc12 ZINC001163438313 1069454341 /nfs/dbraw/zinc/45/43/41/1069454341.db2.gz GNVLLMYEKUWRIX-OALUTQOASA-N 2 0 481.561 -0.791 20 0 JBADRP Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1Cl ZINC001163438314 1069454409 /nfs/dbraw/zinc/45/44/09/1069454409.db2.gz AGRQPSIXACRZJU-HOTGVXAUSA-N 2 0 464.958 -0.686 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccsc3)nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438318 1069454584 /nfs/dbraw/zinc/45/45/84/1069454584.db2.gz GNYTWTHLHVRBRY-WMZOPIPTSA-N 2 0 499.601 -0.524 20 0 JBADRP Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)c1Cl ZINC001163438322 1069454422 /nfs/dbraw/zinc/45/44/22/1069454422.db2.gz GQJBSMPWGARKFF-GJZGRUSLSA-N 2 0 479.973 -0.982 20 0 JBADRP Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ccc1Cl ZINC001163438324 1069454595 /nfs/dbraw/zinc/45/45/95/1069454595.db2.gz ALHPAGPPSBKWHY-HOTGVXAUSA-N 2 0 464.958 -0.686 20 0 JBADRP CC(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438335 1069454375 /nfs/dbraw/zinc/45/43/75/1069454375.db2.gz GSJWIARTOADOKK-ROUUACIJSA-N 2 0 458.567 -0.524 20 0 JBADRP CSCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438369 1069454392 /nfs/dbraw/zinc/45/43/92/1069454392.db2.gz HIMPOKGGEBIFPF-IRXDYDNUSA-N 2 0 476.607 -0.785 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3ccc(F)cc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438374 1069454479 /nfs/dbraw/zinc/45/44/79/1069454479.db2.gz BGWHQAYDAYCEBC-YJBOKZPZSA-N 2 0 485.524 -0.960 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cccc(F)c32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438375 1069454610 /nfs/dbraw/zinc/45/46/10/1069454610.db2.gz HRNNDKNQIBCNGD-RDJZCZTQSA-N 2 0 485.524 -0.960 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(F)cc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438414 1069454517 /nfs/dbraw/zinc/45/45/17/1069454517.db2.gz BNSQEIGKEJWAEP-GJZGRUSLSA-N 2 0 468.921 -0.855 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3cc(F)ccc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438423 1069454443 /nfs/dbraw/zinc/45/44/43/1069454443.db2.gz BOYIKXVRAMQAQA-HKUYNNGSSA-N 2 0 484.536 -0.355 20 0 JBADRP CC(C)(C)Oc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438424 1069455055 /nfs/dbraw/zinc/45/50/55/1069455055.db2.gz ITHHBAWJXQLTQG-IRXDYDNUSA-N 2 0 488.593 -0.470 20 0 JBADRP Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C(C)(C)C)n1 ZINC001163438434 1069455144 /nfs/dbraw/zinc/45/51/44/1069455144.db2.gz JBAKDNHDAXWELP-IRXDYDNUSA-N 2 0 487.609 -0.647 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)Oc2ccc(Cl)nc2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438443 1069455135 /nfs/dbraw/zinc/45/51/35/1069455135.db2.gz JBJVDPJOMXHHTH-AUSJPIAWSA-N 2 0 498.947 -0.479 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)Oc2ccc(Cl)nc2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438445 1069455193 /nfs/dbraw/zinc/45/51/93/1069455193.db2.gz JBJVDPJOMXHHTH-AVYPCKFXSA-N 2 0 498.947 -0.479 20 0 JBADRP CC(C)(C)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438456 1069455185 /nfs/dbraw/zinc/45/51/85/1069455185.db2.gz BYAFRMBGRBOHFR-HOTGVXAUSA-N 2 0 473.582 -0.955 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)Oc2ccnc(Cl)c2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438465 1069455124 /nfs/dbraw/zinc/45/51/24/1069455124.db2.gz CESNBHRUWXTQCS-AUSJPIAWSA-N 2 0 498.947 -0.479 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)Oc2ccnc(Cl)c2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438467 1069455163 /nfs/dbraw/zinc/45/51/63/1069455163.db2.gz CESNBHRUWXTQCS-AVYPCKFXSA-N 2 0 498.947 -0.479 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(Cl)cc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438470 1069455174 /nfs/dbraw/zinc/45/51/74/1069455174.db2.gz CFQIHISASCIWKO-GJZGRUSLSA-N 2 0 485.376 -0.341 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3ccccc3cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438477 1069455207 /nfs/dbraw/zinc/45/52/07/1069455207.db2.gz CGXCJAMCRBAMKC-OALUTQOASA-N 2 0 466.546 -0.494 20 0 JBADRP COc1ccc2ccnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438478 1069455087 /nfs/dbraw/zinc/45/50/87/1069455087.db2.gz JMGCASTXQWTHKO-PMACEKPBSA-N 2 0 496.572 -0.486 20 0 JBADRP CSc1cnc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438482 1069455013 /nfs/dbraw/zinc/45/50/13/1069455013.db2.gz JMLSVTHFWZYVSI-STQMWFEESA-N 2 0 498.013 -0.877 20 0 JBADRP Cc1cc(Cl)c(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438484 1069455150 /nfs/dbraw/zinc/45/51/50/1069455150.db2.gz JMRMGLDKCNQCFL-IRXDYDNUSA-N 2 0 478.985 -0.377 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc(Cl)c3ccoc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438488 1069455033 /nfs/dbraw/zinc/45/50/33/1069455033.db2.gz JRQMMJXWXGWICD-KBPBESRZSA-N 2 0 491.940 -0.853 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(C3CCC3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438491 1069454968 /nfs/dbraw/zinc/45/49/68/1069454968.db2.gz JSQVEGXJSINMGY-WMZOPIPTSA-N 2 0 471.566 -0.985 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)cnc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438498 1069455114 /nfs/dbraw/zinc/45/51/14/1069455114.db2.gz CORDKXAGWMUPMT-RYUDHWBXSA-N 2 0 486.364 -0.946 20 0 JBADRP Cc1csc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc12 ZINC001163438502 1069455098 /nfs/dbraw/zinc/45/50/98/1069455098.db2.gz JXWMEXLNJIXKMZ-GJZGRUSLSA-N 2 0 487.590 -0.729 20 0 JBADRP Cc1cc2cccnc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438505 1069454948 /nfs/dbraw/zinc/45/49/48/1069454948.db2.gz KAAVIDAWWXHGSR-ROUUACIJSA-N 2 0 481.561 -0.791 20 0 JBADRP Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(-c2ccco2)n1 ZINC001163438508 1069455069 /nfs/dbraw/zinc/45/50/69/1069455069.db2.gz KBNNGIFEUUHYKP-IRXDYDNUSA-N 2 0 497.560 -0.684 20 0 JBADRP CC(C)c1c(Cl)ncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438516 1069454995 /nfs/dbraw/zinc/45/49/95/1069454995.db2.gz KFCBVCIDZJLJOJ-GJZGRUSLSA-N 2 0 494.000 -0.476 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438517 1069455725 /nfs/dbraw/zinc/45/57/25/1069455725.db2.gz CVUJYVDFFOQXKN-OALUTQOASA-N 2 0 466.546 -0.494 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc(-c3ccccc3)cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438519 1069455763 /nfs/dbraw/zinc/45/57/63/1069455763.db2.gz KFZHAVSNDGTTML-OALUTQOASA-N 2 0 493.572 -0.586 20 0 JBADRP Cc1nc2cc(F)ccc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438520 1069455647 /nfs/dbraw/zinc/45/56/47/1069455647.db2.gz CYNAIJWVXMXLBN-HKUYNNGSSA-N 2 0 499.551 -0.652 20 0 JBADRP COc1cccc2c1ccnc2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438522 1069455683 /nfs/dbraw/zinc/45/56/83/1069455683.db2.gz KIXPDXRRBSNXLZ-OALUTQOASA-N 2 0 496.572 -0.486 20 0 JBADRP Cc1nc2sccc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438523 1069455540 /nfs/dbraw/zinc/45/55/40/1069455540.db2.gz CZYPPKQCXNCPHA-HOTGVXAUSA-N 2 0 487.590 -0.729 20 0 JBADRP COc1cc(Cl)cnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438542 1069455844 /nfs/dbraw/zinc/45/58/44/1069455844.db2.gz DRQBUTSUHJZROZ-GJZGRUSLSA-N 2 0 480.957 -0.986 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3occc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438545 1069455802 /nfs/dbraw/zinc/45/58/02/1069455802.db2.gz DTQYOMBINNYSJG-HOTGVXAUSA-N 2 0 456.507 -0.901 20 0 JBADRP Cc1cccc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc12 ZINC001163438548 1069455831 /nfs/dbraw/zinc/45/58/31/1069455831.db2.gz DZBZWPZGEPFGHY-OALUTQOASA-N 2 0 480.573 -0.186 20 0 JBADRP Cc1ccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438553 1069455514 /nfs/dbraw/zinc/45/55/14/1069455514.db2.gz FEYZATNLRUEJIR-HKUYNNGSSA-N 2 0 481.561 -0.791 20 0 JBADRP Cc1ccc2ccnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438696 1069455591 /nfs/dbraw/zinc/45/55/91/1069455591.db2.gz KQKGRVRRLDXSBO-PMACEKPBSA-N 2 0 480.573 -0.186 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3cc(F)ccc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438716 1069455666 /nfs/dbraw/zinc/45/56/66/1069455666.db2.gz LDZGWWLXIVGPGL-WMZOPIPTSA-N 2 0 485.524 -0.960 20 0 JBADRP Cc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)ncc2c1 ZINC001163438721 1069455742 /nfs/dbraw/zinc/45/57/42/1069455742.db2.gz LGVZQUPIPHYYOQ-HKUYNNGSSA-N 2 0 481.561 -0.791 20 0 JBADRP CSc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438722 1069455857 /nfs/dbraw/zinc/45/58/57/1069455857.db2.gz LIBIZHNBPQQANB-HOTGVXAUSA-N 2 0 462.580 -0.926 20 0 JBADRP Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc12 ZINC001163438774 1069455817 /nfs/dbraw/zinc/45/58/17/1069455817.db2.gz LZLHISBVYXYCNZ-ICSRJNTNSA-N 2 0 480.573 -0.186 20 0 JBADRP Cc1csc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c12 ZINC001163438777 1069455707 /nfs/dbraw/zinc/45/57/07/1069455707.db2.gz GOMJMYZYJBTDFS-GJZGRUSLSA-N 2 0 487.590 -0.729 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccc(C3CC3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438778 1069455626 /nfs/dbraw/zinc/45/56/26/1069455626.db2.gz MAHDXQWDMBLREJ-WMZOPIPTSA-N 2 0 456.551 -0.770 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccc(F)cc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438784 1069455781 /nfs/dbraw/zinc/45/57/81/1069455781.db2.gz MARSZDKJJHUQTD-OALUTQOASA-N 2 0 484.536 -0.355 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(F)c3ccccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438806 1069456596 /nfs/dbraw/zinc/45/65/96/1069456596.db2.gz MJCCKXIAKOQJLV-OALUTQOASA-N 2 0 484.536 -0.355 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(Cl)cc2F)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438831 1069455565 /nfs/dbraw/zinc/45/55/65/1069455565.db2.gz GVHXUVKPITYUDB-GJZGRUSLSA-N 2 0 468.921 -0.855 20 0 JBADRP CSc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438832 1069456468 /nfs/dbraw/zinc/45/64/68/1069456468.db2.gz MQMDOQLLGNKEGR-GJZGRUSLSA-N 2 0 462.580 -0.926 20 0 JBADRP COc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ccc1Cl ZINC001163438836 1069456281 /nfs/dbraw/zinc/45/62/81/1069456281.db2.gz MRUFRICEUKTPDL-GJZGRUSLSA-N 2 0 480.957 -0.986 20 0 JBADRP COc1ccc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438845 1069456477 /nfs/dbraw/zinc/45/64/77/1069456477.db2.gz MXGRJBAHICKSMC-GJZGRUSLSA-N 2 0 480.957 -0.986 20 0 JBADRP CCSc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438855 1069456317 /nfs/dbraw/zinc/45/63/17/1069456317.db2.gz NEBRLPGOMGWAKW-IRXDYDNUSA-N 2 0 476.607 -0.536 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccsc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438859 1069456538 /nfs/dbraw/zinc/45/65/38/1069456538.db2.gz HHRTUXAKINYTBD-HOTGVXAUSA-N 2 0 472.575 -0.433 20 0 JBADRP Cc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)ccc2c1 ZINC001163438873 1069456299 /nfs/dbraw/zinc/45/62/99/1069456299.db2.gz HMGMXXSOFDLVRR-ICSRJNTNSA-N 2 0 480.573 -0.186 20 0 JBADRP Cc1ccc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438877 1069456446 /nfs/dbraw/zinc/45/64/46/1069456446.db2.gz HNUAAOQOQTYQCE-GJZGRUSLSA-N 2 0 464.958 -0.686 20 0 JBADRP Cc1nc2ccc(F)cc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438882 1069456488 /nfs/dbraw/zinc/45/64/88/1069456488.db2.gz HTAGNSVZBLVBAC-HKUYNNGSSA-N 2 0 499.551 -0.652 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3cccc(F)c3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438904 1069456337 /nfs/dbraw/zinc/45/63/37/1069456337.db2.gz ONSKNPPMQPBZNG-ROUUACIJSA-N 2 0 484.536 -0.355 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)cc(C3CC3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438912 1069456566 /nfs/dbraw/zinc/45/65/66/1069456566.db2.gz OUHSMCSWJXVSNF-HOCLYGCPSA-N 2 0 491.984 -0.722 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)cc(Cl)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438914 1069456431 /nfs/dbraw/zinc/45/64/31/1069456431.db2.gz IJWUMBQBKDBUGZ-KBPBESRZSA-N 2 0 485.376 -0.341 20 0 JBADRP COc1ccc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438915 1069456553 /nfs/dbraw/zinc/45/65/53/1069456553.db2.gz IKEJRVMYALIGQS-PMACEKPBSA-N 2 0 496.572 -0.486 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(C3CC3)ccn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438918 1069456583 /nfs/dbraw/zinc/45/65/83/1069456583.db2.gz OVCDECSDCQBIFE-ROUUACIJSA-N 2 0 456.551 -0.770 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)ncc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438924 1069456509 /nfs/dbraw/zinc/45/65/09/1069456509.db2.gz IQEPJRDWJYZEIP-STQMWFEESA-N 2 0 486.364 -0.946 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc(-c3ccccc3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438929 1069456524 /nfs/dbraw/zinc/45/65/24/1069456524.db2.gz IXERAPHYZXGWBS-OALUTQOASA-N 2 0 493.572 -0.586 20 0 JBADRP Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1Cl ZINC001163438932 1069456358 /nfs/dbraw/zinc/45/63/58/1069456358.db2.gz JAIGNNALHMKSNZ-GJZGRUSLSA-N 2 0 464.958 -0.686 20 0 JBADRP Cc1cc2ccccc2nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438937 1069457138 /nfs/dbraw/zinc/45/71/38/1069457138.db2.gz JJOQRWAASHXSTC-ICSRJNTNSA-N 2 0 480.573 -0.186 20 0 JBADRP Cc1cc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438945 1069457114 /nfs/dbraw/zinc/45/71/14/1069457114.db2.gz JUVDXHCGCLCXBN-HOTGVXAUSA-N 2 0 464.958 -0.686 20 0 JBADRP Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc12 ZINC001163438951 1069457067 /nfs/dbraw/zinc/45/70/67/1069457067.db2.gz KJBPBJNHHSTVQZ-HKUYNNGSSA-N 2 0 481.561 -0.791 20 0 JBADRP COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc21 ZINC001163439122 1069456409 /nfs/dbraw/zinc/45/64/09/1069456409.db2.gz PCLCYCUKXPAIKJ-HKUYNNGSSA-N 2 0 496.572 -0.486 20 0 JBADRP CCCCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439125 1069456391 /nfs/dbraw/zinc/45/63/91/1069456391.db2.gz PDLIHQCRBNWPFZ-ROUUACIJSA-N 2 0 473.582 -0.910 20 0 JBADRP CC(C)Sc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439144 1069457148 /nfs/dbraw/zinc/45/71/48/1069457148.db2.gz PPDPBDKGMBSYDU-HOTGVXAUSA-N 2 0 491.622 -0.752 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3cccs3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439146 1069457084 /nfs/dbraw/zinc/45/70/84/1069457084.db2.gz PQMQZUFZZPJCBP-RDJZCZTQSA-N 2 0 499.601 -0.524 20 0 JBADRP Cc1cc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c2cc1C ZINC001163439166 1069457259 /nfs/dbraw/zinc/45/72/59/1069457259.db2.gz QBFOEAMFBFDFLV-ICSRJNTNSA-N 2 0 495.588 -0.483 20 0 JBADRP CCCSc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439178 1069457219 /nfs/dbraw/zinc/45/72/19/1069457219.db2.gz QDDXPWHZRUCMCH-HOTGVXAUSA-N 2 0 491.622 -0.751 20 0 JBADRP COc1ccc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439236 1069456994 /nfs/dbraw/zinc/45/69/94/1069456994.db2.gz QMLLMUSSYQRIBM-KBPBESRZSA-N 2 0 480.957 -0.986 20 0 JBADRP Cc1nc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163439244 1069457245 /nfs/dbraw/zinc/45/72/45/1069457245.db2.gz MCYVGOIRDRSKRM-GJZGRUSLSA-N 2 0 479.973 -0.982 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)nc(C3CC3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439249 1069457192 /nfs/dbraw/zinc/45/71/92/1069457192.db2.gz MFBVNFRKIAELLJ-GJZGRUSLSA-N 2 0 491.984 -0.722 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccncc3)cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439262 1069457179 /nfs/dbraw/zinc/45/71/79/1069457179.db2.gz QWKPJACHOOYCBY-PMACEKPBSA-N 2 0 493.572 -0.586 20 0 JBADRP Cc1ccc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439267 1069456940 /nfs/dbraw/zinc/45/69/40/1069456940.db2.gz MIHPFBIBOMVSIO-HOTGVXAUSA-N 2 0 464.958 -0.686 20 0 JBADRP CCOc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439271 1069457206 /nfs/dbraw/zinc/45/72/06/1069457206.db2.gz RAHJUGYYKRVUMH-HOTGVXAUSA-N 2 0 494.984 -0.596 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)ncc2F)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439274 1069456969 /nfs/dbraw/zinc/45/69/69/1069456969.db2.gz RAPJSKAPBNMGQZ-KBPBESRZSA-N 2 0 468.921 -0.855 20 0 JBADRP CC(C)(C)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439275 1069457128 /nfs/dbraw/zinc/45/71/28/1069457128.db2.gz RAQFOUOTFLNBNI-HOTGVXAUSA-N 2 0 473.582 -0.955 20 0 JBADRP CSc1ncc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439280 1069457040 /nfs/dbraw/zinc/45/70/40/1069457040.db2.gz RCKCYVAVCCGMFR-STQMWFEESA-N 2 0 498.013 -0.877 20 0 JBADRP CSc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439282 1069457163 /nfs/dbraw/zinc/45/71/63/1069457163.db2.gz REIKEMVEOBEMGB-GJZGRUSLSA-N 2 0 462.580 -0.926 20 0 JBADRP CC(C)Oc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439298 1069457230 /nfs/dbraw/zinc/45/72/30/1069457230.db2.gz RJHSQDQEZHLAAV-IRXDYDNUSA-N 2 0 474.566 -0.860 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc(Cl)cc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439335 1069457775 /nfs/dbraw/zinc/45/77/75/1069457775.db2.gz NJJJDDFFWYGULR-STQMWFEESA-N 2 0 486.364 -0.946 20 0 JBADRP Cc1cc2ccncc2nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439345 1069457099 /nfs/dbraw/zinc/45/70/99/1069457099.db2.gz RUZULTNTDJCORS-ROUUACIJSA-N 2 0 481.561 -0.791 20 0 JBADRP CCOc1ccc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439360 1069457810 /nfs/dbraw/zinc/45/78/10/1069457810.db2.gz SGTJZRIURWKHHU-GJZGRUSLSA-N 2 0 494.984 -0.596 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)ccn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439388 1069457748 /nfs/dbraw/zinc/45/77/48/1069457748.db2.gz NYRCBFUWBUGFPL-GJZGRUSLSA-N 2 0 450.931 -0.994 20 0 JBADRP CSc1ccnc(Cl)c1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439395 1069457726 /nfs/dbraw/zinc/45/77/26/1069457726.db2.gz STASKHMURWGMHZ-KBPBESRZSA-N 2 0 497.025 -0.272 20 0 JBADRP CSc1cc(Cl)ncc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439408 1069457827 /nfs/dbraw/zinc/45/78/27/1069457827.db2.gz OAEOTZMZYBRMSB-KBPBESRZSA-N 2 0 497.025 -0.272 20 0 JBADRP Cc1cc2c(ncnc2-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)s1 ZINC001163439438 1069457697 /nfs/dbraw/zinc/45/76/97/1069457697.db2.gz OSPZUMMLBDOBPJ-HOTGVXAUSA-N 2 0 487.590 -0.729 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(Cl)cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439449 1069457781 /nfs/dbraw/zinc/45/77/81/1069457781.db2.gz PAPMPMPBCKZQJB-GJZGRUSLSA-N 2 0 450.931 -0.994 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3c(F)cccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439456 1069457677 /nfs/dbraw/zinc/45/76/77/1069457677.db2.gz PGZHWFMODVMSCJ-IRXDYDNUSA-N 2 0 485.524 -0.960 20 0 JBADRP Cc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163439540 1069457818 /nfs/dbraw/zinc/45/78/18/1069457818.db2.gz USXDFPINKPTXSM-HOTGVXAUSA-N 2 0 478.985 -0.377 20 0 JBADRP CCc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)nc1C ZINC001163439542 1069457714 /nfs/dbraw/zinc/45/77/14/1069457714.db2.gz UUBIMQQGLGYZDX-HOCLYGCPSA-N 2 0 494.000 -0.728 20 0 JBADRP CSc1nc(Cl)ncc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439545 1069457720 /nfs/dbraw/zinc/45/77/20/1069457720.db2.gz UWUJLEXRPVUWKV-STQMWFEESA-N 2 0 498.013 -0.877 20 0 JBADRP CC(C)(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439572 1069457834 /nfs/dbraw/zinc/45/78/34/1069457834.db2.gz VTGIVVDNWAXWAF-ROUUACIJSA-N 2 0 472.594 -0.350 20 0 JBADRP COc1ccc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)cc2c1 ZINC001163439618 1069457794 /nfs/dbraw/zinc/45/77/94/1069457794.db2.gz WRVUVBSMAPCHFO-PMACEKPBSA-N 2 0 496.572 -0.486 20 0 JBADRP CC(C)COc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439620 1069457803 /nfs/dbraw/zinc/45/78/03/1069457803.db2.gz WRWJBCKATJUEPN-ROUUACIJSA-N 2 0 488.593 -0.613 20 0 JBADRP Cc1cc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c2s1 ZINC001163439646 1069457735 /nfs/dbraw/zinc/45/77/35/1069457735.db2.gz XIFAYRGOKZHLJG-HOCLYGCPSA-N 2 0 487.590 -0.729 20 0 JBADRP Cc1nc2ccsc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439650 1069457842 /nfs/dbraw/zinc/45/78/42/1069457842.db2.gz QQPAUAAMWKSXGB-HOCLYGCPSA-N 2 0 487.590 -0.729 20 0 JBADRP Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)cc1Cl ZINC001163439651 1069457754 /nfs/dbraw/zinc/45/77/54/1069457754.db2.gz XNWLFRPXIPZUBB-HOTGVXAUSA-N 2 0 499.403 -0.032 20 0 JBADRP Cc1cc(C(C)C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439656 1069457766 /nfs/dbraw/zinc/45/77/66/1069457766.db2.gz XQHXORIPXLOOTK-WMZOPIPTSA-N 2 0 473.582 -0.821 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cc(F)ccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439678 1069457786 /nfs/dbraw/zinc/45/77/86/1069457786.db2.gz RECJLKPHCOUDJZ-WMZOPIPTSA-N 2 0 485.524 -0.960 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3c(F)cccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439687 1069458530 /nfs/dbraw/zinc/45/85/30/1069458530.db2.gz YEGMYHMVBFIQBW-OALUTQOASA-N 2 0 484.536 -0.355 20 0 JBADRP Cc1cccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c12 ZINC001163439708 1069458405 /nfs/dbraw/zinc/45/84/05/1069458405.db2.gz YTZFTDDMKHDHGR-WMZOPIPTSA-N 2 0 481.561 -0.791 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3cccs3)nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439709 1069458492 /nfs/dbraw/zinc/45/84/92/1069458492.db2.gz YWBQBYGEYOJUKD-RDJZCZTQSA-N 2 0 499.601 -0.524 20 0 JBADRP Cc1ccc(-c2ccc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nn2)o1 ZINC001163439713 1069458539 /nfs/dbraw/zinc/45/85/39/1069458539.db2.gz YXWPURKFDFALJP-WMZOPIPTSA-N 2 0 497.560 -0.684 20 0 JBADRP COc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439718 1069458453 /nfs/dbraw/zinc/45/84/53/1069458453.db2.gz RUOMVFFAHJYDDJ-GJZGRUSLSA-N 2 0 480.957 -0.986 20 0 JBADRP Cc1nc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163439754 1069458389 /nfs/dbraw/zinc/45/83/89/1069458389.db2.gz ZYJSPQKUYBUNDU-GJZGRUSLSA-N 2 0 479.973 -0.982 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccc(Cl)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439755 1069458512 /nfs/dbraw/zinc/45/85/12/1069458512.db2.gz SRMFQFGXWXZQLB-KBPBESRZSA-N 2 0 450.931 -0.994 20 0 JBADRP Cc1nc(C)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)n1 ZINC001163439767 1069458502 /nfs/dbraw/zinc/45/85/02/1069458502.db2.gz UAWLGGCOPLSJMO-GJZGRUSLSA-N 2 0 479.973 -0.982 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)nc3c2CCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439781 1069458463 /nfs/dbraw/zinc/45/84/63/1069458463.db2.gz UOOACTALRUQQGV-RDJZCZTQSA-N 2 0 490.996 -0.506 20 0 JBADRP Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)c1 ZINC001163439786 1069458441 /nfs/dbraw/zinc/45/84/41/1069458441.db2.gz UWANMGMXNSLHBN-HOTGVXAUSA-N 2 0 464.958 -0.686 20 0 JBADRP CSc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439787 1069458560 /nfs/dbraw/zinc/45/85/60/1069458560.db2.gz UZTYTZMNHBWJBX-STQMWFEESA-N 2 0 498.013 -0.877 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ccc(F)cc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439799 1069458523 /nfs/dbraw/zinc/45/85/23/1069458523.db2.gz VJTZGDZPJMECAH-WMZOPIPTSA-N 2 0 485.524 -0.960 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3ccccc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439800 1069458359 /nfs/dbraw/zinc/45/83/59/1069458359.db2.gz VLYJUBIMCFDMJM-HKUYNNGSSA-N 2 0 466.546 -0.494 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccoc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439802 1069458555 /nfs/dbraw/zinc/45/85/55/1069458555.db2.gz VMSSEVJHCMLNJM-HOTGVXAUSA-N 2 0 456.507 -0.901 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)ccc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439805 1069458548 /nfs/dbraw/zinc/45/85/48/1069458548.db2.gz VPYGQTPPFYUNSL-KBPBESRZSA-N 2 0 485.376 -0.341 20 0 JBADRP Cc1nc2ccccc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439809 1069458429 /nfs/dbraw/zinc/45/84/29/1069458429.db2.gz VTGXPNROQQKDPP-HKUYNNGSSA-N 2 0 481.561 -0.791 20 0 JBADRP COc1cc(Cl)ncc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439819 1069458342 /nfs/dbraw/zinc/45/83/42/1069458342.db2.gz WFZURAAQLUDXON-KBPBESRZSA-N 2 0 480.957 -0.986 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc3ccoc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439822 1069458418 /nfs/dbraw/zinc/45/84/18/1069458418.db2.gz WGQYSKRZHNAUFV-JSGCOSHPSA-N 2 0 491.940 -0.853 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccccc3)nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439825 1069458477 /nfs/dbraw/zinc/45/84/77/1069458477.db2.gz WISJQMOSPINZOR-ICSRJNTNSA-N 2 0 493.572 -0.586 20 0 JBADRP CSc1ncc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439838 1069458378 /nfs/dbraw/zinc/45/83/78/1069458378.db2.gz XDLZWHBRRKXQFT-KBPBESRZSA-N 2 0 498.013 -0.877 20 0 JBADRP COc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)ccc2c1 ZINC001163439859 1069459035 /nfs/dbraw/zinc/45/90/35/1069459035.db2.gz YCJGNQCTKZCTGD-ICSRJNTNSA-N 2 0 496.572 -0.486 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3c(n2)CCCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439862 1069459203 /nfs/dbraw/zinc/45/92/03/1069459203.db2.gz YGLZRMLLBIISTA-HKUYNNGSSA-N 2 0 470.578 -0.769 20 0 JBADRP Cc1cccc2ncc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc12 ZINC001163439866 1069459157 /nfs/dbraw/zinc/45/91/57/1069459157.db2.gz YQNSJQIMWRFPAO-WMZOPIPTSA-N 2 0 481.561 -0.791 20 0 JBADRP COc1cccc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc21 ZINC001163439878 1069459072 /nfs/dbraw/zinc/45/90/72/1069459072.db2.gz ZMJSAIUVPUNFTP-ROUUACIJSA-N 2 0 496.572 -0.486 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc(-c3ccco3)cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439888 1069459179 /nfs/dbraw/zinc/45/91/79/1069459179.db2.gz ZZZICFLOXSXKEO-HOTGVXAUSA-N 2 0 483.533 -0.993 20 0 JBADRP COC(=O)c1cc(Oc2cnc(N3CC[NH2+]CC3)nc2)nc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC001164286961 1069461481 /nfs/dbraw/zinc/46/14/81/1069461481.db2.gz FEYGQINUBMGOIM-UHFFFAOYSA-N 2 0 451.509 -0.415 20 0 JBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164751388 720945676 /nfs/dbraw/zinc/94/56/76/720945676.db2.gz LUTYSAGUQNBVKV-UHFFFAOYSA-N 2 0 463.564 -0.590 20 0 JBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(S(C)(=O)=O)nc4c2CC[NH2+]CC4)CC3)CC1 ZINC001164795232 721508323 /nfs/dbraw/zinc/50/83/23/721508323.db2.gz HXUQJGPMIRKWSC-UHFFFAOYSA-N 2 0 460.608 -0.468 20 0 JBADRP O=C([C@H]1C[C@@H](N2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165188364 1069462731 /nfs/dbraw/zinc/46/27/31/1069462731.db2.gz BHHUODLTJXSDHC-IEBWSBKVSA-N 2 0 477.560 -0.153 20 0 JBADRP O=C(c1cccnc1N1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)N1CC[NH2+]CC1 ZINC001165188365 1069462838 /nfs/dbraw/zinc/46/28/38/1069462838.db2.gz BHHUODLTJXSDHC-MJGOQNOKSA-N 2 0 477.560 -0.153 20 0 JBADRP O=C(c1cccnc1N1CCN([C@@H]2C[NH2+][C@@H](C(=O)N3CCC(F)(F)C3)C2)CC1)N1CC[NH2+]CC1 ZINC001165188366 1069462781 /nfs/dbraw/zinc/46/27/81/1069462781.db2.gz BHHUODLTJXSDHC-PKOBYXMFSA-N 2 0 477.560 -0.153 20 0 JBADRP O=C([C@H]1C[C@H](N2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165190240 1069462712 /nfs/dbraw/zinc/46/27/12/1069462712.db2.gz RAFACETXNPDCBI-DLBZAZTESA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@H]1C[C@@H](N2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165190241 1069463374 /nfs/dbraw/zinc/46/33/74/1069463374.db2.gz RAFACETXNPDCBI-IAGOWNOFSA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@@H]1C[C@@H](N2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165190242 1069463401 /nfs/dbraw/zinc/46/34/01/1069463401.db2.gz RAFACETXNPDCBI-SJORKVTESA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@H]1C[C@H](N2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165190951 1069463380 /nfs/dbraw/zinc/46/33/80/1069463380.db2.gz GTWIEGNXEHQKFK-DLBZAZTESA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@H]1C[C@@H](N2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165190952 1069463331 /nfs/dbraw/zinc/46/33/31/1069463331.db2.gz GTWIEGNXEHQKFK-IAGOWNOFSA-N 2 0 450.538 -0.394 20 0 JBADRP O=C([C@@H]1C[C@@H](N2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001165190953 1069463458 /nfs/dbraw/zinc/46/34/58/1069463458.db2.gz GTWIEGNXEHQKFK-SJORKVTESA-N 2 0 450.538 -0.394 20 0 JBADRP C[NH+]1CCN(c2ccc(N3CCN([C@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nn2)CC1 ZINC001165191201 1069463483 /nfs/dbraw/zinc/46/34/83/1069463483.db2.gz HXHGWQLYGHXHDC-MSOLQXFVSA-N 2 0 464.565 -0.052 20 0 JBADRP C[NH+]1CCN(c2ccc(N3CCN([C@H]4C[NH2+][C@@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nn2)CC1 ZINC001165191202 1069463443 /nfs/dbraw/zinc/46/34/43/1069463443.db2.gz HXHGWQLYGHXHDC-QZTJIDSGSA-N 2 0 464.565 -0.052 20 0 JBADRP C[NH+]1CCN(c2ccc(N3CCN([C@@H]4C[NH2+][C@@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nn2)CC1 ZINC001165191203 1069463352 /nfs/dbraw/zinc/46/33/52/1069463352.db2.gz HXHGWQLYGHXHDC-ZWKOTPCHSA-N 2 0 464.565 -0.052 20 0 JBADRP O=S1(=O)Cc2cn(-c3ccc(N4CC[NH2+]CC4)cn3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001165792255 1069471492 /nfs/dbraw/zinc/47/14/92/1069471492.db2.gz BASNFKVTSWTQFQ-RBUKOAKNSA-N 2 0 455.588 -0.029 20 0 JBADRP [NH3+]C1CCN(c2ccnc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)n2)CC1 ZINC001165792500 1069471432 /nfs/dbraw/zinc/47/14/32/1069471432.db2.gz FEEFANDXGKKRPI-ZWKOTPCHSA-N 2 0 470.603 -0.116 20 0 JBADRP O=S1(=O)Cc2cn(-c3cncc(N4CC[NH2+]CC4)n3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001165792535 1069471445 /nfs/dbraw/zinc/47/14/45/1069471445.db2.gz FYCRBGCBRRELGX-DLBZAZTESA-N 2 0 456.576 -0.634 20 0 JBADRP O=C(c1cccnc1-n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)N1CC[NH2+]CC1 ZINC001165792881 1069471417 /nfs/dbraw/zinc/47/14/17/1069471417.db2.gz SJKAMFURXRBOMU-RBUKOAKNSA-N 2 0 483.598 -0.393 20 0 JBADRP O=S1(=O)Cc2cn(-c3ccc(N4CC[NH2+]CC4)nn3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001165793620 1069472133 /nfs/dbraw/zinc/47/21/33/1069472133.db2.gz MJHCBJYAWWHLOQ-DLBZAZTESA-N 2 0 456.576 -0.634 20 0 JBADRP NS(=O)(=O)c1c(NC(=[NH2+])NCCCC[NH3+])ccc(I)c1-c1nn[nH]n1 ZINC001167878693 1067730993 /nfs/dbraw/zinc/73/09/93/1067730993.db2.gz OGQOZFPKOUNRPB-UHFFFAOYSA-N 2 0 479.308 -0.206 20 0 JBADRP COc1ccc2c(c1)C[C@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001168259069 1067951279 /nfs/dbraw/zinc/95/12/79/1067951279.db2.gz IPGPKNISVVRLOW-GIVPXCGWSA-N 2 0 485.589 -0.683 20 0 JBADRP COc1ccc2c(c1)C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001168259070 1067951235 /nfs/dbraw/zinc/95/12/35/1067951235.db2.gz IPGPKNISVVRLOW-JBACZVJFSA-N 2 0 485.589 -0.683 20 0 JBADRP C[NH+](C)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001168315931 1067964094 /nfs/dbraw/zinc/96/40/94/1067964094.db2.gz RJKDHZJESVPCRJ-BTRQGYIVSA-N 3 0 464.615 -0.987 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CC[NH+](CC3CC3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001168370664 1067986028 /nfs/dbraw/zinc/98/60/28/1067986028.db2.gz DJGJMAMIWFNKAA-PMACEKPBSA-N 3 0 476.626 -0.985 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3cc(F)ccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001168421251 1068063496 /nfs/dbraw/zinc/06/34/96/1068063496.db2.gz QIWVBMULNCRGPZ-ACRUOGEOSA-N 2 0 487.580 -0.163 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3cc(F)ccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001168421254 1068063641 /nfs/dbraw/zinc/06/36/41/1068063641.db2.gz QIWVBMULNCRGPZ-HKBOAZHASA-N 2 0 487.580 -0.163 20 0 JBADRP C[C@H](Cc1cccc(F)c1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001168473951 1068082909 /nfs/dbraw/zinc/08/29/09/1068082909.db2.gz JGGFQRXNERYDMO-XPGWFJOJSA-N 2 0 475.569 -0.089 20 0 JBADRP C[C@@H](Cc1cccc(F)c1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001168473952 1068082990 /nfs/dbraw/zinc/08/29/90/1068082990.db2.gz JGGFQRXNERYDMO-YSSFQJQWSA-N 2 0 475.569 -0.089 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2Cc3cccc(Cl)c3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001168718055 1068412387 /nfs/dbraw/zinc/41/23/87/1068412387.db2.gz LJXYDYWPUKKOPQ-UXPWSPDFSA-N 2 0 490.008 -0.039 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2Cc3cccc(Cl)c3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001168718063 1068412322 /nfs/dbraw/zinc/41/23/22/1068412322.db2.gz LJXYDYWPUKKOPQ-VDGAXYAQSA-N 2 0 490.008 -0.039 20 0 JBADRP COC(=O)C1(C)CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001168772748 1068481932 /nfs/dbraw/zinc/48/19/32/1068481932.db2.gz OJGCEFHEXAOANG-QKBUSNMPSA-N 2 0 493.609 -0.737 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(N)nc2=O ZINC001169099474 1068494697 /nfs/dbraw/zinc/49/46/97/1068494697.db2.gz SSEGUUGIPDKAHP-BIVLZKPYSA-N 2 0 477.566 -0.166 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(N)nc2=O ZINC001169099475 1068494537 /nfs/dbraw/zinc/49/45/37/1068494537.db2.gz SSEGUUGIPDKAHP-BQJWPVKWSA-N 2 0 477.566 -0.166 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(N)nc2=O ZINC001169099476 1068494385 /nfs/dbraw/zinc/49/43/85/1068494385.db2.gz SSEGUUGIPDKAHP-JZAWBGDQSA-N 2 0 477.566 -0.166 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(N)nc2=O ZINC001169099477 1068494596 /nfs/dbraw/zinc/49/45/96/1068494596.db2.gz SSEGUUGIPDKAHP-QEOTZNIISA-N 2 0 477.566 -0.166 20 0 JBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001169180553 1068496933 /nfs/dbraw/zinc/49/69/33/1068496933.db2.gz HQAFSOIYOIACKC-IBGZPJMESA-N 2 0 498.625 -0.393 20 0 JBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001169180566 1068496929 /nfs/dbraw/zinc/49/69/29/1068496929.db2.gz HQAFSOIYOIACKC-LJQANCHMSA-N 2 0 498.625 -0.393 20 0 JBADRP CC[NH+]1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001169224205 1068498272 /nfs/dbraw/zinc/49/82/72/1068498272.db2.gz CWYKDRNVICMWHY-HOTGVXAUSA-N 2 0 465.555 -0.307 20 0 JBADRP CC[NH+]1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001169224207 1068498212 /nfs/dbraw/zinc/49/82/12/1068498212.db2.gz CWYKDRNVICMWHY-JKSUJKDBSA-N 2 0 465.555 -0.307 20 0 JBADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CO1 ZINC001169354532 1068499809 /nfs/dbraw/zinc/49/98/09/1068499809.db2.gz WBMPIBBDKMOHCO-LEWJYISDSA-N 2 0 480.599 -0.255 20 0 JBADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CO1 ZINC001169354533 1068500018 /nfs/dbraw/zinc/50/00/18/1068500018.db2.gz WBMPIBBDKMOHCO-NHCUHLMSSA-N 2 0 480.599 -0.255 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CO1 ZINC001169354534 1068499934 /nfs/dbraw/zinc/49/99/34/1068499934.db2.gz WBMPIBBDKMOHCO-RTWAWAEBSA-N 2 0 480.599 -0.255 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CO1 ZINC001169354535 1068499838 /nfs/dbraw/zinc/49/98/38/1068499838.db2.gz WBMPIBBDKMOHCO-SFTDATJTSA-N 2 0 480.599 -0.255 20 0 JBADRP CCOC(=O)[C@H]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169364540 1068499079 /nfs/dbraw/zinc/49/90/79/1068499079.db2.gz CRPLIKDONIAAIX-CADBVGFASA-N 2 0 476.578 -0.469 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169364541 1068498987 /nfs/dbraw/zinc/49/89/87/1068498987.db2.gz CRPLIKDONIAAIX-VJANTYMQSA-N 2 0 476.578 -0.469 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169364542 1068499042 /nfs/dbraw/zinc/49/90/42/1068499042.db2.gz CRPLIKDONIAAIX-XWSJACJDSA-N 2 0 476.578 -0.469 20 0 JBADRP CCOC(=O)[C@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169364543 1068499148 /nfs/dbraw/zinc/49/91/48/1068499148.db2.gz CRPLIKDONIAAIX-YDZRNGNQSA-N 2 0 476.578 -0.469 20 0 JBADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371281 1068500040 /nfs/dbraw/zinc/50/00/40/1068500040.db2.gz LGJQCAUQKATCTB-CXQPBAHBSA-N 2 0 497.637 -0.199 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371285 1068500000 /nfs/dbraw/zinc/50/00/00/1068500000.db2.gz LGJQCAUQKATCTB-DEPCRRQNSA-N 2 0 497.637 -0.199 20 0 JBADRP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371287 1068499845 /nfs/dbraw/zinc/49/98/45/1068499845.db2.gz LGJQCAUQKATCTB-FSGKZVOOSA-N 2 0 497.637 -0.199 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371288 1068499944 /nfs/dbraw/zinc/49/99/44/1068499944.db2.gz LGJQCAUQKATCTB-HVTWWXFQSA-N 2 0 497.637 -0.199 20 0 JBADRP CC(=O)N1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169507368 1068500561 /nfs/dbraw/zinc/50/05/61/1068500561.db2.gz RYSKGMDWOJSUPB-JOCHJYFZSA-N 2 0 479.615 -0.728 20 0 JBADRP CC(=O)N1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169507369 1068501330 /nfs/dbraw/zinc/50/13/30/1068501330.db2.gz RYSKGMDWOJSUPB-QFIPXVFZSA-N 2 0 479.615 -0.728 20 0 JBADRP CC(=O)N1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169534732 1068501383 /nfs/dbraw/zinc/50/13/83/1068501383.db2.gz OPIOEGODHUCTSX-VJANTYMQSA-N 2 0 452.600 -0.689 20 0 JBADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169534734 1068501202 /nfs/dbraw/zinc/50/12/02/1068501202.db2.gz OPIOEGODHUCTSX-XWSJACJDSA-N 2 0 452.600 -0.689 20 0 JBADRP CC(=O)N1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169582660 1068501785 /nfs/dbraw/zinc/50/17/85/1068501785.db2.gz BLCBBEXNFDQOMG-HSZRJFAPSA-N 2 0 493.642 -0.338 20 0 JBADRP CC(=O)N1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169582661 1068501726 /nfs/dbraw/zinc/50/17/26/1068501726.db2.gz BLCBBEXNFDQOMG-QHCPKHFHSA-N 2 0 493.642 -0.338 20 0 JBADRP CC(=O)N1CCC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169593493 1068501839 /nfs/dbraw/zinc/50/18/39/1068501839.db2.gz FLJUUTJEVQXOIO-FYQPLNBISA-N 2 0 466.627 -0.298 20 0 JBADRP CC(=O)N1CCC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169593499 1068501856 /nfs/dbraw/zinc/50/18/56/1068501856.db2.gz FLJUUTJEVQXOIO-MUGJNUQGSA-N 2 0 466.627 -0.298 20 0 JBADRP CS(=O)(=O)C1CCC([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001169865767 1068503634 /nfs/dbraw/zinc/50/36/34/1068503634.db2.gz MGDRUVAXPLSVRE-UHFFFAOYSA-N 2 0 484.656 -0.010 20 0 JBADRP CS(=O)(=O)C1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001169871529 1068503658 /nfs/dbraw/zinc/50/36/58/1068503658.db2.gz YKBFQKODZZJFAR-BTRQGYIVSA-N 2 0 480.635 -0.224 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(c1)COC31C[NH2+]C1)c(N)nc2=O ZINC001169980410 1068506842 /nfs/dbraw/zinc/50/68/42/1068506842.db2.gz SXCBMPANZOMNQM-KRWDZBQOSA-N 2 0 483.529 -0.006 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(n1)C[NH2+]CC3)c(N)nc2=O ZINC001169980890 1068505541 /nfs/dbraw/zinc/50/55/41/1068505541.db2.gz CBTRSJFNYSQSJS-INIZCTEOSA-N 2 0 456.507 -0.294 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnc3c(c1)C[NH2+]CC3)c(N)nc2=O ZINC001169982975 1068506809 /nfs/dbraw/zinc/50/68/09/1068506809.db2.gz RZFAAXXHXLELBK-INIZCTEOSA-N 2 0 456.507 -0.294 20 0 JBADRP CC1(C)CC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC(C)(C)N1O ZINC001169988463 1068507292 /nfs/dbraw/zinc/50/72/92/1068507292.db2.gz WEIBPMQYFSBQEI-ROUUACIJSA-N 2 0 494.641 -0.449 20 0 JBADRP CC[C@@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201191 1068515770 /nfs/dbraw/zinc/51/57/70/1068515770.db2.gz BOFCFLQLHGRKPL-BDXSIMOUSA-N 2 0 451.572 -0.902 20 0 JBADRP CC[C@@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201192 1068516046 /nfs/dbraw/zinc/51/60/46/1068516046.db2.gz BOFCFLQLHGRKPL-MHORFTMASA-N 2 0 451.572 -0.902 20 0 JBADRP CC[C@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201193 1068516169 /nfs/dbraw/zinc/51/61/69/1068516169.db2.gz BOFCFLQLHGRKPL-OWSLCNJRSA-N 2 0 451.572 -0.902 20 0 JBADRP CC[C@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201194 1068516188 /nfs/dbraw/zinc/51/61/88/1068516188.db2.gz BOFCFLQLHGRKPL-XSLAGTTESA-N 2 0 451.572 -0.902 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(=O)N3CCNC(=O)C3)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170395840 1068517243 /nfs/dbraw/zinc/51/72/43/1068517243.db2.gz OFGKLDMROJIXLQ-CAHYOOLBSA-N 2 0 492.621 -0.073 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(=O)N3CCNC(=O)C3)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170395841 1068517363 /nfs/dbraw/zinc/51/73/63/1068517363.db2.gz OFGKLDMROJIXLQ-FWPMOMRQSA-N 2 0 492.621 -0.073 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(=O)N3CCNC(=O)C3)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170395842 1068517469 /nfs/dbraw/zinc/51/74/69/1068517469.db2.gz OFGKLDMROJIXLQ-LURLFRAYSA-N 2 0 492.621 -0.073 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(=O)N3CCNC(=O)C3)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170395843 1068517350 /nfs/dbraw/zinc/51/73/50/1068517350.db2.gz OFGKLDMROJIXLQ-VDDLPULDSA-N 2 0 492.621 -0.073 20 0 JBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170518859 1068526128 /nfs/dbraw/zinc/52/61/28/1068526128.db2.gz XTAMWAOXCIWOFJ-FGZHOGPDSA-N 2 0 494.626 -0.007 20 0 JBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170518860 1068526159 /nfs/dbraw/zinc/52/61/59/1068526159.db2.gz XTAMWAOXCIWOFJ-YADHBBJMSA-N 2 0 494.626 -0.007 20 0 JBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170524715 1068526242 /nfs/dbraw/zinc/52/62/42/1068526242.db2.gz NXHZVUFICCCHNH-UXHICEINSA-N 2 0 450.573 -0.024 20 0 JBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170524716 1068526180 /nfs/dbraw/zinc/52/61/80/1068526180.db2.gz NXHZVUFICCCHNH-WOJBJXKFSA-N 2 0 450.573 -0.024 20 0 JBADRP NS(=O)(=O)c1c(N[C@@H]([NH3+])CCC[NH3+])ccc(I)c1-c1nn[nH]n1 ZINC001170900015 1068550624 /nfs/dbraw/zinc/55/06/24/1068550624.db2.gz OEWHZMPLJDNPBA-MRVPVSSYSA-N 2 0 452.282 -0.446 20 0 JBADRP NS(=O)(=O)c1c(N[C@H]([NH3+])CCC[NH3+])ccc(I)c1-c1nn[nH]n1 ZINC001170900016 1068550543 /nfs/dbraw/zinc/55/05/43/1068550543.db2.gz OEWHZMPLJDNPBA-QMMMGPOBSA-N 2 0 452.282 -0.446 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3cccc(F)c3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001170973251 1068558332 /nfs/dbraw/zinc/55/83/32/1068558332.db2.gz BGJRDNOIMOTJAE-QMMLZNLJSA-N 2 0 487.580 -0.163 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3cccc(F)c3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001170973255 1068558526 /nfs/dbraw/zinc/55/85/26/1068558526.db2.gz BGJRDNOIMOTJAE-YYWHXJBOSA-N 2 0 487.580 -0.163 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C[C@H]1C[NH+](C)C ZINC001171393980 1068629459 /nfs/dbraw/zinc/62/94/59/1068629459.db2.gz WKVLKCITQCMWCS-ZIAGYGMSSA-N 2 0 460.000 -0.085 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3c(F)cccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001171417797 1068630067 /nfs/dbraw/zinc/63/00/67/1068630067.db2.gz FELOSNVJMOTFHQ-QMMLZNLJSA-N 2 0 487.580 -0.163 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3c(F)cccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001171417798 1068630005 /nfs/dbraw/zinc/63/00/05/1068630005.db2.gz FELOSNVJMOTFHQ-YYWHXJBOSA-N 2 0 487.580 -0.163 20 0 JBADRP C[NH+]1C(C)(C)CC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1(C)C ZINC001171629201 1068630842 /nfs/dbraw/zinc/63/08/42/1068630842.db2.gz PIEKADAFWBGBEF-OALUTQOASA-N 3 0 492.669 -0.208 20 0 JBADRP C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728225 1068631440 /nfs/dbraw/zinc/63/14/40/1068631440.db2.gz LOCXVBLAURNPSE-CCRXZMLTSA-N 2 0 455.519 -0.411 20 0 JBADRP C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728226 1068631605 /nfs/dbraw/zinc/63/16/05/1068631605.db2.gz LOCXVBLAURNPSE-CZXRITGDSA-N 2 0 455.519 -0.411 20 0 JBADRP C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728227 1068631866 /nfs/dbraw/zinc/63/18/66/1068631866.db2.gz LOCXVBLAURNPSE-MVRLHCLPSA-N 2 0 455.519 -0.411 20 0 JBADRP C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@@H+]1Cc1ccccc1 ZINC001171728228 1068631366 /nfs/dbraw/zinc/63/13/66/1068631366.db2.gz LOCXVBLAURNPSE-UANOPRFOSA-N 2 0 455.519 -0.411 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2Cc3cccc(F)c3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001171790626 1068632671 /nfs/dbraw/zinc/63/26/71/1068632671.db2.gz OXFHMSLVVKVFFF-UXPWSPDFSA-N 2 0 473.553 -0.553 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2Cc3cccc(F)c3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001171790627 1068632802 /nfs/dbraw/zinc/63/28/02/1068632802.db2.gz OXFHMSLVVKVFFF-VDGAXYAQSA-N 2 0 473.553 -0.553 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008378 1068633413 /nfs/dbraw/zinc/63/34/13/1068633413.db2.gz BNNMFBLYHZNCNH-FQEVSTJZSA-N 2 0 461.600 -0.212 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008382 1068633397 /nfs/dbraw/zinc/63/33/97/1068633397.db2.gz PCGYLYKUGXFLRT-NEWSRXKRSA-N 2 0 457.579 -0.426 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008387 1068633368 /nfs/dbraw/zinc/63/33/68/1068633368.db2.gz PCGYLYKUGXFLRT-WDSOQIARSA-N 2 0 457.579 -0.426 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008396 1068633402 /nfs/dbraw/zinc/63/34/02/1068633402.db2.gz BNNMFBLYHZNCNH-HXUWFJFHSA-N 2 0 461.600 -0.212 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172017716 1068634114 /nfs/dbraw/zinc/63/41/14/1068634114.db2.gz YVLTWGMORLIMBK-SAJDGTNDSA-N 2 0 478.638 -0.156 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172017718 1068634193 /nfs/dbraw/zinc/63/41/93/1068634193.db2.gz YVLTWGMORLIMBK-WBKMXMRLSA-N 2 0 478.638 -0.156 20 0 JBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172025118 1068634159 /nfs/dbraw/zinc/63/41/59/1068634159.db2.gz DEPBKAOJHJHCIZ-JOCHJYFZSA-N 2 0 493.642 -0.338 20 0 JBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172025122 1068634036 /nfs/dbraw/zinc/63/40/36/1068634036.db2.gz DEPBKAOJHJHCIZ-QFIPXVFZSA-N 2 0 493.642 -0.338 20 0 JBADRP CCN1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1=O ZINC001172043300 1068634059 /nfs/dbraw/zinc/63/40/59/1068634059.db2.gz PAUJXTQDXOUFEJ-JPLJXNOCSA-N 2 0 466.627 -0.298 20 0 JBADRP CCN1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1=O ZINC001172043309 1068634905 /nfs/dbraw/zinc/63/49/05/1068634905.db2.gz PAUJXTQDXOUFEJ-LXZJYRNTSA-N 2 0 466.627 -0.298 20 0 JBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001172113793 1068634645 /nfs/dbraw/zinc/63/46/45/1068634645.db2.gz MKVJWYOJMRTPJQ-MDMHHNQBSA-N 3 0 476.626 -0.844 20 0 JBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001172113794 1068634791 /nfs/dbraw/zinc/63/47/91/1068634791.db2.gz MKVJWYOJMRTPJQ-WPVAHCMFSA-N 3 0 476.626 -0.844 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C)C(N)=O ZINC001172134693 1068635078 /nfs/dbraw/zinc/63/50/78/1068635078.db2.gz NOUOHKCZYDRVGC-KUQDVAMZSA-N 2 0 480.654 -0.448 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159992 1068635843 /nfs/dbraw/zinc/63/58/43/1068635843.db2.gz DFCMFXMJQLUIAX-RDGPPVDQSA-N 2 0 457.579 -0.426 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159993 1068635773 /nfs/dbraw/zinc/63/57/73/1068635773.db2.gz DFCMFXMJQLUIAX-VJANTYMQSA-N 2 0 457.579 -0.426 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159994 1068635700 /nfs/dbraw/zinc/63/57/00/1068635700.db2.gz DFCMFXMJQLUIAX-XWSJACJDSA-N 2 0 457.579 -0.426 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159995 1068635887 /nfs/dbraw/zinc/63/58/87/1068635887.db2.gz DFCMFXMJQLUIAX-YRXWBPOGSA-N 2 0 457.579 -0.426 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172162498 1068635669 /nfs/dbraw/zinc/63/56/69/1068635669.db2.gz SYOBSHMLKKAEKV-LEWJYISDSA-N 2 0 461.600 -0.212 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172162499 1068635882 /nfs/dbraw/zinc/63/58/82/1068635882.db2.gz SYOBSHMLKKAEKV-NHCUHLMSSA-N 2 0 461.600 -0.212 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172162500 1068635865 /nfs/dbraw/zinc/63/58/65/1068635865.db2.gz SYOBSHMLKKAEKV-RTWAWAEBSA-N 2 0 461.600 -0.212 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172162501 1068635793 /nfs/dbraw/zinc/63/57/93/1068635793.db2.gz SYOBSHMLKKAEKV-SFTDATJTSA-N 2 0 461.600 -0.212 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172169472 1068636464 /nfs/dbraw/zinc/63/64/64/1068636464.db2.gz FXUFZUJPVHWHFY-AGRFSFNASA-N 2 0 478.638 -0.156 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172169473 1068636302 /nfs/dbraw/zinc/63/63/02/1068636302.db2.gz FXUFZUJPVHWHFY-JLCRNFDHSA-N 2 0 478.638 -0.156 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172169474 1068636314 /nfs/dbraw/zinc/63/63/14/1068636314.db2.gz FXUFZUJPVHWHFY-PWIGDYEPSA-N 2 0 478.638 -0.156 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172169475 1068636456 /nfs/dbraw/zinc/63/64/56/1068636456.db2.gz FXUFZUJPVHWHFY-RVDAZCDBSA-N 2 0 478.638 -0.156 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CSc3ccccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172192645 1068635870 /nfs/dbraw/zinc/63/58/70/1068635870.db2.gz GEZCAVJRYGOMGM-FHWLQOOXSA-N 2 0 487.630 -0.142 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CSc3ccccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172192647 1068635826 /nfs/dbraw/zinc/63/58/26/1068635826.db2.gz GEZCAVJRYGOMGM-QYZOEREBSA-N 2 0 487.630 -0.142 20 0 JBADRP COCCC[NH+]1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172249592 1068637126 /nfs/dbraw/zinc/63/71/26/1068637126.db2.gz KTSZCCBFJBSFFN-SFTDATJTSA-N 3 0 475.638 -0.078 20 0 JBADRP CC[C@H](C)OCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340507 1068638031 /nfs/dbraw/zinc/63/80/31/1068638031.db2.gz QUKJVEVPYOXYRP-CAMMJAKZSA-N 2 0 467.615 -0.266 20 0 JBADRP CC[C@@H](C)OCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340520 1068637892 /nfs/dbraw/zinc/63/78/92/1068637892.db2.gz QUKJVEVPYOXYRP-FPAYPSAMSA-N 2 0 467.615 -0.266 20 0 JBADRP CC[C@@H](C)OCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340523 1068637745 /nfs/dbraw/zinc/63/77/45/1068637745.db2.gz QUKJVEVPYOXYRP-NBMJBFSESA-N 2 0 467.615 -0.266 20 0 JBADRP CC[C@H](C)OCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340526 1068638077 /nfs/dbraw/zinc/63/80/77/1068638077.db2.gz QUKJVEVPYOXYRP-NEPXVJNWSA-N 2 0 467.615 -0.266 20 0 JBADRP CC(C)OCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172440890 1068637914 /nfs/dbraw/zinc/63/79/14/1068637914.db2.gz QCKMGHYLKKEDSM-NJAFHUGGSA-N 2 0 453.588 -0.656 20 0 JBADRP CC(C)OCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172440891 1068637777 /nfs/dbraw/zinc/63/77/77/1068637777.db2.gz QCKMGHYLKKEDSM-SZMVWBNQSA-N 2 0 453.588 -0.656 20 0 JBADRP CC(C)COCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172470557 1068637590 /nfs/dbraw/zinc/63/75/90/1068637590.db2.gz ZLRMYYAZUHPCGR-NEWSRXKRSA-N 2 0 467.615 -0.408 20 0 JBADRP CC(C)COCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172470558 1068638018 /nfs/dbraw/zinc/63/80/18/1068638018.db2.gz ZLRMYYAZUHPCGR-WDSOQIARSA-N 2 0 467.615 -0.408 20 0 JBADRP CC1(C)CC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC(C)(C)O1 ZINC001172654978 1068637974 /nfs/dbraw/zinc/63/79/74/1068637974.db2.gz NMSMHQVXJKRAJB-ROUUACIJSA-N 2 0 479.626 -0.123 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2Cc3ccc(Cl)cc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172714475 1068638659 /nfs/dbraw/zinc/63/86/59/1068638659.db2.gz CSBPZMXLQOVJJX-AABGKKOBSA-N 2 0 490.008 -0.039 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2Cc3ccc(Cl)cc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172714477 1068638570 /nfs/dbraw/zinc/63/85/70/1068638570.db2.gz CSBPZMXLQOVJJX-UFYCRDLUSA-N 2 0 490.008 -0.039 20 0 JBADRP COC(=O)N1CCC([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001172733756 1068638908 /nfs/dbraw/zinc/63/89/08/1068638908.db2.gz CAUPLULJFDAODY-UHFFFAOYSA-N 2 0 465.588 -0.135 20 0 JBADRP COC(=O)N1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001172735641 1068638857 /nfs/dbraw/zinc/63/88/57/1068638857.db2.gz DYPSTKLADFEWAE-FHWLQOOXSA-N 2 0 482.626 -0.079 20 0 JBADRP COC(=O)N1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172735660 1068638931 /nfs/dbraw/zinc/63/89/31/1068638931.db2.gz FGRRVXYTAGSMHD-ROUUACIJSA-N 2 0 461.567 -0.349 20 0 JBADRP CC(C)OC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172751977 1068638534 /nfs/dbraw/zinc/63/85/34/1068638534.db2.gz ZJQVTIAYYDJAGD-NJAFHUGGSA-N 2 0 481.598 -0.739 20 0 JBADRP CC(C)OC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172751978 1068638627 /nfs/dbraw/zinc/63/86/27/1068638627.db2.gz ZJQVTIAYYDJAGD-SZMVWBNQSA-N 2 0 481.598 -0.739 20 0 JBADRP COC(=O)[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784852 1068639792 /nfs/dbraw/zinc/63/97/92/1068639792.db2.gz NTLJDSUWIYETDA-BVBHFADKSA-N 2 0 493.609 -0.737 20 0 JBADRP COC(=O)[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784899 1068639854 /nfs/dbraw/zinc/63/98/54/1068639854.db2.gz NTLJDSUWIYETDA-NQYYFHDYSA-N 2 0 493.609 -0.737 20 0 JBADRP COC(=O)[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784902 1068639498 /nfs/dbraw/zinc/63/94/98/1068639498.db2.gz NTLJDSUWIYETDA-WNHJNPCNSA-N 2 0 493.609 -0.737 20 0 JBADRP COC(=O)[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784904 1068639742 /nfs/dbraw/zinc/63/97/42/1068639742.db2.gz NTLJDSUWIYETDA-YSHGAJCASA-N 2 0 493.609 -0.737 20 0 JBADRP CO[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930051 1068639803 /nfs/dbraw/zinc/63/98/03/1068639803.db2.gz ICBVZSLHPXHLAS-BDXSIMOUSA-N 2 0 451.572 -0.902 20 0 JBADRP CO[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930065 1068639620 /nfs/dbraw/zinc/63/96/20/1068639620.db2.gz ICBVZSLHPXHLAS-MHORFTMASA-N 2 0 451.572 -0.902 20 0 JBADRP CO[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930066 1068639710 /nfs/dbraw/zinc/63/97/10/1068639710.db2.gz ICBVZSLHPXHLAS-OWSLCNJRSA-N 2 0 451.572 -0.902 20 0 JBADRP CO[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930067 1068639847 /nfs/dbraw/zinc/63/98/47/1068639847.db2.gz ICBVZSLHPXHLAS-XSLAGTTESA-N 2 0 451.572 -0.902 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(CCOCC3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001173043452 1068640537 /nfs/dbraw/zinc/64/05/37/1068640537.db2.gz KTGBHFHYXHZOLN-PMACEKPBSA-N 2 0 491.637 -0.120 20 0 JBADRP CCCOC1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001173095386 1068641136 /nfs/dbraw/zinc/64/11/36/1068641136.db2.gz CLFRAMHEUGSUFV-GUMHCPJTSA-N 2 0 479.626 -0.122 20 0 JBADRP CC[NH+](CC)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001173108274 1068641182 /nfs/dbraw/zinc/64/11/82/1068641182.db2.gz INPYKVGNQUQVQU-JSRAGOMMSA-N 3 0 492.669 -0.206 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3ncsc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001173134739 1068641497 /nfs/dbraw/zinc/64/14/97/1068641497.db2.gz JDXIAUQCBOAMHM-VYDXJSESSA-N 2 0 476.607 -0.845 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3ncsc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001173134749 1068641552 /nfs/dbraw/zinc/64/15/52/1068641552.db2.gz JDXIAUQCBOAMHM-ZOBUZTSGSA-N 2 0 476.607 -0.845 20 0 JBADRP CC[N@@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351560 1068641213 /nfs/dbraw/zinc/64/12/13/1068641213.db2.gz CRANPRPGLUQLDQ-ILXRZTDVSA-N 2 0 451.528 -0.697 20 0 JBADRP CC[N@@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351565 1068641596 /nfs/dbraw/zinc/64/15/96/1068641596.db2.gz CRANPRPGLUQLDQ-KKUMJFAQSA-N 2 0 451.528 -0.697 20 0 JBADRP CC[N@@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351567 1068641413 /nfs/dbraw/zinc/64/14/13/1068641413.db2.gz CRANPRPGLUQLDQ-QLFBSQMISA-N 2 0 451.528 -0.697 20 0 JBADRP CC[N@@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351571 1068641650 /nfs/dbraw/zinc/64/16/50/1068641650.db2.gz CRANPRPGLUQLDQ-SOUVJXGZSA-N 2 0 451.528 -0.697 20 0 JBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001173355625 1068642238 /nfs/dbraw/zinc/64/22/38/1068642238.db2.gz QXWVWNMSCZEDMK-JOCHJYFZSA-N 2 0 465.632 -0.255 20 0 JBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001173355626 1068642097 /nfs/dbraw/zinc/64/20/97/1068642097.db2.gz QXWVWNMSCZEDMK-QFIPXVFZSA-N 2 0 465.632 -0.255 20 0 JBADRP COC(=O)CCCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173448110 1068643060 /nfs/dbraw/zinc/64/30/60/1068643060.db2.gz JCXOYIAVUXZFDA-NJAFHUGGSA-N 2 0 481.598 -0.737 20 0 JBADRP COC(=O)CCCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173448126 1068642918 /nfs/dbraw/zinc/64/29/18/1068642918.db2.gz JCXOYIAVUXZFDA-SZMVWBNQSA-N 2 0 481.598 -0.737 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2Cc3cc(F)c(F)cc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001173480058 1068642955 /nfs/dbraw/zinc/64/29/55/1068642955.db2.gz PZFJZFBPZZHAMJ-PMACEKPBSA-N 2 0 491.543 -0.414 20 0 JBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001173576071 1068645424 /nfs/dbraw/zinc/64/54/24/1068645424.db2.gz GXPSTLBCQKSVCQ-LDLYASANSA-N 2 0 464.556 -0.642 20 0 JBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001173576073 1068645829 /nfs/dbraw/zinc/64/58/29/1068645829.db2.gz GXPSTLBCQKSVCQ-REPLKXPHSA-N 2 0 464.556 -0.642 20 0 JBADRP CCOC(=O)C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651054 1068647377 /nfs/dbraw/zinc/64/73/77/1068647377.db2.gz NEMLMNJCLGMIMA-BVBHFADKSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)C[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651056 1068647194 /nfs/dbraw/zinc/64/71/94/1068647194.db2.gz NEMLMNJCLGMIMA-NQYYFHDYSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)C[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651057 1068647347 /nfs/dbraw/zinc/64/73/47/1068647347.db2.gz NEMLMNJCLGMIMA-WNHJNPCNSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651058 1068647300 /nfs/dbraw/zinc/64/73/00/1068647300.db2.gz NEMLMNJCLGMIMA-YSHGAJCASA-N 2 0 493.609 -0.737 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173744490 1068648141 /nfs/dbraw/zinc/64/81/41/1068648141.db2.gz GPBLWMFJGZGIIP-RDGPPVDQSA-N 2 0 470.582 -0.409 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173744493 1068648014 /nfs/dbraw/zinc/64/80/14/1068648014.db2.gz GPBLWMFJGZGIIP-VJANTYMQSA-N 2 0 470.582 -0.409 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173744494 1068648118 /nfs/dbraw/zinc/64/81/18/1068648118.db2.gz GPBLWMFJGZGIIP-XWSJACJDSA-N 2 0 470.582 -0.409 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173744496 1068648279 /nfs/dbraw/zinc/64/82/79/1068648279.db2.gz GPBLWMFJGZGIIP-YRXWBPOGSA-N 2 0 470.582 -0.409 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)C(N)=O ZINC001173754689 1068648160 /nfs/dbraw/zinc/64/81/60/1068648160.db2.gz XOHLUDJMQJMZCD-DEPCRRQNSA-N 2 0 491.641 -0.139 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H](n2ncnn2)C1)C(N)=O ZINC001173754700 1068647963 /nfs/dbraw/zinc/64/79/63/1068647963.db2.gz XOHLUDJMQJMZCD-HVTWWXFQSA-N 2 0 491.641 -0.139 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)C(N)=O ZINC001173754704 1068648168 /nfs/dbraw/zinc/64/81/68/1068648168.db2.gz XOHLUDJMQJMZCD-SLHNCBLASA-N 2 0 491.641 -0.139 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)C(N)=O ZINC001173754706 1068648213 /nfs/dbraw/zinc/64/82/13/1068648213.db2.gz XOHLUDJMQJMZCD-WPVAHCMFSA-N 2 0 491.641 -0.139 20 0 JBADRP CC(=O)N[C@H](Cc1c[nH]cn1)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+] ZINC001176385242 1068655912 /nfs/dbraw/zinc/65/59/12/1068655912.db2.gz KQOWUEXNNDCEQE-FXALTLAESA-N 2 0 468.599 -0.248 20 0 JBADRP CC(=O)N[C@H](Cc1c[nH]cn1)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+] ZINC001176385243 1068655687 /nfs/dbraw/zinc/65/56/87/1068655687.db2.gz KQOWUEXNNDCEQE-MZPGVEPJSA-N 2 0 468.599 -0.248 20 0 JBADRP CC(=O)N[C@H](Cc1c[nH]cn1)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+] ZINC001176385244 1068655524 /nfs/dbraw/zinc/65/55/24/1068655524.db2.gz KQOWUEXNNDCEQE-OUCQQMGCSA-N 2 0 468.599 -0.248 20 0 JBADRP CC(=O)N[C@H](Cc1c[nH]cn1)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+] ZINC001176385245 1068656009 /nfs/dbraw/zinc/65/60/09/1068656009.db2.gz KQOWUEXNNDCEQE-RRUHPTRMSA-N 2 0 468.599 -0.248 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001176984900 1068667821 /nfs/dbraw/zinc/66/78/21/1068667821.db2.gz OIMVTFWHGMZOLY-HSZRPETLSA-N 2 0 493.653 -0.106 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001176984902 1068667763 /nfs/dbraw/zinc/66/77/63/1068667763.db2.gz OIMVTFWHGMZOLY-ILZLQZNLSA-N 2 0 493.653 -0.106 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001176984933 1068668424 /nfs/dbraw/zinc/66/84/24/1068668424.db2.gz OIMVTFWHGMZOLY-PEQWJCPASA-N 2 0 493.653 -0.106 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001176984934 1068668470 /nfs/dbraw/zinc/66/84/70/1068668470.db2.gz OIMVTFWHGMZOLY-WIRGQOOTSA-N 2 0 493.653 -0.106 20 0 JBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001178728551 1068696651 /nfs/dbraw/zinc/69/66/51/1068696651.db2.gz FKDRPZRTDGLDGF-RQIOHKNLSA-N 2 0 483.529 -0.839 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178767633 1068695909 /nfs/dbraw/zinc/69/59/09/1068695909.db2.gz FGUNOXFXHRXORF-CBNQQXHVSA-N 2 0 478.656 -0.046 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178767634 1068696810 /nfs/dbraw/zinc/69/68/10/1068696810.db2.gz FGUNOXFXHRXORF-KVIJGQROSA-N 2 0 478.656 -0.046 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178767636 1068696759 /nfs/dbraw/zinc/69/67/59/1068696759.db2.gz FGUNOXFXHRXORF-VKESLTNKSA-N 2 0 478.656 -0.046 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178767638 1068696548 /nfs/dbraw/zinc/69/65/48/1068696548.db2.gz FGUNOXFXHRXORF-ZYNAIFEFSA-N 2 0 478.656 -0.046 20 0 JBADRP CC(=O)N1CCN(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 ZINC001179035669 1068701020 /nfs/dbraw/zinc/70/10/20/1068701020.db2.gz NNAZRZDFQCCJNP-DSVUQQCSSA-N 2 0 457.616 -0.554 20 0 JBADRP CC(=O)N1CCN(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 ZINC001179035670 1068700949 /nfs/dbraw/zinc/70/09/49/1068700949.db2.gz NNAZRZDFQCCJNP-OAGDOXAWSA-N 2 0 457.616 -0.554 20 0 JBADRP CC(=O)N1CCN(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 ZINC001179035671 1068701188 /nfs/dbraw/zinc/70/11/88/1068701188.db2.gz NNAZRZDFQCCJNP-OEUJLIAZSA-N 2 0 457.616 -0.554 20 0 JBADRP CC(=O)N1CCN(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 ZINC001179035672 1068701108 /nfs/dbraw/zinc/70/11/08/1068701108.db2.gz NNAZRZDFQCCJNP-RDIJVOARSA-N 2 0 457.616 -0.554 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154935 1068701707 /nfs/dbraw/zinc/70/17/07/1068701707.db2.gz ARANSFYPKKTUPW-HNNXBMFYSA-N 2 0 459.548 -0.249 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154937 1068701936 /nfs/dbraw/zinc/70/19/36/1068701936.db2.gz ARANSFYPKKTUPW-OAHLLOKOSA-N 2 0 459.548 -0.249 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180273368 1068713525 /nfs/dbraw/zinc/71/35/25/1068713525.db2.gz WFLAKHWJLJBRTQ-FIOCPMRGSA-N 2 0 485.626 -0.589 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180273369 1068713358 /nfs/dbraw/zinc/71/33/58/1068713358.db2.gz WFLAKHWJLJBRTQ-HSDNQCAASA-N 2 0 485.626 -0.589 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180273370 1068713325 /nfs/dbraw/zinc/71/33/25/1068713325.db2.gz WFLAKHWJLJBRTQ-IDRUFVAWSA-N 2 0 485.626 -0.589 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180273371 1068713605 /nfs/dbraw/zinc/71/36/05/1068713605.db2.gz WFLAKHWJLJBRTQ-QYSHBZRDSA-N 2 0 485.626 -0.589 20 0 JBADRP CC(C)[NH+]1CCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001180344597 1068714086 /nfs/dbraw/zinc/71/40/86/1068714086.db2.gz CHXTTZOFGPNMPL-RBUKOAKNSA-N 2 0 462.620 -0.156 20 0 JBADRP CC(C)[NH+]1CCN(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001180351017 1068714218 /nfs/dbraw/zinc/71/42/18/1068714218.db2.gz MNEYHTODUWMOEZ-UHFFFAOYSA-N 2 0 453.569 -0.209 20 0 JBADRP CC[NH+](CC)CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001180391643 1068715454 /nfs/dbraw/zinc/71/54/54/1068715454.db2.gz XGHHKJKKZNSDLH-LNLFQRSKSA-N 2 0 454.616 -0.441 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180499325 1068717542 /nfs/dbraw/zinc/71/75/42/1068717542.db2.gz YECLBESOOUFCPC-RNEDXHKXSA-N 2 0 458.600 -0.079 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180499333 1068717460 /nfs/dbraw/zinc/71/74/60/1068717460.db2.gz YECLBESOOUFCPC-TYFMXVJSSA-N 2 0 458.600 -0.079 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@H](O)OC(C)(C)C)C1 ZINC001180499435 1068717489 /nfs/dbraw/zinc/71/74/89/1068717489.db2.gz YECLBESOOUFCPC-XPKAMFKHSA-N 2 0 458.600 -0.079 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@H](O)OC(C)(C)C)C1 ZINC001180499436 1068717377 /nfs/dbraw/zinc/71/73/77/1068717377.db2.gz YECLBESOOUFCPC-YRJWVXGYSA-N 2 0 458.600 -0.079 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+]1CCCC1)C(N)=O ZINC001180586075 1068718680 /nfs/dbraw/zinc/71/86/80/1068718680.db2.gz NZLOMNBAALMSJD-VJANTYMQSA-N 2 0 466.627 -0.298 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH+]1CCCC1)C(N)=O ZINC001180586076 1068718776 /nfs/dbraw/zinc/71/87/76/1068718776.db2.gz NZLOMNBAALMSJD-XWSJACJDSA-N 2 0 466.627 -0.298 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180597765 1068720080 /nfs/dbraw/zinc/72/00/80/1068720080.db2.gz FDSJCSPDDMRKQP-BEIYGRMHSA-N 2 0 464.629 -0.988 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180597766 1068720042 /nfs/dbraw/zinc/72/00/42/1068720042.db2.gz FDSJCSPDDMRKQP-BGJMDTOESA-N 2 0 464.629 -0.988 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180597767 1068719848 /nfs/dbraw/zinc/71/98/48/1068719848.db2.gz FDSJCSPDDMRKQP-FYAJOAKPSA-N 2 0 464.629 -0.988 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180597768 1068720666 /nfs/dbraw/zinc/72/06/66/1068720666.db2.gz FDSJCSPDDMRKQP-QAGGRKNESA-N 2 0 464.629 -0.988 20 0 JBADRP NC(=O)C1CC[NH+](CCC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CC1 ZINC001180609174 1068720602 /nfs/dbraw/zinc/72/06/02/1068720602.db2.gz PQSBQHRFFXRFRP-ZWKOTPCHSA-N 2 0 476.603 -0.595 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC[NH+]2CCC(C(N)=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180612781 1068717946 /nfs/dbraw/zinc/71/79/46/1068717946.db2.gz HXUPJEMGIVXICP-BDCMKUQMSA-N 3 0 471.643 -0.131 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC[NH+]2CCC(C(N)=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180612782 1068717999 /nfs/dbraw/zinc/71/79/99/1068717999.db2.gz HXUPJEMGIVXICP-FHHGAAIESA-N 3 0 471.643 -0.131 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC[NH+]2CCC(C(N)=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180612783 1068718314 /nfs/dbraw/zinc/71/83/14/1068718314.db2.gz HXUPJEMGIVXICP-LDAQOBCYSA-N 3 0 471.643 -0.131 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC[NH+]2CCC(C(N)=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180612784 1068718218 /nfs/dbraw/zinc/71/82/18/1068718218.db2.gz HXUPJEMGIVXICP-SPAGYVKCSA-N 3 0 471.643 -0.131 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CC[NH+]2CCC(C(N)=O)CC2)c2nonc21 ZINC001180612959 1068718114 /nfs/dbraw/zinc/71/81/14/1068718114.db2.gz KBRXOQMJBZZKLL-UHFFFAOYSA-N 2 0 467.552 -0.648 20 0 JBADRP COCCN1C[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+])CC1=O ZINC001180895024 1068725689 /nfs/dbraw/zinc/72/56/89/1068725689.db2.gz NNYHVKDHJPUYGE-AMNGPSDASA-N 2 0 458.600 -0.223 20 0 JBADRP COCCN1C[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+])CC1=O ZINC001180895025 1068725456 /nfs/dbraw/zinc/72/54/56/1068725456.db2.gz NNYHVKDHJPUYGE-IOMVJJOJSA-N 2 0 458.600 -0.223 20 0 JBADRP COCCN1C[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+])CC1=O ZINC001180895026 1068725556 /nfs/dbraw/zinc/72/55/56/1068725556.db2.gz NNYHVKDHJPUYGE-KGZQOUKRSA-N 2 0 458.600 -0.223 20 0 JBADRP COCCN1C[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+])CC1=O ZINC001180895027 1068725724 /nfs/dbraw/zinc/72/57/24/1068725724.db2.gz NNYHVKDHJPUYGE-PWWDJQEMSA-N 2 0 458.600 -0.223 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC[NH+](CC1)CC3)c(N)nc2=O ZINC001181553167 1068733361 /nfs/dbraw/zinc/73/33/61/1068733361.db2.gz UMPXFCLTSQPKAZ-GJZGRUSLSA-N 2 0 491.549 -0.837 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC[NH+](CC1)CC3)c(N)nc2=O ZINC001181553168 1068733293 /nfs/dbraw/zinc/73/32/93/1068733293.db2.gz UMPXFCLTSQPKAZ-LSDHHAIUSA-N 2 0 491.549 -0.837 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C12CC[NH+](CC1)CC2)C(N)=O ZINC001181556254 1068733164 /nfs/dbraw/zinc/73/31/64/1068733164.db2.gz YYMJIBNLPAOVFV-FHWLQOOXSA-N 2 0 478.638 -0.297 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@@H+](C(C)C)C1)C(N)=O ZINC001181981250 1068738509 /nfs/dbraw/zinc/73/85/09/1068738509.db2.gz WRRLNYZQSURGMO-FYQPLNBISA-N 2 0 480.654 -0.052 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[N@@H+](C(C)C)C1)C(N)=O ZINC001181981251 1068738683 /nfs/dbraw/zinc/73/86/83/1068738683.db2.gz WRRLNYZQSURGMO-MUGJNUQGSA-N 2 0 480.654 -0.052 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982263 1068738626 /nfs/dbraw/zinc/73/86/26/1068738626.db2.gz NRDBAKNFSUNMIK-HRCADAONSA-N 2 0 493.565 -0.593 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982264 1068738658 /nfs/dbraw/zinc/73/86/58/1068738658.db2.gz NRDBAKNFSUNMIK-JYJNAYRXSA-N 2 0 493.565 -0.593 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982265 1068738989 /nfs/dbraw/zinc/73/89/89/1068738989.db2.gz NRDBAKNFSUNMIK-OWCLPIDISA-N 2 0 493.565 -0.593 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@@H+](C(C)C)C1)c(N)nc2=O ZINC001181982266 1068739127 /nfs/dbraw/zinc/73/91/27/1068739127.db2.gz NRDBAKNFSUNMIK-PMPSAXMXSA-N 2 0 493.565 -0.593 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C)CC[NH+](C)CC1)c(N)nc2=O ZINC001181989993 1068739186 /nfs/dbraw/zinc/73/91/86/1068739186.db2.gz GLEQFKNFCSEJTM-GJZGRUSLSA-N 2 0 493.565 -0.591 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1(C)CC[NH+](C)CC1)c(N)nc2=O ZINC001181989994 1068739039 /nfs/dbraw/zinc/73/90/39/1068739039.db2.gz GLEQFKNFCSEJTM-LSDHHAIUSA-N 2 0 493.565 -0.591 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(C)CC[NH+](C)CC1)C(N)=O ZINC001181992813 1068739316 /nfs/dbraw/zinc/73/93/16/1068739316.db2.gz BFBCVRISTVPIQZ-FHWLQOOXSA-N 2 0 480.654 -0.051 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001182013434 1068739931 /nfs/dbraw/zinc/73/99/31/1068739931.db2.gz CXQUDNKLSNFCPJ-FYQPLNBISA-N 2 0 478.638 -0.441 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001182013440 1068740003 /nfs/dbraw/zinc/74/00/03/1068740003.db2.gz CXQUDNKLSNFCPJ-MUGJNUQGSA-N 2 0 478.638 -0.441 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016212 1068739846 /nfs/dbraw/zinc/73/98/46/1068739846.db2.gz DINLEPSYCKFGEP-ARFHVFGLSA-N 2 0 491.549 -0.981 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016215 1068739770 /nfs/dbraw/zinc/73/97/70/1068739770.db2.gz DINLEPSYCKFGEP-HRCADAONSA-N 2 0 491.549 -0.981 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016217 1068739943 /nfs/dbraw/zinc/73/99/43/1068739943.db2.gz DINLEPSYCKFGEP-JYJNAYRXSA-N 2 0 491.549 -0.981 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH+]3CCC1CC3)c(N)nc2=O ZINC001182016220 1068739878 /nfs/dbraw/zinc/73/98/78/1068739878.db2.gz DINLEPSYCKFGEP-XHSDSOJGSA-N 2 0 491.549 -0.981 20 0 JBADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182040835 1068739630 /nfs/dbraw/zinc/73/96/30/1068739630.db2.gz TXBYQZSUVVEILI-VPTAFFCTSA-N 2 0 497.556 -0.304 20 0 JBADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001182342905 1068744921 /nfs/dbraw/zinc/74/49/21/1068744921.db2.gz GTXOZWWFXCZZKK-HMFTUFPWSA-N 2 0 497.556 -0.386 20 0 JBADRP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001182342906 1068744974 /nfs/dbraw/zinc/74/49/74/1068744974.db2.gz GTXOZWWFXCZZKK-PXBBLBRZSA-N 2 0 497.556 -0.386 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001183025523 1068758786 /nfs/dbraw/zinc/75/87/86/1068758786.db2.gz OZWBROOTPKUXRI-KISBBLTOSA-N 2 0 450.602 -0.827 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001183025528 1068758570 /nfs/dbraw/zinc/75/85/70/1068758570.db2.gz OZWBROOTPKUXRI-NBGIZXCLSA-N 2 0 450.602 -0.827 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001183025530 1068758756 /nfs/dbraw/zinc/75/87/56/1068758756.db2.gz OZWBROOTPKUXRI-WRHRSQKMSA-N 2 0 450.602 -0.827 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001183025532 1068758726 /nfs/dbraw/zinc/75/87/26/1068758726.db2.gz OZWBROOTPKUXRI-XEQYVGRISA-N 2 0 450.602 -0.827 20 0 JBADRP CC(C)[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[NH+](C)C ZINC001183365587 1068765543 /nfs/dbraw/zinc/76/55/43/1068765543.db2.gz GZKUKGYQFUQERE-CADBVGFASA-N 2 0 468.643 -0.197 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)c(N)nc2=O ZINC001183373770 1068765607 /nfs/dbraw/zinc/76/56/07/1068765607.db2.gz GXZAZNRSIRPVFY-LJISPDSOSA-N 2 0 479.538 -0.983 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)c(N)nc2=O ZINC001183373771 1068765791 /nfs/dbraw/zinc/76/57/91/1068765791.db2.gz GXZAZNRSIRPVFY-XGUBFFRZSA-N 2 0 479.538 -0.983 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C(N)=O ZINC001183379778 1068766471 /nfs/dbraw/zinc/76/64/71/1068766471.db2.gz QSDKDNIIUQBPDI-PJVZLEMVSA-N 2 0 466.627 -0.443 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001183563884 1068769861 /nfs/dbraw/zinc/76/98/61/1068769861.db2.gz WOTQCGCJFWGZEH-FHWLQOOXSA-N 2 0 478.638 -0.154 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[nH]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183663948 1068772591 /nfs/dbraw/zinc/77/25/91/1068772591.db2.gz IIVLGCSVUNMZBW-GMQBINHVSA-N 2 0 459.519 -0.616 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[nH]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183663958 1068772497 /nfs/dbraw/zinc/77/24/97/1068772497.db2.gz IIVLGCSVUNMZBW-XQOWAHPQSA-N 2 0 459.519 -0.616 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[nH]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183663961 1068773414 /nfs/dbraw/zinc/77/34/14/1068773414.db2.gz IIVLGCSVUNMZBW-YAHCAUEQSA-N 2 0 459.519 -0.616 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[nH]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183663964 1068773134 /nfs/dbraw/zinc/77/31/34/1068773134.db2.gz IIVLGCSVUNMZBW-ZEMYDDBRSA-N 2 0 459.519 -0.616 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCCC[NH+](C)C)c(N)nc2=O ZINC001184060803 1068781001 /nfs/dbraw/zinc/78/10/01/1068781001.db2.gz RSJRXKWQVCCKFJ-GOEBONIOSA-N 2 0 481.554 -0.591 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCCC[NH+](C)C)c(N)nc2=O ZINC001184060804 1068780976 /nfs/dbraw/zinc/78/09/76/1068780976.db2.gz RSJRXKWQVCCKFJ-HOCLYGCPSA-N 2 0 481.554 -0.591 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCCC[NH+](C)C)C(N)=O ZINC001184061969 1068781425 /nfs/dbraw/zinc/78/14/25/1068781425.db2.gz FISYMODDAOFUNR-BJLQDIEVSA-N 2 0 468.643 -0.051 20 0 JBADRP C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093304 1068781388 /nfs/dbraw/zinc/78/13/88/1068781388.db2.gz KQVMOKJIPMDTPP-BJMDFFDQSA-N 2 0 471.599 -0.935 20 0 JBADRP C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093312 1068781485 /nfs/dbraw/zinc/78/14/85/1068781485.db2.gz KQVMOKJIPMDTPP-FKNKGANVSA-N 2 0 471.599 -0.935 20 0 JBADRP C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093313 1068781949 /nfs/dbraw/zinc/78/19/49/1068781949.db2.gz KQVMOKJIPMDTPP-UBUNSGPBSA-N 2 0 471.599 -0.935 20 0 JBADRP C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093314 1068782033 /nfs/dbraw/zinc/78/20/33/1068782033.db2.gz KQVMOKJIPMDTPP-VPDTWJRYSA-N 2 0 471.599 -0.935 20 0 JBADRP CCOC(=O)N[C@@H](CC(N)=O)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+] ZINC001185875269 1068812750 /nfs/dbraw/zinc/81/27/50/1068812750.db2.gz TXEZABKXGUQLLZ-CRNFWKIRSA-N 2 0 475.587 -0.728 20 0 JBADRP CCOC(=O)N[C@@H](CC(N)=O)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+] ZINC001185875282 1068812958 /nfs/dbraw/zinc/81/29/58/1068812958.db2.gz TXEZABKXGUQLLZ-HIEHLROGSA-N 2 0 475.587 -0.728 20 0 JBADRP CCOC(=O)N[C@@H](CC(N)=O)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+] ZINC001185875285 1068812829 /nfs/dbraw/zinc/81/28/29/1068812829.db2.gz TXEZABKXGUQLLZ-QRUMWZDFSA-N 2 0 475.587 -0.728 20 0 JBADRP CCOC(=O)N[C@@H](CC(N)=O)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+] ZINC001185875288 1068812985 /nfs/dbraw/zinc/81/29/85/1068812985.db2.gz TXEZABKXGUQLLZ-TVNKEZSYSA-N 2 0 475.587 -0.728 20 0 JBADRP COC(=O)[C@H]1CCN(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+])C1 ZINC001186116263 1068817866 /nfs/dbraw/zinc/81/78/66/1068817866.db2.gz CNATVMUQURFWKA-GAKQYBQZSA-N 2 0 458.600 -0.223 20 0 JBADRP COC(=O)[C@H]1CCN(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+])C1 ZINC001186116264 1068817758 /nfs/dbraw/zinc/81/77/58/1068817758.db2.gz CNATVMUQURFWKA-MNIZTNQSSA-N 2 0 458.600 -0.223 20 0 JBADRP COC(=O)[C@H]1CCN(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+])C1 ZINC001186116265 1068818097 /nfs/dbraw/zinc/81/80/97/1068818097.db2.gz CNATVMUQURFWKA-ODGNUVPMSA-N 2 0 458.600 -0.223 20 0 JBADRP COC(=O)[C@H]1CCN(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+])C1 ZINC001186116266 1068817948 /nfs/dbraw/zinc/81/79/48/1068817948.db2.gz CNATVMUQURFWKA-TWTKXFDXSA-N 2 0 458.600 -0.223 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC[N@H+](C)C1)c(N)nc2=O ZINC001186361626 1068820530 /nfs/dbraw/zinc/82/05/30/1068820530.db2.gz BVFVVSWNVOYNDS-KKUMJFAQSA-N 2 0 479.538 -0.981 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC[N@H+](C)C1)c(N)nc2=O ZINC001186361627 1068820723 /nfs/dbraw/zinc/82/07/23/1068820723.db2.gz BVFVVSWNVOYNDS-SOUVJXGZSA-N 2 0 479.538 -0.981 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@H+](C)C1)C(N)=O ZINC001186370102 1068820483 /nfs/dbraw/zinc/82/04/83/1068820483.db2.gz QIHLYKPWOBILJO-VJANTYMQSA-N 2 0 466.627 -0.441 20 0 JBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186650399 1068848928 /nfs/dbraw/zinc/84/89/28/1068848928.db2.gz DHEQNMVBBOHSCG-UONOGXRCSA-N 2 0 457.576 -0.286 20 0 JBADRP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001186667371 1068838568 /nfs/dbraw/zinc/83/85/68/1068838568.db2.gz ZLTVJAQZTPMKJB-SFTDATJTSA-N 2 0 480.654 -0.164 20 0 JBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186670261 1068840010 /nfs/dbraw/zinc/84/00/10/1068840010.db2.gz BDSMSSONBSUOJG-IRXDYDNUSA-N 2 0 451.572 -0.832 20 0 JBADRP CC(=O)N[C@H](C)C(=O)O[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+] ZINC001186727657 1068853874 /nfs/dbraw/zinc/85/38/74/1068853874.db2.gz YDTZQYYRAPANTC-BOHKUYKMSA-N 2 0 474.599 -0.262 20 0 JBADRP CC(=O)N[C@H](C)C(=O)O[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+] ZINC001186727658 1068854230 /nfs/dbraw/zinc/85/42/30/1068854230.db2.gz YDTZQYYRAPANTC-PHFGLYELSA-N 2 0 474.599 -0.262 20 0 JBADRP CC(=O)N[C@H](C)C(=O)O[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+] ZINC001186727659 1068853971 /nfs/dbraw/zinc/85/39/71/1068853971.db2.gz YDTZQYYRAPANTC-WSNIIEKZSA-N 2 0 474.599 -0.262 20 0 JBADRP CC(=O)N[C@H](C)C(=O)O[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+] ZINC001186727660 1068854083 /nfs/dbraw/zinc/85/40/83/1068854083.db2.gz YDTZQYYRAPANTC-XJJLGQBCSA-N 2 0 474.599 -0.262 20 0 JBADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186940748 1068857284 /nfs/dbraw/zinc/85/72/84/1068857284.db2.gz VEUBAOARLQMHMD-RPLGYBLPSA-N 2 0 483.529 -0.573 20 0 JBADRP C[NH+]1CCC(c2ccc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)cc2)CC1 ZINC001188321009 1068871179 /nfs/dbraw/zinc/87/11/79/1068871179.db2.gz XONXKIMUMDZVQL-RPLGYBLPSA-N 2 0 483.529 -0.749 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)cc(C(N)=O)o2)[C@H](O)OC(C)(C)C)C1 ZINC001196209744 1068936479 /nfs/dbraw/zinc/93/64/79/1068936479.db2.gz QEEUZHCHNLHDER-ACTUHIPCSA-N 2 0 454.524 -0.352 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)cc(C(N)=O)o2)[C@@H](O)OC(C)(C)C)C1 ZINC001196209748 1068936638 /nfs/dbraw/zinc/93/66/38/1068936638.db2.gz QEEUZHCHNLHDER-CMHQWKDGSA-N 2 0 454.524 -0.352 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)cc(C(N)=O)o2)[C@H](O)OC(C)(C)C)C1 ZINC001196209749 1068936505 /nfs/dbraw/zinc/93/65/05/1068936505.db2.gz QEEUZHCHNLHDER-FXZWHMERSA-N 2 0 454.524 -0.352 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)cc(C(N)=O)o2)[C@@H](O)OC(C)(C)C)C1 ZINC001196209750 1068936536 /nfs/dbraw/zinc/93/65/36/1068936536.db2.gz QEEUZHCHNLHDER-XCAZAXBASA-N 2 0 454.524 -0.352 20 0 JBADRP COCCn1cc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001197712464 1068946994 /nfs/dbraw/zinc/94/69/94/1068946994.db2.gz IBHFDONBADKUTE-GAOXESHGSA-N 2 0 469.583 -0.201 20 0 JBADRP COCCn1cc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001197712468 1068946901 /nfs/dbraw/zinc/94/69/01/1068946901.db2.gz IBHFDONBADKUTE-GQXXFKRGSA-N 2 0 469.583 -0.201 20 0 JBADRP COCCn1cc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001197712470 1068947028 /nfs/dbraw/zinc/94/70/28/1068947028.db2.gz IBHFDONBADKUTE-KDBGDGBXSA-N 2 0 469.583 -0.201 20 0 JBADRP COCCn1cc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001197712472 1068946960 /nfs/dbraw/zinc/94/69/60/1068946960.db2.gz IBHFDONBADKUTE-MOMZRRJVSA-N 2 0 469.583 -0.201 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1c[nH+]ccc1N(C)C)C(N)=O ZINC001199355908 1068961176 /nfs/dbraw/zinc/96/11/76/1068961176.db2.gz PDLUGZFTRLIEBE-IHPCNDPISA-N 2 0 489.621 -0.008 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)C(=O)CF ZINC001218515274 1069508254 /nfs/dbraw/zinc/50/82/54/1069508254.db2.gz DLKVTMJOYQFMJC-WJPUGNRLSA-N 2 0 493.584 -0.327 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C(=O)CF ZINC001218533749 1069508090 /nfs/dbraw/zinc/50/80/90/1069508090.db2.gz OGMYZMJEENWMMF-BTIUKSQHSA-N 2 0 470.571 -0.201 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C(=O)CF ZINC001218533750 1069508161 /nfs/dbraw/zinc/50/81/61/1069508161.db2.gz OGMYZMJEENWMMF-QTFJUKGGSA-N 2 0 470.571 -0.201 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218620668 1069510836 /nfs/dbraw/zinc/51/08/36/1069510836.db2.gz QMFJYBGUUGIBIF-SFTDATJTSA-N 2 0 489.621 -0.658 20 0 JBADRP Nc1cn(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)ccc1=[NH+]CCN1CCOCC1 ZINC001218622062 1069510957 /nfs/dbraw/zinc/51/09/57/1069510957.db2.gz ZJUCMPBYWSKCOV-FQEVSTJZSA-N 2 0 452.519 -0.305 20 0 JBADRP Nc1cn(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)ccc1=[NH+]CCN1CCOCC1 ZINC001218622069 1069510780 /nfs/dbraw/zinc/51/07/80/1069510780.db2.gz ZJUCMPBYWSKCOV-HXUWFJFHSA-N 2 0 452.519 -0.305 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(c1ncccc1N)C1CC[NH2+]CC1)C(=O)CF ZINC001218695939 1069517544 /nfs/dbraw/zinc/51/75/44/1069517544.db2.gz KSWOIQLMSVAYIK-VHFSOBRXSA-N 2 0 493.584 -0.350 20 0 JBADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001218703496 1069517468 /nfs/dbraw/zinc/51/74/68/1069517468.db2.gz DQPISENPNVEACF-INIZCTEOSA-N 2 0 452.519 -0.377 20 0 JBADRP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001218703498 1069517359 /nfs/dbraw/zinc/51/73/59/1069517359.db2.gz DQPISENPNVEACF-MRXNPFEDSA-N 2 0 452.519 -0.377 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1)C(=O)CF ZINC001218710983 1069518169 /nfs/dbraw/zinc/51/81/69/1069518169.db2.gz JTRLRYLTKCUCMQ-JPVZDGGYSA-N 2 0 454.503 -0.061 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1)C(=O)CF ZINC001218710984 1069518043 /nfs/dbraw/zinc/51/80/43/1069518043.db2.gz JTRLRYLTKCUCMQ-XBPIAWKYSA-N 2 0 454.503 -0.061 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1)C(=O)CF ZINC001218725580 1069518257 /nfs/dbraw/zinc/51/82/57/1069518257.db2.gz YAOREYWINSLKPX-LFRPXUGBSA-N 2 0 493.584 -0.151 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C(=O)CF ZINC001218726106 1069518140 /nfs/dbraw/zinc/51/81/40/1069518140.db2.gz BCDZQMKCYVLECS-YEOLMYPVSA-N 2 0 480.541 -0.338 20 0 JBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218754715 1069519327 /nfs/dbraw/zinc/51/93/27/1069519327.db2.gz VEODQBZFLTYGGJ-WHOHXGKFSA-N 2 0 490.302 -0.319 20 0 JBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218754716 1069519480 /nfs/dbraw/zinc/51/94/80/1069519480.db2.gz VEODQBZFLTYGGJ-WISYIIOYSA-N 2 0 490.302 -0.319 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775200 1069520902 /nfs/dbraw/zinc/52/09/02/1069520902.db2.gz AOQVVMVSHAUMBA-QLFBSQMISA-N 3 0 453.975 -0.917 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775205 1069520648 /nfs/dbraw/zinc/52/06/48/1069520648.db2.gz AOQVVMVSHAUMBA-RBSFLKMASA-N 3 0 453.975 -0.917 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775207 1069520871 /nfs/dbraw/zinc/52/08/71/1069520871.db2.gz AOQVVMVSHAUMBA-RRFJBIMHSA-N 3 0 453.975 -0.917 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775208 1069520620 /nfs/dbraw/zinc/52/06/20/1069520620.db2.gz AOQVVMVSHAUMBA-SOUVJXGZSA-N 3 0 453.975 -0.917 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775449 1069520936 /nfs/dbraw/zinc/52/09/36/1069520936.db2.gz CFIFWVHSOXMBBK-HZSPNIEDSA-N 2 0 472.999 -0.956 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775452 1069520583 /nfs/dbraw/zinc/52/05/83/1069520583.db2.gz CFIFWVHSOXMBBK-IHRRRGAJSA-N 2 0 472.999 -0.956 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775453 1069520825 /nfs/dbraw/zinc/52/08/25/1069520825.db2.gz CFIFWVHSOXMBBK-MELADBBJSA-N 2 0 472.999 -0.956 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775454 1069520761 /nfs/dbraw/zinc/52/07/61/1069520761.db2.gz CFIFWVHSOXMBBK-RDBSUJKOSA-N 2 0 472.999 -0.956 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776157 1069520679 /nfs/dbraw/zinc/52/06/79/1069520679.db2.gz KIPFKJATCMIDBU-AJNGGQMLSA-N 2 0 451.959 -0.627 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776164 1069520769 /nfs/dbraw/zinc/52/07/69/1069520769.db2.gz KIPFKJATCMIDBU-CBBWQLFWSA-N 2 0 451.959 -0.627 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776165 1069520696 /nfs/dbraw/zinc/52/06/96/1069520696.db2.gz KIPFKJATCMIDBU-QPSCCSFWSA-N 2 0 451.959 -0.627 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776168 1069521265 /nfs/dbraw/zinc/52/12/65/1069521265.db2.gz KIPFKJATCMIDBU-ZQDZILKHSA-N 2 0 451.959 -0.627 20 0 JBADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777445 1069521345 /nfs/dbraw/zinc/52/13/45/1069521345.db2.gz IIJSXTHVXCUSQZ-HLLBOEOZSA-N 2 0 490.996 -0.047 20 0 JBADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777448 1069521291 /nfs/dbraw/zinc/52/12/91/1069521291.db2.gz IIJSXTHVXCUSQZ-VYDXJSESSA-N 2 0 490.996 -0.047 20 0 JBADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777450 1069521432 /nfs/dbraw/zinc/52/14/32/1069521432.db2.gz IIJSXTHVXCUSQZ-YQQAZPJKSA-N 2 0 490.996 -0.047 20 0 JBADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777451 1069521317 /nfs/dbraw/zinc/52/13/17/1069521317.db2.gz IIJSXTHVXCUSQZ-ZOBUZTSGSA-N 2 0 490.996 -0.047 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778890 1069521822 /nfs/dbraw/zinc/52/18/22/1069521822.db2.gz LXUNLMCTVRJGJX-ILXRZTDVSA-N 2 0 460.970 -0.222 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778899 1069521749 /nfs/dbraw/zinc/52/17/49/1069521749.db2.gz LXUNLMCTVRJGJX-KKUMJFAQSA-N 2 0 460.970 -0.222 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778901 1069521872 /nfs/dbraw/zinc/52/18/72/1069521872.db2.gz LXUNLMCTVRJGJX-QLFBSQMISA-N 2 0 460.970 -0.222 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778903 1069521860 /nfs/dbraw/zinc/52/18/60/1069521860.db2.gz LXUNLMCTVRJGJX-SOUVJXGZSA-N 2 0 460.970 -0.222 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779063 1069521831 /nfs/dbraw/zinc/52/18/31/1069521831.db2.gz VIEWHESWWYFDFM-FXUDXRNXSA-N 3 0 483.017 -0.923 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779066 1069521881 /nfs/dbraw/zinc/52/18/81/1069521881.db2.gz VIEWHESWWYFDFM-UGUYLWEFSA-N 3 0 483.017 -0.923 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779067 1069521786 /nfs/dbraw/zinc/52/17/86/1069521786.db2.gz VIEWHESWWYFDFM-VGWMRTNUSA-N 3 0 483.017 -0.923 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779068 1069521955 /nfs/dbraw/zinc/52/19/55/1069521955.db2.gz VIEWHESWWYFDFM-YHUYYLMFSA-N 3 0 483.017 -0.923 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780445 1069521777 /nfs/dbraw/zinc/52/17/77/1069521777.db2.gz ZJGDFOIQSWYFEN-AXWNUGKVSA-N 2 0 471.949 -0.261 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780446 1069521848 /nfs/dbraw/zinc/52/18/48/1069521848.db2.gz ZJGDFOIQSWYFEN-QQNGTQHZSA-N 2 0 471.949 -0.261 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780447 1069521934 /nfs/dbraw/zinc/52/19/34/1069521934.db2.gz ZJGDFOIQSWYFEN-YJCWTPFXSA-N 2 0 471.949 -0.261 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780448 1069522278 /nfs/dbraw/zinc/52/22/78/1069522278.db2.gz ZJGDFOIQSWYFEN-ZEGPQOMJSA-N 2 0 471.949 -0.261 20 0 JBADRP Nc1ncn(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780594 1069522335 /nfs/dbraw/zinc/52/23/35/1069522335.db2.gz NRFLWTKUUKWYDM-HRCADAONSA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780596 1069522463 /nfs/dbraw/zinc/52/24/63/1069522463.db2.gz NRFLWTKUUKWYDM-JYJNAYRXSA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780598 1069522427 /nfs/dbraw/zinc/52/24/27/1069522427.db2.gz NRFLWTKUUKWYDM-OWCLPIDISA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780599 1069522285 /nfs/dbraw/zinc/52/22/85/1069522285.db2.gz NRFLWTKUUKWYDM-PMPSAXMXSA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781117 1069522396 /nfs/dbraw/zinc/52/23/96/1069522396.db2.gz PEAAFBHWHXMCIC-IIAWOOMASA-N 2 0 454.959 -0.109 20 0 JBADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781121 1069522516 /nfs/dbraw/zinc/52/25/16/1069522516.db2.gz PEAAFBHWHXMCIC-IJEWVQPXSA-N 2 0 454.959 -0.109 20 0 JBADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781124 1069522369 /nfs/dbraw/zinc/52/23/69/1069522369.db2.gz PEAAFBHWHXMCIC-OFQRWUPVSA-N 2 0 454.959 -0.109 20 0 JBADRP Nc1ncn(C(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781130 1069522306 /nfs/dbraw/zinc/52/23/06/1069522306.db2.gz PEAAFBHWHXMCIC-SQWLQELKSA-N 2 0 454.959 -0.109 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781491 1069522488 /nfs/dbraw/zinc/52/24/88/1069522488.db2.gz SOCVWSCFOSVMAI-HZSPNIEDSA-N 2 0 461.958 -0.827 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781496 1069522507 /nfs/dbraw/zinc/52/25/07/1069522507.db2.gz SOCVWSCFOSVMAI-IHRRRGAJSA-N 2 0 461.958 -0.827 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781498 1069522420 /nfs/dbraw/zinc/52/24/20/1069522420.db2.gz SOCVWSCFOSVMAI-MELADBBJSA-N 2 0 461.958 -0.827 20 0 JBADRP Nc1ncn(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781500 1069522299 /nfs/dbraw/zinc/52/22/99/1069522299.db2.gz SOCVWSCFOSVMAI-RDBSUJKOSA-N 2 0 461.958 -0.827 20 0 JBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218785144 1069522872 /nfs/dbraw/zinc/52/28/72/1069522872.db2.gz RZEJWFBZGLSMIJ-FXUDXRNXSA-N 2 0 498.028 -0.237 20 0 JBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218785145 1069522962 /nfs/dbraw/zinc/52/29/62/1069522962.db2.gz RZEJWFBZGLSMIJ-UGUYLWEFSA-N 2 0 498.028 -0.237 20 0 JBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218785146 1069522931 /nfs/dbraw/zinc/52/29/31/1069522931.db2.gz RZEJWFBZGLSMIJ-VGWMRTNUSA-N 2 0 498.028 -0.237 20 0 JBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218785147 1069523342 /nfs/dbraw/zinc/52/33/42/1069523342.db2.gz RZEJWFBZGLSMIJ-YHUYYLMFSA-N 2 0 498.028 -0.237 20 0 JBADRP Nc1ncn(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785786 1069523889 /nfs/dbraw/zinc/52/38/89/1069523889.db2.gz VCWJZFHBNDRXRY-HRCADAONSA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785788 1069523878 /nfs/dbraw/zinc/52/38/78/1069523878.db2.gz VCWJZFHBNDRXRY-JYJNAYRXSA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785789 1069523791 /nfs/dbraw/zinc/52/37/91/1069523791.db2.gz VCWJZFHBNDRXRY-OWCLPIDISA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785791 1069523856 /nfs/dbraw/zinc/52/38/56/1069523856.db2.gz VCWJZFHBNDRXRY-PMPSAXMXSA-N 2 0 461.954 -0.684 20 0 JBADRP Nc1ncn(C(=O)c2csc(N3CC[NH2+]CC3)n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786638 1069523822 /nfs/dbraw/zinc/52/38/22/1069523822.db2.gz JGPXROFQTLOSTM-AAEUAGOBSA-N 2 0 452.972 -0.456 20 0 JBADRP Nc1ncn(C(=O)c2csc(N3CC[NH2+]CC3)n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786647 1069523872 /nfs/dbraw/zinc/52/38/72/1069523872.db2.gz JGPXROFQTLOSTM-DGCLKSJQSA-N 2 0 452.972 -0.456 20 0 JBADRP Nc1ncn(C(=O)c2csc(N3CC[NH2+]CC3)n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786654 1069523864 /nfs/dbraw/zinc/52/38/64/1069523864.db2.gz JGPXROFQTLOSTM-WCQYABFASA-N 2 0 452.972 -0.456 20 0 JBADRP Nc1ncn(C(=O)c2csc(N3CC[NH2+]CC3)n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786658 1069523810 /nfs/dbraw/zinc/52/38/10/1069523810.db2.gz JGPXROFQTLOSTM-YPMHNXCESA-N 2 0 452.972 -0.456 20 0 JBADRP Nc1ncn(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786713 1069523832 /nfs/dbraw/zinc/52/38/32/1069523832.db2.gz XNCGRRQKHJQAHG-ISWURRPUSA-N 2 0 471.949 -0.523 20 0 JBADRP Nc1ncn(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786719 1069523837 /nfs/dbraw/zinc/52/38/37/1069523837.db2.gz XNCGRRQKHJQAHG-OSMBCOQSSA-N 2 0 471.949 -0.523 20 0 JBADRP Nc1ncn(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786720 1069523903 /nfs/dbraw/zinc/52/39/03/1069523903.db2.gz XNCGRRQKHJQAHG-STECZYCISA-N 2 0 471.949 -0.523 20 0 JBADRP Nc1ncn(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786723 1069523846 /nfs/dbraw/zinc/52/38/46/1069523846.db2.gz XNCGRRQKHJQAHG-ZCPGHIKRSA-N 2 0 471.949 -0.523 20 0 JBADRP C[NH+]1CCN(c2cncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)c2)CC1 ZINC001218788217 1069524405 /nfs/dbraw/zinc/52/44/05/1069524405.db2.gz NBYGEUWGSWRJBV-PBHICJAKSA-N 2 0 460.970 -0.175 20 0 JBADRP C[NH+]1CCN(c2cncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)c2)CC1 ZINC001218788218 1069524232 /nfs/dbraw/zinc/52/42/32/1069524232.db2.gz NBYGEUWGSWRJBV-RHSMWYFYSA-N 2 0 460.970 -0.175 20 0 JBADRP C[NH+]1CCN(c2cncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)c2)CC1 ZINC001218788220 1069524262 /nfs/dbraw/zinc/52/42/62/1069524262.db2.gz NBYGEUWGSWRJBV-WMLDXEAASA-N 2 0 460.970 -0.175 20 0 JBADRP C[NH+]1CCN(c2cncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)c2)CC1 ZINC001218788221 1069524355 /nfs/dbraw/zinc/52/43/55/1069524355.db2.gz NBYGEUWGSWRJBV-YOEHRIQHSA-N 2 0 460.970 -0.175 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001218845745 1069525621 /nfs/dbraw/zinc/52/56/21/1069525621.db2.gz NMNCCVNRGUSESH-UHFFFAOYSA-N 2 0 495.584 -0.745 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)OC2(CC[NH2+]CC2)C1 ZINC001218878970 1069528256 /nfs/dbraw/zinc/52/82/56/1069528256.db2.gz KMGYIYDTRUMNHB-GFCCVEGCSA-N 2 0 481.984 -0.974 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)OC2(CC[NH2+]CC2)C1 ZINC001218878971 1069528345 /nfs/dbraw/zinc/52/83/45/1069528345.db2.gz KMGYIYDTRUMNHB-LBPRGKRZSA-N 2 0 481.984 -0.974 20 0 JBADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1Cl ZINC001218879124 1069528425 /nfs/dbraw/zinc/52/84/25/1069528425.db2.gz NUONVRHPMVNRCV-JTQLQIEISA-N 2 0 451.958 -0.553 20 0 JBADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1Cl ZINC001218879125 1069528229 /nfs/dbraw/zinc/52/82/29/1069528229.db2.gz NUONVRHPMVNRCV-SNVBAGLBSA-N 2 0 451.958 -0.553 20 0 JBADRP COc1cc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920231 1069529630 /nfs/dbraw/zinc/52/96/30/1069529630.db2.gz WERJBSFDRLTCRF-ZUOKHONESA-N 2 0 462.532 -0.003 20 0 JBADRP COc1ncnc(N(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962684 1069531149 /nfs/dbraw/zinc/53/11/49/1069531149.db2.gz LDYPGSIUHYRIQC-ZUOKHONESA-N 2 0 462.532 -0.003 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC001219019264 1069531745 /nfs/dbraw/zinc/53/17/45/1069531745.db2.gz XLLCLZQOMIGIPT-SJCJKPOMSA-N 2 0 468.514 -0.357 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc(N2CC[NH2+]CC2)c1)C(=O)CF ZINC001219119309 1069532799 /nfs/dbraw/zinc/53/27/99/1069532799.db2.gz WQRLXZVCJUBBTP-XERREHJYSA-N 2 0 478.569 -0.064 20 0 JBADRP COc1ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc1OCCCN1CC[NH+](C)CC1 ZINC001219314249 1069534186 /nfs/dbraw/zinc/53/41/86/1069534186.db2.gz BYEVKUBCQVGAOO-FUHWJXTLSA-N 2 0 478.594 -0.253 20 0 JBADRP COc1ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc1OCCCN1CC[NH+](C)CC1 ZINC001219314481 1069533911 /nfs/dbraw/zinc/53/39/11/1069533911.db2.gz JZOFPPKTLRJVRZ-UHFFFAOYSA-N 2 0 457.597 -0.130 20 0 JBADRP COc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc1OCCCN1CC[NH+](C)CC1 ZINC001219314774 1069534162 /nfs/dbraw/zinc/53/41/62/1069534162.db2.gz NGDTWHPXGGCUHF-RDJZCZTQSA-N 2 0 464.567 -0.643 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486295 1069534813 /nfs/dbraw/zinc/53/48/13/1069534813.db2.gz HAHFDRZUXLRHHM-IBGZPJMESA-N 2 0 458.563 -0.724 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486296 1069535452 /nfs/dbraw/zinc/53/54/52/1069535452.db2.gz HAHFDRZUXLRHHM-LJQANCHMSA-N 2 0 458.563 -0.724 20 0 JBADRP COc1cc2c(cc1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219504272 1069535441 /nfs/dbraw/zinc/53/54/41/1069535441.db2.gz RXSUJKZNOSGDDB-IEBOFQNGSA-N 2 0 458.519 -0.729 20 0 JBADRP COc1cc2c(cc1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504273 1069535368 /nfs/dbraw/zinc/53/53/68/1069535368.db2.gz RXSUJKZNOSGDDB-KFVPTDEHSA-N 2 0 458.519 -0.729 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)C(=O)CF ZINC001219537426 1069535342 /nfs/dbraw/zinc/53/53/42/1069535342.db2.gz MCMZSFGTVWYGKH-DVRPXPKASA-N 2 0 477.537 -0.026 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)C(=O)CF ZINC001219537427 1069535462 /nfs/dbraw/zinc/53/54/62/1069535462.db2.gz MCMZSFGTVWYGKH-FLMNJBQFSA-N 2 0 477.537 -0.026 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)C(=O)CF ZINC001219537428 1069535391 /nfs/dbraw/zinc/53/53/91/1069535391.db2.gz MCMZSFGTVWYGKH-SDPBFRHGSA-N 2 0 477.537 -0.026 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)C(=O)CF ZINC001219537429 1069535522 /nfs/dbraw/zinc/53/55/22/1069535522.db2.gz MCMZSFGTVWYGKH-ULQFAQFHSA-N 2 0 477.537 -0.026 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C(=O)CF ZINC001219610079 1069536106 /nfs/dbraw/zinc/53/61/06/1069536106.db2.gz KQMUEYJVIUPACM-BQNZHIODSA-N 2 0 455.453 -0.702 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C(=O)CF ZINC001219610080 1069536057 /nfs/dbraw/zinc/53/60/57/1069536057.db2.gz KQMUEYJVIUPACM-PMOCNGQXSA-N 2 0 455.453 -0.702 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccc2c(c1)CC[NH2+]C2)C(=O)CF ZINC001219705854 1069537785 /nfs/dbraw/zinc/53/77/85/1069537785.db2.gz QPMVBIGKYYVOTR-XQAUZQBESA-N 2 0 463.554 -0.150 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C(N)=O ZINC001219729385 1069538350 /nfs/dbraw/zinc/53/83/50/1069538350.db2.gz UZUIHVSWMJOACF-DFQSSKMNSA-N 3 0 458.607 -0.298 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C(N)=O ZINC001219729386 1069538504 /nfs/dbraw/zinc/53/85/04/1069538504.db2.gz UZUIHVSWMJOACF-YSIASYRMSA-N 3 0 458.607 -0.298 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C(=O)CF ZINC001219743349 1069538323 /nfs/dbraw/zinc/53/83/23/1069538323.db2.gz CIUJUPGPMUSEAE-FPXQBCRKSA-N 2 0 471.574 -0.695 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C(=O)CF ZINC001219743350 1069538261 /nfs/dbraw/zinc/53/82/61/1069538261.db2.gz CIUJUPGPMUSEAE-RCJHGTSTSA-N 2 0 471.574 -0.695 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCc3nnc4n3CCC[NH2+]C4)c2)cc1 ZINC001219745784 1069538195 /nfs/dbraw/zinc/53/81/95/1069538195.db2.gz BXOBLTKAMYESAE-QGZVFWFLSA-N 2 0 458.548 -0.300 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219751419 1069539147 /nfs/dbraw/zinc/53/91/47/1069539147.db2.gz RMMPWNWVNOTYTE-UWJYYQICSA-N 2 0 470.578 -0.785 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765982 1069538916 /nfs/dbraw/zinc/53/89/16/1069538916.db2.gz KCNJIZNKAWWOHI-AQCRLBJHSA-N 2 0 458.607 -0.777 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)C(=O)CF ZINC001219789427 1069539595 /nfs/dbraw/zinc/53/95/95/1069539595.db2.gz WIXICRSYQIXPRV-HPNQWNLUSA-N 2 0 480.585 -0.385 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)C(=O)CF ZINC001219789431 1069539808 /nfs/dbraw/zinc/53/98/08/1069539808.db2.gz WIXICRSYQIXPRV-STHPQGGCSA-N 2 0 480.585 -0.385 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CCN(C2CC[NH2+]CC2)CC1)C(=O)CF ZINC001219796039 1069539476 /nfs/dbraw/zinc/53/94/76/1069539476.db2.gz KDQCJEOVXIXXCG-XERREHJYSA-N 2 0 484.617 -0.780 20 0 JBADRP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796342 1069539731 /nfs/dbraw/zinc/53/97/31/1069539731.db2.gz WHQQWGMQCJFSGR-SFTDATJTSA-N 2 0 476.622 -0.563 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796425 1069539572 /nfs/dbraw/zinc/53/95/72/1069539572.db2.gz ZKVROONAWXZBRD-PMACEKPBSA-N 3 0 450.628 -0.282 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803719 1069539825 /nfs/dbraw/zinc/53/98/25/1069539825.db2.gz YAVLEYZWNQZGPE-DYXWJJEUSA-N 2 0 459.591 -0.302 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803721 1069539781 /nfs/dbraw/zinc/53/97/81/1069539781.db2.gz YAVLEYZWNQZGPE-ZJOUEHCJSA-N 2 0 459.591 -0.302 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219810911 1069540226 /nfs/dbraw/zinc/54/02/26/1069540226.db2.gz GZHLQQVKEMPGEE-UWJYYQICSA-N 2 0 456.547 -0.237 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1C[NH2+]Cc2ccsc21)C(=O)CF ZINC001219825937 1069540839 /nfs/dbraw/zinc/54/08/39/1069540839.db2.gz NTIDDQGNMDOAKZ-DPYKFYPSSA-N 2 0 455.556 -0.090 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1C[NH2+]Cc2ccsc21)C(=O)CF ZINC001219825941 1069540925 /nfs/dbraw/zinc/54/09/25/1069540925.db2.gz NTIDDQGNMDOAKZ-MJFSBKNWSA-N 2 0 455.556 -0.090 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@@H]3CO[C@]4(C3)C[NH2+]CCOC4)c2)cc1 ZINC001219834307 1069540951 /nfs/dbraw/zinc/54/09/51/1069540951.db2.gz PJWZOGJDRIOJHR-NQSCKRDGSA-N 2 0 477.587 -0.190 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@H]3CO[C@]4(C3)C[NH2+]CCOC4)c2)cc1 ZINC001219834308 1069540889 /nfs/dbraw/zinc/54/08/89/1069540889.db2.gz PJWZOGJDRIOJHR-UCNVEGJOSA-N 2 0 477.587 -0.190 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@H]3CO[C@@]4(C3)C[NH2+]CCOC4)c2)cc1 ZINC001219834309 1069541019 /nfs/dbraw/zinc/54/10/19/1069541019.db2.gz PJWZOGJDRIOJHR-WEYGHZABSA-N 2 0 477.587 -0.190 20 0 JBADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@@H]3CO[C@@]4(C3)C[NH2+]CCOC4)c2)cc1 ZINC001219834310 1069541038 /nfs/dbraw/zinc/54/10/38/1069541038.db2.gz PJWZOGJDRIOJHR-ZNLUXHQJSA-N 2 0 477.587 -0.190 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836704 1069540801 /nfs/dbraw/zinc/54/08/01/1069540801.db2.gz CUTIMPCONAJHKC-AWZJCTCXSA-N 2 0 489.617 -0.675 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836705 1069540970 /nfs/dbraw/zinc/54/09/70/1069540970.db2.gz CUTIMPCONAJHKC-KXWAPTNCSA-N 2 0 489.617 -0.675 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836706 1069541031 /nfs/dbraw/zinc/54/10/31/1069541031.db2.gz CUTIMPCONAJHKC-QIRSKFFZSA-N 2 0 489.617 -0.675 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836707 1069540908 /nfs/dbraw/zinc/54/09/08/1069540908.db2.gz CUTIMPCONAJHKC-VCWGXOKSSA-N 2 0 489.617 -0.675 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838868 1069541508 /nfs/dbraw/zinc/54/15/08/1069541508.db2.gz VQXTUQURWPYBLO-LIRWSHPHSA-N 2 0 467.611 -0.633 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838869 1069541601 /nfs/dbraw/zinc/54/16/01/1069541601.db2.gz VQXTUQURWPYBLO-MSLQOZETSA-N 2 0 467.611 -0.633 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838870 1069541613 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ZINC001219845845 1069542074 /nfs/dbraw/zinc/54/20/74/1069542074.db2.gz YZPOBPYNXOSMGP-KKSFZXQISA-N 2 0 452.577 -0.158 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852771 1069542607 /nfs/dbraw/zinc/54/26/07/1069542607.db2.gz ZIZGMOLJUIEGER-UERWRGBPSA-N 2 0 459.591 -0.446 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939207 1069543840 /nfs/dbraw/zinc/54/38/40/1069543840.db2.gz VUJHIKCAPVLSDB-ROUUACIJSA-N 2 0 467.592 -0.163 20 0 JBADRP CS(=O)(=O)N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccc(C[NH3+])cc1 ZINC001219939210 1069543978 /nfs/dbraw/zinc/54/39/78/1069543978.db2.gz VYJRSVCMGLVYMX-ROUUACIJSA-N 2 0 450.517 -0.809 20 0 JBADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)c2)CC1 ZINC001219961792 1069543900 /nfs/dbraw/zinc/54/39/00/1069543900.db2.gz WTGNLRDHOJYBQE-VXKWHMMOSA-N 2 0 455.559 -0.193 20 0 JBADRP COC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC001220001641 1069545041 /nfs/dbraw/zinc/54/50/41/1069545041.db2.gz UPZSURGFUPNSCX-HKUYNNGSSA-N 2 0 461.563 -0.775 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]([NH3+])CCC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012759 1069545393 /nfs/dbraw/zinc/54/53/93/1069545393.db2.gz BPBYTUWVKHRHSU-NJDAHSKKSA-N 3 0 482.589 -0.023 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]([NH3+])CCC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012765 1069545507 /nfs/dbraw/zinc/54/55/07/1069545507.db2.gz BPBYTUWVKHRHSU-QHAWAJNXSA-N 3 0 482.589 -0.023 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H](N)C[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012786 1069545488 /nfs/dbraw/zinc/54/54/88/1069545488.db2.gz CBTQKISIWLHMHF-CEXWTWQISA-N 2 0 454.535 -0.803 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@](C)([NH3+])CO)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012805 1069545627 /nfs/dbraw/zinc/54/56/27/1069545627.db2.gz CMRTXTHOGLKXQY-PWHSHALESA-N 2 0 469.546 -0.379 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3COC[C@H]3[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012810 1069545473 /nfs/dbraw/zinc/54/54/73/1069545473.db2.gz CNUQBVNUSQBRME-DOIPELPJSA-N 2 0 481.557 -0.115 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H](N)CC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012860 1069545542 /nfs/dbraw/zinc/54/55/42/1069545542.db2.gz CZJRUENZODOJLW-HSALFYBXSA-N 2 0 468.562 -0.413 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@H]([NH3+])CN3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012899 1069545354 /nfs/dbraw/zinc/54/53/54/1069545354.db2.gz DQNIFGXJRNQTSB-NASSWSRMSA-N 2 0 480.573 -0.400 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012900 1069545406 /nfs/dbraw/zinc/54/54/06/1069545406.db2.gz DQNIFGXJRNQTSB-RZXSNQJFSA-N 2 0 480.573 -0.400 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@]3(N)CCC[NH2+]C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012902 1069545621 /nfs/dbraw/zinc/54/56/21/1069545621.db2.gz DRMURBVPNGTXLH-DNRQZRRGSA-N 2 0 494.600 -0.008 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@]3(N)CCC[NH2+]C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012903 1069545516 /nfs/dbraw/zinc/54/55/16/1069545516.db2.gz DRMURBVPNGTXLH-OTPAQWSUSA-N 2 0 494.600 -0.008 20 0 JBADRP C[NH2+][C@@H](CO)C(=O)n1cnc(=Nc2cccc(OC)c2)c2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccn21 ZINC001220013032 1069546120 /nfs/dbraw/zinc/54/61/20/1069546120.db2.gz GSWNMGNBPLWROK-HSALFYBXSA-N 2 0 469.546 -0.509 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)C[NH2+]CCC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013051 1069546071 /nfs/dbraw/zinc/54/60/71/1069546071.db2.gz HAMGBHPUGREQLV-NHCUHLMSSA-N 3 0 482.589 -0.151 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]CCN3C)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013070 1069546105 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COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013161 1069545880 /nfs/dbraw/zinc/54/58/80/1069545880.db2.gz JXHWBXWWXWCKLK-MXEMCNAFSA-N 2 0 481.557 -0.509 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]C[C@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013162 1069545965 /nfs/dbraw/zinc/54/59/65/1069545965.db2.gz JXHWBXWWXWCKLK-XRXFAXGQSA-N 2 0 481.557 -0.509 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)CNCC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013198 1069546028 /nfs/dbraw/zinc/54/60/28/1069546028.db2.gz KXGSEHRRWRRZQR-WOJBJXKFSA-N 2 0 468.562 -0.541 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]([NH3+])[C@@H](C)O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013217 1069546134 /nfs/dbraw/zinc/54/61/34/1069546134.db2.gz LLANIZOMNAXNKD-DMSXTEQDSA-N 2 0 469.546 -0.381 20 0 JBADRP COC[C@H]([NH3+])C(=O)n1cnc(=Nc2cccc(OC)c2)c2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccn21 ZINC001220013220 1069545942 /nfs/dbraw/zinc/54/59/42/1069545942.db2.gz LTQSNJOTNMFLCD-HSALFYBXSA-N 2 0 469.546 -0.115 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]([NH3+])COC(C)=O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013235 1069546047 /nfs/dbraw/zinc/54/60/47/1069546047.db2.gz MGXVSVLNFLZLNK-QHAWAJNXSA-N 2 0 497.556 -0.199 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013244 1069545927 /nfs/dbraw/zinc/54/59/27/1069545927.db2.gz MYUIOAQDAQKGQP-FYZZASKESA-N 2 0 481.557 -0.366 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)C[C@H]([NH3+])CO)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013249 1069545916 /nfs/dbraw/zinc/54/59/16/1069545916.db2.gz NFSSFHXGIWBFNP-PWIZWCRZSA-N 2 0 469.546 -0.379 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3C[NH2+]C[C@@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013328 1069546144 /nfs/dbraw/zinc/54/61/44/1069546144.db2.gz RBOHOQQHPVYEFB-HGIWEUDGSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]C[C@@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013329 1069545991 /nfs/dbraw/zinc/54/59/91/1069545991.db2.gz RBOHOQQHPVYEFB-HVJHZFLKSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3C[NH2+]C[C@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013330 1069546005 /nfs/dbraw/zinc/54/60/05/1069546005.db2.gz RBOHOQQHPVYEFB-JHMKDJTOSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]C[C@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013331 1069546628 /nfs/dbraw/zinc/54/66/28/1069546628.db2.gz RBOHOQQHPVYEFB-RGMHLJPOSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3C[NH2+]CC[C@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013343 1069546439 /nfs/dbraw/zinc/54/64/39/1069546439.db2.gz RQKGKGMYCXKUNG-DXBBTUNJSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]CC[C@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013344 1069546454 /nfs/dbraw/zinc/54/64/54/1069546454.db2.gz RQKGKGMYCXKUNG-GXRSIYKFSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3C[NH2+]CC[C@@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013345 1069546575 /nfs/dbraw/zinc/54/65/75/1069546575.db2.gz RQKGKGMYCXKUNG-LNRXMEIDSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]CC[C@@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013346 1069546623 /nfs/dbraw/zinc/54/66/23/1069546623.db2.gz RQKGKGMYCXKUNG-YUMYIRISSA-N 2 0 495.584 -0.119 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)C[C@H](O)C[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013354 1069546563 /nfs/dbraw/zinc/54/65/63/1069546563.db2.gz RULUSTYNZVFIRF-DFQSSKMNSA-N 2 0 469.546 -0.379 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)C[C@@H](O)C[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013355 1069546603 /nfs/dbraw/zinc/54/66/03/1069546603.db2.gz RULUSTYNZVFIRF-MISYRCLQSA-N 2 0 469.546 -0.379 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3C[NH2+]CCO3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013361 1069546508 /nfs/dbraw/zinc/54/65/08/1069546508.db2.gz SJPWTZAIJXYSHU-NJDAHSKKSA-N 2 0 481.557 -0.101 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]CCO3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013362 1069546362 /nfs/dbraw/zinc/54/63/62/1069546362.db2.gz SJPWTZAIJXYSHU-NJYVYQBISA-N 2 0 481.557 -0.101 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3C[NH2+]CCN3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013400 1069546480 /nfs/dbraw/zinc/54/64/80/1069546480.db2.gz UORNFGFNQVQUAU-NJDAHSKKSA-N 2 0 480.573 -0.528 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[NH2+]CCN3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013401 1069546583 /nfs/dbraw/zinc/54/65/83/1069546583.db2.gz UORNFGFNQVQUAU-QHAWAJNXSA-N 2 0 480.573 -0.528 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3[NH2+]CC[C@@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013499 1069546468 /nfs/dbraw/zinc/54/64/68/1069546468.db2.gz YKAMISWUASIUAL-MHTWAQMVSA-N 2 0 481.557 -0.366 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@H]3[NH2+]CC[C@H]3O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013500 1069546389 /nfs/dbraw/zinc/54/63/89/1069546389.db2.gz YKAMISWUASIUAL-NCYKPQTJSA-N 2 0 481.557 -0.366 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@]3(N)CC[NH2+]C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013513 1069546342 /nfs/dbraw/zinc/54/63/42/1069546342.db2.gz ZDXVFTWNNLUXSH-REHUZNOOSA-N 2 0 480.573 -0.398 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)[C@@]3(N)CC[NH2+]C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013514 1069546496 /nfs/dbraw/zinc/54/64/96/1069546496.db2.gz ZDXVFTWNNLUXSH-YOSAUDMPSA-N 2 0 480.573 -0.398 20 0 JBADRP COc1cccc(N=c2ncn(C(=O)CN3CC[NH2+]CC3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013517 1069546552 /nfs/dbraw/zinc/54/65/52/1069546552.db2.gz ZGSDRKAMUJEYMQ-FGZHOGPDSA-N 2 0 494.600 -0.184 20 0 JBADRP C[NH2+][C@H](C(=O)n1cnc(=Nc2cccc(OC)c2)c2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccn21)[C@@H](C)O ZINC001220013537 1069546611 /nfs/dbraw/zinc/54/66/11/1069546611.db2.gz ZZSKQQDIPRSTNX-DOVSJBTNSA-N 2 0 483.573 -0.120 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1)C(=O)CF ZINC001220023124 1069547135 /nfs/dbraw/zinc/54/71/35/1069547135.db2.gz REAVFJLCOGSGOQ-MDKPJZGXSA-N 2 0 493.580 -0.356 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2)C(=O)CF ZINC001220025605 1069546988 /nfs/dbraw/zinc/54/69/88/1069546988.db2.gz SLHHKIAOAVPBPW-UWCDFFNFSA-N 2 0 470.571 -0.613 20 0 JBADRP COc1cc2cccnc2c(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)CCC[NH3+])c1 ZINC001220036250 1069547193 /nfs/dbraw/zinc/54/71/93/1069547193.db2.gz LSXOSBZETOBSNV-HNNXBMFYSA-N 2 0 487.561 -0.989 20 0 JBADRP COc1cc2cccnc2c(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H](C)CCC[NH3+])c1 ZINC001220036302 1069547097 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ZINC001220117408 1069548412 /nfs/dbraw/zinc/54/84/12/1069548412.db2.gz KRXUYZKPJXTDMP-CQSZACIVSA-N 2 0 457.516 -0.307 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001220120550 1069548291 /nfs/dbraw/zinc/54/82/91/1069548291.db2.gz HBKHEBUNSMBHCI-BBRMVZONSA-N 2 0 495.544 -0.629 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220121974 1069548329 /nfs/dbraw/zinc/54/83/29/1069548329.db2.gz CNQSUHSRBWJFSK-KUUHDYPXSA-N 2 0 479.538 -0.933 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220121979 1069548320 /nfs/dbraw/zinc/54/83/20/1069548320.db2.gz CNQSUHSRBWJFSK-QDUSTFBWSA-N 2 0 479.538 -0.933 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220121983 1069548353 /nfs/dbraw/zinc/54/83/53/1069548353.db2.gz CNQSUHSRBWJFSK-XLDJFRKUSA-N 2 0 479.538 -0.933 20 0 JBADRP 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LZWBTEJVGVLQLG-WATLYSKOSA-N 2 0 484.553 -0.327 20 0 JBADRP CCOC(=O)[C@H](NC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283028 1069554265 /nfs/dbraw/zinc/55/42/65/1069554265.db2.gz QXVLXIQEPHQLOO-OTWHNJEPSA-N 2 0 483.587 -0.376 20 0 JBADRP CCOC(=O)[C@H](NC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283031 1069554231 /nfs/dbraw/zinc/55/42/31/1069554231.db2.gz QXVLXIQEPHQLOO-QRVBRYPASA-N 2 0 483.587 -0.376 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319421 1069555161 /nfs/dbraw/zinc/55/51/61/1069555161.db2.gz GDELPZHPPSRYJL-HGBASVHRSA-N 2 0 459.591 -0.159 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319422 1069555333 /nfs/dbraw/zinc/55/53/33/1069555333.db2.gz GDELPZHPPSRYJL-OEEHMVQOSA-N 2 0 459.591 -0.159 20 0 JBADRP 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YBAJYXFLXUEDDW-IRXDYDNUSA-N 2 0 453.584 -0.471 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCCc2ccc(C[NH3+])nc21)C(=O)CF ZINC001220377007 1069555197 /nfs/dbraw/zinc/55/51/97/1069555197.db2.gz GWRXFGIXPRXLFG-AXHNFQJDSA-N 2 0 464.542 -0.279 20 0 JBADRP C[N@@H+]1C[C@@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001220433882 1069556628 /nfs/dbraw/zinc/55/66/28/1069556628.db2.gz MDAGSONTKLNXGA-IBGZPJMESA-N 2 0 452.577 -0.224 20 0 JBADRP C[N@@H+]1C[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001220433883 1069556735 /nfs/dbraw/zinc/55/67/35/1069556735.db2.gz MDAGSONTKLNXGA-LJQANCHMSA-N 2 0 452.577 -0.224 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433953 1069556594 /nfs/dbraw/zinc/55/65/94/1069556594.db2.gz PDIPSMVXSFIQSC-PMACEKPBSA-N 2 0 481.619 -0.229 20 0 JBADRP Cc1cnc2c(N(CC[NH3+])C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)nc3ccc(C)cc3n12 ZINC001220458463 1069556685 /nfs/dbraw/zinc/55/66/85/1069556685.db2.gz RZQXEVHHSDYQKA-GOEBONIOSA-N 2 0 454.535 -0.111 20 0 JBADRP CCOC(=O)c1ccc(OC(=O)CCCCCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc1 ZINC001220479334 1069557413 /nfs/dbraw/zinc/55/74/13/1069557413.db2.gz HUMMPAWQYRFGDY-YOEHRIQHSA-N 2 0 479.534 -0.125 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481494 1069557517 /nfs/dbraw/zinc/55/75/17/1069557517.db2.gz JFARNYJVHUMRFB-GMJQZYICSA-N 2 0 455.600 -0.304 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481495 1069557434 /nfs/dbraw/zinc/55/74/34/1069557434.db2.gz JFARNYJVHUMRFB-XHOAPHRNSA-N 2 0 455.600 -0.304 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481527 1069557363 /nfs/dbraw/zinc/55/73/63/1069557363.db2.gz JTAJQTDCTAUWEC-BCCAQXGJSA-N 2 0 477.606 -0.346 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481528 1069557473 /nfs/dbraw/zinc/55/74/73/1069557473.db2.gz JTAJQTDCTAUWEC-XHDCSNGUSA-N 2 0 477.606 -0.346 20 0 JBADRP CCOC(=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+] ZINC001220505429 1069558118 /nfs/dbraw/zinc/55/81/18/1069558118.db2.gz CKFMLECJLBEBHJ-CCAHHLFQSA-N 3 0 458.600 -0.319 20 0 JBADRP CCOC(=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+] ZINC001220505430 1069558090 /nfs/dbraw/zinc/55/80/90/1069558090.db2.gz CKFMLECJLBEBHJ-DIARQDRJSA-N 3 0 458.600 -0.319 20 0 JBADRP CCOC(=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+] ZINC001220505431 1069558211 /nfs/dbraw/zinc/55/82/11/1069558211.db2.gz CKFMLECJLBEBHJ-JCXBACLYSA-N 3 0 458.600 -0.319 20 0 JBADRP CCOC(=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+] ZINC001220505432 1069558139 /nfs/dbraw/zinc/55/81/39/1069558139.db2.gz CKFMLECJLBEBHJ-KUOKLQSHSA-N 3 0 458.600 -0.319 20 0 JBADRP CC(=O)NCSC[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+] ZINC001220505500 1069558161 /nfs/dbraw/zinc/55/81/61/1069558161.db2.gz DHSGSRDQFZDNLH-LAIMCUOGSA-N 3 0 463.645 -0.564 20 0 JBADRP CC(=O)NCSC[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+] ZINC001220505501 1069557839 /nfs/dbraw/zinc/55/78/39/1069557839.db2.gz DHSGSRDQFZDNLH-QQPKDZIPSA-N 3 0 463.645 -0.564 20 0 JBADRP CC(=O)NCSC[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+] ZINC001220505502 1069557988 /nfs/dbraw/zinc/55/79/88/1069557988.db2.gz DHSGSRDQFZDNLH-RKYZWWOHSA-N 3 0 463.645 -0.564 20 0 JBADRP CC(=O)NCSC[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+] ZINC001220505503 1069558242 /nfs/dbraw/zinc/55/82/42/1069558242.db2.gz DHSGSRDQFZDNLH-ZRLASGMHSA-N 3 0 463.645 -0.564 20 0 JBADRP CC(=O)NCCCC[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+] ZINC001220505565 1069557818 /nfs/dbraw/zinc/55/78/18/1069557818.db2.gz DYFMGGNWJXEYNU-PUFBLQPOSA-N 3 0 459.632 -0.084 20 0 JBADRP CC(=O)NCCCC[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+] ZINC001220505566 1069557937 /nfs/dbraw/zinc/55/79/37/1069557937.db2.gz DYFMGGNWJXEYNU-UMOCMGHHSA-N 3 0 459.632 -0.084 20 0 JBADRP CC(=O)NCCCC[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+] ZINC001220505567 1069558267 /nfs/dbraw/zinc/55/82/67/1069558267.db2.gz DYFMGGNWJXEYNU-VSOYCCJCSA-N 3 0 459.632 -0.084 20 0 JBADRP CC(=O)NCCCC[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+] ZINC001220505568 1069557891 /nfs/dbraw/zinc/55/78/91/1069557891.db2.gz DYFMGGNWJXEYNU-WVBSATCKSA-N 3 0 459.632 -0.084 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505792 1069558029 /nfs/dbraw/zinc/55/80/29/1069558029.db2.gz HUZCXKLYOYMGLG-CCHWJJJTSA-N 3 0 493.653 -0.175 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505793 1069558196 /nfs/dbraw/zinc/55/81/96/1069558196.db2.gz HUZCXKLYOYMGLG-OOGXMYNLSA-N 3 0 493.653 -0.175 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505794 1069558226 /nfs/dbraw/zinc/55/82/26/1069558226.db2.gz HUZCXKLYOYMGLG-WZWYJWBSSA-N 3 0 493.653 -0.175 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505795 1069557962 /nfs/dbraw/zinc/55/79/62/1069557962.db2.gz HUZCXKLYOYMGLG-ZNSTUHFMSA-N 3 0 493.653 -0.175 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505796 1069557871 /nfs/dbraw/zinc/55/78/71/1069557871.db2.gz HVAOOEKHAVYNBJ-CMORYLQASA-N 3 0 469.627 -0.602 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505797 1069558178 /nfs/dbraw/zinc/55/81/78/1069558178.db2.gz HVAOOEKHAVYNBJ-NNTVBWDZSA-N 3 0 469.627 -0.602 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505798 1069558061 /nfs/dbraw/zinc/55/80/61/1069558061.db2.gz HVAOOEKHAVYNBJ-PERWAPDVSA-N 3 0 469.627 -0.602 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505799 1069558756 /nfs/dbraw/zinc/55/87/56/1069558756.db2.gz HVAOOEKHAVYNBJ-PPQMTQGISA-N 3 0 469.627 -0.602 20 0 JBADRP CCn1nnc2c1[C@H](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+])CNC2 ZINC001220505800 1069558720 /nfs/dbraw/zinc/55/87/20/1069558720.db2.gz HYWRLDKITDPUAM-IWIZTMAASA-N 2 0 467.615 -0.220 20 0 JBADRP CCn1nnc2c1[C@H](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+])CNC2 ZINC001220505801 1069558787 /nfs/dbraw/zinc/55/87/87/1069558787.db2.gz HYWRLDKITDPUAM-LRTAFXBWSA-N 2 0 467.615 -0.220 20 0 JBADRP CCn1nnc2c1[C@H](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+])CNC2 ZINC001220505802 1069558736 /nfs/dbraw/zinc/55/87/36/1069558736.db2.gz HYWRLDKITDPUAM-MBXOPGAJSA-N 2 0 467.615 -0.220 20 0 JBADRP CCn1nnc2c1[C@H](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+])CNC2 ZINC001220505803 1069558606 /nfs/dbraw/zinc/55/86/06/1069558606.db2.gz HYWRLDKITDPUAM-WKYCKFSASA-N 2 0 467.615 -0.220 20 0 JBADRP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505930 1069558769 /nfs/dbraw/zinc/55/87/69/1069558769.db2.gz JNSNHYYZGDXLAJ-AOCJLEPCSA-N 2 0 476.640 -0.941 20 0 JBADRP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505933 1069558858 /nfs/dbraw/zinc/55/88/58/1069558858.db2.gz JNSNHYYZGDXLAJ-LIKKTTQLSA-N 2 0 476.640 -0.941 20 0 JBADRP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505934 1069558817 /nfs/dbraw/zinc/55/88/17/1069558817.db2.gz JNSNHYYZGDXLAJ-RKYZWWOHSA-N 2 0 476.640 -0.941 20 0 JBADRP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505936 1069558661 /nfs/dbraw/zinc/55/86/61/1069558661.db2.gz JNSNHYYZGDXLAJ-ZRLASGMHSA-N 2 0 476.640 -0.941 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506054 1069558833 /nfs/dbraw/zinc/55/88/33/1069558833.db2.gz KODOSWHHUOMSBN-DQIRPTDVSA-N 3 0 452.600 -0.062 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506062 1069558747 /nfs/dbraw/zinc/55/87/47/1069558747.db2.gz KODOSWHHUOMSBN-DSHGTTJVSA-N 3 0 452.600 -0.062 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]CC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220506064 1069558580 /nfs/dbraw/zinc/55/85/80/1069558580.db2.gz KODOSWHHUOMSBN-KEXXQYPJSA-N 3 0 452.600 -0.062 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]CC3)[C@H](O)OC(C)(C)C)C1 ZINC001220506067 1069558690 /nfs/dbraw/zinc/55/86/90/1069558690.db2.gz KODOSWHHUOMSBN-RMWAXNGCSA-N 3 0 452.600 -0.062 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506135 1069558634 /nfs/dbraw/zinc/55/86/34/1069558634.db2.gz KYYLJKUPKBOMBT-KZVLABISSA-N 3 0 459.632 -0.228 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506140 1069558806 /nfs/dbraw/zinc/55/88/06/1069558806.db2.gz KYYLJKUPKBOMBT-MXXNAXEESA-N 3 0 459.632 -0.228 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506141 1069558704 /nfs/dbraw/zinc/55/87/04/1069558704.db2.gz KYYLJKUPKBOMBT-NQDKFLQJSA-N 3 0 459.632 -0.228 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506142 1069558653 /nfs/dbraw/zinc/55/86/53/1069558653.db2.gz KYYLJKUPKBOMBT-OPLYSGQSSA-N 3 0 459.632 -0.228 20 0 JBADRP COC(=O)[C@@H]1C[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+])CCN1 ZINC001220506151 1069558549 /nfs/dbraw/zinc/55/85/49/1069558549.db2.gz LDIHOIBZYIDBTN-LCBCZDLHSA-N 2 0 458.600 -0.177 20 0 JBADRP COC(=O)[C@@H]1C[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+])CCN1 ZINC001220506152 1069558672 /nfs/dbraw/zinc/55/86/72/1069558672.db2.gz LDIHOIBZYIDBTN-MKGGJWCUSA-N 2 0 458.600 -0.177 20 0 JBADRP COC(=O)[C@@H]1C[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+])CCN1 ZINC001220506154 1069558841 /nfs/dbraw/zinc/55/88/41/1069558841.db2.gz LDIHOIBZYIDBTN-NLTWSFANSA-N 2 0 458.600 -0.177 20 0 JBADRP COC(=O)[C@@H]1C[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+])CCN1 ZINC001220506156 1069559448 /nfs/dbraw/zinc/55/94/48/1069559448.db2.gz LDIHOIBZYIDBTN-UBOIFNSRSA-N 2 0 458.600 -0.177 20 0 JBADRP CC(C)C[C@H](NC(=O)C[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+] ZINC001220506184 1069559408 /nfs/dbraw/zinc/55/94/08/1069559408.db2.gz LGYULTDODQMIOJ-GAKQYBQZSA-N 3 0 459.632 -0.228 20 0 JBADRP CC(C)C[C@H](NC(=O)C[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+] ZINC001220506185 1069559245 /nfs/dbraw/zinc/55/92/45/1069559245.db2.gz LGYULTDODQMIOJ-MNIZTNQSSA-N 3 0 459.632 -0.228 20 0 JBADRP CC(C)C[C@H](NC(=O)C[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+] ZINC001220506186 1069559324 /nfs/dbraw/zinc/55/93/24/1069559324.db2.gz LGYULTDODQMIOJ-ODGNUVPMSA-N 3 0 459.632 -0.228 20 0 JBADRP CC(C)C[C@H](NC(=O)C[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+] ZINC001220506187 1069559484 /nfs/dbraw/zinc/55/94/84/1069559484.db2.gz LGYULTDODQMIOJ-TWTKXFDXSA-N 3 0 459.632 -0.228 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220506849 1069559188 /nfs/dbraw/zinc/55/91/88/1069559188.db2.gz QAUQJCREWSKPPR-AJNMRTHUSA-N 4 0 485.670 -0.265 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506850 1069559264 /nfs/dbraw/zinc/55/92/64/1069559264.db2.gz QAUQJCREWSKPPR-LGJWIRAMSA-N 4 0 485.670 -0.265 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506851 1069559389 /nfs/dbraw/zinc/55/93/89/1069559389.db2.gz QAUQJCREWSKPPR-PJPUYHCJSA-N 4 0 485.670 -0.265 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220506852 1069559470 /nfs/dbraw/zinc/55/94/70/1069559470.db2.gz QAUQJCREWSKPPR-YKEHVAMYSA-N 4 0 485.670 -0.265 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506872 1069559306 /nfs/dbraw/zinc/55/93/06/1069559306.db2.gz QGXDFNWODDFFDP-GAKQYBQZSA-N 3 0 457.616 -0.378 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506873 1069559490 /nfs/dbraw/zinc/55/94/90/1069559490.db2.gz QGXDFNWODDFFDP-MNIZTNQSSA-N 3 0 457.616 -0.378 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506874 1069559437 /nfs/dbraw/zinc/55/94/37/1069559437.db2.gz QGXDFNWODDFFDP-ODGNUVPMSA-N 3 0 457.616 -0.378 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506875 1069559372 /nfs/dbraw/zinc/55/93/72/1069559372.db2.gz QGXDFNWODDFFDP-TWTKXFDXSA-N 3 0 457.616 -0.378 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506974 1069559481 /nfs/dbraw/zinc/55/94/81/1069559481.db2.gz QNSWMFSVMMCFMK-CABDMAJZSA-N 3 0 459.632 -0.228 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506975 1069559342 /nfs/dbraw/zinc/55/93/42/1069559342.db2.gz QNSWMFSVMMCFMK-LHIXILHXSA-N 3 0 459.632 -0.228 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506976 1069559229 /nfs/dbraw/zinc/55/92/29/1069559229.db2.gz QNSWMFSVMMCFMK-ZIKYFWMFSA-N 3 0 459.632 -0.228 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=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+] ZINC001220506977 1069559426 /nfs/dbraw/zinc/55/94/26/1069559426.db2.gz QNSWMFSVMMCFMK-ZTXGEWCLSA-N 3 0 459.632 -0.228 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507085 1069559292 /nfs/dbraw/zinc/55/92/92/1069559292.db2.gz RYTLUTOCLOOHGO-AQBXFBKCSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507086 1069559353 /nfs/dbraw/zinc/55/93/53/1069559353.db2.gz RYTLUTOCLOOHGO-IWFXODMXSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220507087 1069559463 /nfs/dbraw/zinc/55/94/63/1069559463.db2.gz RYTLUTOCLOOHGO-JJONQWDWSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220507088 1069560152 /nfs/dbraw/zinc/56/01/52/1069560152.db2.gz RYTLUTOCLOOHGO-WHIGNPOQSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220507089 1069559918 /nfs/dbraw/zinc/55/99/18/1069559918.db2.gz SCKIIQJQTJYIBX-HDYQLAKYSA-N 3 0 458.648 -0.968 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](N)CN2CCC([NH3+])CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220507090 1069560007 /nfs/dbraw/zinc/56/00/07/1069560007.db2.gz SCKIIQJQTJYIBX-OUCQQMGCSA-N 3 0 458.648 -0.968 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](N)CN2CCC([NH3+])CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507091 1069560135 /nfs/dbraw/zinc/56/01/35/1069560135.db2.gz SCKIIQJQTJYIBX-RRUHPTRMSA-N 3 0 458.648 -0.968 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507092 1069560068 /nfs/dbraw/zinc/56/00/68/1069560068.db2.gz SCKIIQJQTJYIBX-YWPUWRHISA-N 3 0 458.648 -0.968 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507154 1069560084 /nfs/dbraw/zinc/56/00/84/1069560084.db2.gz SZRNWLTUBUVTNY-AHHYDGQUSA-N 3 0 479.622 -0.049 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507155 1069560034 /nfs/dbraw/zinc/56/00/34/1069560034.db2.gz SZRNWLTUBUVTNY-ASBHLXATSA-N 3 0 479.622 -0.049 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507156 1069559887 /nfs/dbraw/zinc/55/98/87/1069559887.db2.gz SZRNWLTUBUVTNY-JNJLEGMLSA-N 3 0 479.622 -0.049 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507157 1069560045 /nfs/dbraw/zinc/56/00/45/1069560045.db2.gz SZRNWLTUBUVTNY-JUMAYRDLSA-N 3 0 479.622 -0.049 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](O)OC(C)(C)C)C1 ZINC001220507239 1069560106 /nfs/dbraw/zinc/56/01/06/1069560106.db2.gz UQJSQMAXPOGWBM-KZVLABISSA-N 3 0 489.658 -0.459 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H](O)OC(C)(C)C)C1 ZINC001220507240 1069560057 /nfs/dbraw/zinc/56/00/57/1069560057.db2.gz UQJSQMAXPOGWBM-MXXNAXEESA-N 3 0 489.658 -0.459 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H](O)OC(C)(C)C)C1 ZINC001220507241 1069559817 /nfs/dbraw/zinc/55/98/17/1069559817.db2.gz UQJSQMAXPOGWBM-NQDKFLQJSA-N 3 0 489.658 -0.459 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H](O)OC(C)(C)C)C1 ZINC001220507242 1069559980 /nfs/dbraw/zinc/55/99/80/1069559980.db2.gz UQJSQMAXPOGWBM-OPLYSGQSSA-N 3 0 489.658 -0.459 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[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+])COC1(C)C ZINC001220507243 1069560119 /nfs/dbraw/zinc/56/01/19/1069560119.db2.gz USCQMYJXDQUNAC-GCJXSMRTSA-N 3 0 487.642 -0.407 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[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+])COC1(C)C ZINC001220507244 1069560096 /nfs/dbraw/zinc/56/00/96/1069560096.db2.gz USCQMYJXDQUNAC-GRXZFICSSA-N 3 0 487.642 -0.407 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[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+])COC1(C)C ZINC001220507245 1069560025 /nfs/dbraw/zinc/56/00/25/1069560025.db2.gz USCQMYJXDQUNAC-TXRLXJQQSA-N 3 0 487.642 -0.407 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[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+])COC1(C)C ZINC001220507246 1069559871 /nfs/dbraw/zinc/55/98/71/1069559871.db2.gz USCQMYJXDQUNAC-VIZJMNRKSA-N 3 0 487.642 -0.407 20 0 JBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[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+] ZINC001220507331 1069559846 /nfs/dbraw/zinc/55/98/46/1069559846.db2.gz WCLLABYTOCBOGI-FNAHNWNWSA-N 2 0 458.600 -0.587 20 0 JBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[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+] ZINC001220507332 1069559956 /nfs/dbraw/zinc/55/99/56/1069559956.db2.gz WCLLABYTOCBOGI-GCJGGWGLSA-N 2 0 458.600 -0.587 20 0 JBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[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+] ZINC001220507333 1069560126 /nfs/dbraw/zinc/56/01/26/1069560126.db2.gz WCLLABYTOCBOGI-KDJJTKLASA-N 2 0 458.600 -0.587 20 0 JBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[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+] ZINC001220507334 1069560619 /nfs/dbraw/zinc/56/06/19/1069560619.db2.gz WCLLABYTOCBOGI-MTTNLPIESA-N 2 0 458.600 -0.587 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507500 1069560631 /nfs/dbraw/zinc/56/06/31/1069560631.db2.gz ZBJKBJOIKOOXMQ-GJRSHGQJSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507501 1069560764 /nfs/dbraw/zinc/56/07/64/1069560764.db2.gz ZBJKBJOIKOOXMQ-IGJOJHROSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507502 1069560689 /nfs/dbraw/zinc/56/06/89/1069560689.db2.gz ZBJKBJOIKOOXMQ-KHTMQFLISA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507503 1069560526 /nfs/dbraw/zinc/56/05/26/1069560526.db2.gz ZBJKBJOIKOOXMQ-KNNWPQOTSA-N 3 0 493.649 -0.032 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507505 1069560680 /nfs/dbraw/zinc/56/06/80/1069560680.db2.gz ZGDPNPRDLXMYRV-HTZHMHBNSA-N 3 0 479.626 -0.205 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507506 1069560706 /nfs/dbraw/zinc/56/07/06/1069560706.db2.gz ZGDPNPRDLXMYRV-JCUDMVTESA-N 3 0 479.626 -0.205 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220507507 1069560657 /nfs/dbraw/zinc/56/06/57/1069560657.db2.gz ZGDPNPRDLXMYRV-KSLTUTBPSA-N 3 0 479.626 -0.205 20 0 JBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220507508 1069560696 /nfs/dbraw/zinc/56/06/96/1069560696.db2.gz ZGDPNPRDLXMYRV-ZGQDXXQFSA-N 3 0 479.626 -0.205 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507532 1069560604 /nfs/dbraw/zinc/56/06/04/1069560604.db2.gz ZMVHOSSQKAYZRV-FMDRQKPPSA-N 3 0 452.600 -0.102 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+]Cc3ccnn3C2)[C@H](O)OC(C)(C)C)C1 ZINC001220507533 1069560752 /nfs/dbraw/zinc/56/07/52/1069560752.db2.gz ZMVHOSSQKAYZRV-LEPRSZISSA-N 3 0 452.600 -0.102 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507534 1069560714 /nfs/dbraw/zinc/56/07/14/1069560714.db2.gz ZMVHOSSQKAYZRV-QSKLSLQMSA-N 3 0 452.600 -0.102 20 0 JBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)[C@H](O)OC(C)(C)C)C1 ZINC001220507535 1069560675 /nfs/dbraw/zinc/56/06/75/1069560675.db2.gz ZMVHOSSQKAYZRV-UMHMBGBOSA-N 3 0 452.600 -0.102 20 0 JBADRP CC(=O)N[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+] ZINC001220507567 1069560556 /nfs/dbraw/zinc/56/05/56/1069560556.db2.gz ZVYQPCHUASGLMH-PUFBLQPOSA-N 3 0 459.632 -0.084 20 0 JBADRP CC(=O)N[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+] ZINC001220507568 1069560721 /nfs/dbraw/zinc/56/07/21/1069560721.db2.gz ZVYQPCHUASGLMH-UMOCMGHHSA-N 3 0 459.632 -0.084 20 0 JBADRP CC(=O)N[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+] ZINC001220507569 1069560644 /nfs/dbraw/zinc/56/06/44/1069560644.db2.gz ZVYQPCHUASGLMH-VSOYCCJCSA-N 3 0 459.632 -0.084 20 0 JBADRP CC(=O)N[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+] ZINC001220507570 1069560667 /nfs/dbraw/zinc/56/06/67/1069560667.db2.gz ZVYQPCHUASGLMH-WVBSATCKSA-N 3 0 459.632 -0.084 20 0 JBADRP CCOC(=O)C1=C(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC001220523135 1069561738 /nfs/dbraw/zinc/56/17/38/1069561738.db2.gz JOUDQKNLSMZNQC-FPOVZHCZSA-N 2 0 473.574 -0.260 20 0 JBADRP CCOC(=O)C1=C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC[NH2+]C1 ZINC001220523141 1069561751 /nfs/dbraw/zinc/56/17/51/1069561751.db2.gz JTPCGNMYXKEWEZ-WBAXXEDZSA-N 2 0 451.568 -0.218 20 0 JBADRP CC(C)([NH3+])CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC001220536020 1069561801 /nfs/dbraw/zinc/56/18/01/1069561801.db2.gz SBBLQUMXBHCKJK-OALUTQOASA-N 2 0 478.571 -0.306 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220536075 1069561846 /nfs/dbraw/zinc/56/18/46/1069561846.db2.gz ULVUDDWXOXAKGO-WMQCIHAUSA-N 2 0 455.559 -0.127 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220536076 1069562335 /nfs/dbraw/zinc/56/23/35/1069562335.db2.gz ULVUDDWXOXAKGO-YYWHXJBOSA-N 2 0 455.559 -0.127 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001220536142 1069562435 /nfs/dbraw/zinc/56/24/35/1069562435.db2.gz WPGIVCFYZHNVOV-HOCLYGCPSA-N 2 0 453.565 -0.604 20 0 JBADRP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)CNC(=O)C[NH3+])nc2C(N)=O)nc1C ZINC001220565688 1069564536 /nfs/dbraw/zinc/56/45/36/1069564536.db2.gz PEYCSOSEKBHLNP-LSDHHAIUSA-N 2 0 469.550 -0.377 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622609 1069566086 /nfs/dbraw/zinc/56/60/86/1069566086.db2.gz QTRZCWWEXYDQIC-ROUUACIJSA-N 2 0 466.608 -0.202 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccccc1N1CC[NH2+]CC1)C(=O)CF ZINC001220651847 1069565916 /nfs/dbraw/zinc/56/59/16/1069565916.db2.gz QHIKQTHRDDTGRX-ZJBJCVSYSA-N 2 0 492.596 -0.386 20 0 JBADRP Cn1nc(Cl)c(I)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1=O ZINC001220729392 1069566700 /nfs/dbraw/zinc/56/67/00/1069566700.db2.gz AVNOYRQSUOVTIS-MRVPVSSYSA-N 2 0 454.700 -0.273 20 0 JBADRP Cn1nc(Cl)c(I)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1=O ZINC001220729395 1069566612 /nfs/dbraw/zinc/56/66/12/1069566612.db2.gz AVNOYRQSUOVTIS-QMMMGPOBSA-N 2 0 454.700 -0.273 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)c2nonc21 ZINC001220745895 1069566424 /nfs/dbraw/zinc/56/64/24/1069566424.db2.gz FWVAFPAEZLYDFZ-AWEZNQCLSA-N 2 0 488.574 -0.088 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)c2nonc21 ZINC001220745896 1069566528 /nfs/dbraw/zinc/56/65/28/1069566528.db2.gz FWVAFPAEZLYDFZ-CQSZACIVSA-N 2 0 488.574 -0.088 20 0 JBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)COC1(C)C ZINC001220747859 1069566950 /nfs/dbraw/zinc/56/69/50/1069566950.db2.gz AEEPEZPMDPTNGJ-AAEUAGOBSA-N 2 0 483.551 -0.925 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@]23c2ccccc2NC3=O)c2nonc21 ZINC001220747904 1069567076 /nfs/dbraw/zinc/56/70/76/1069567076.db2.gz BUCFRUFKCKAFQV-FPTDNZKUSA-N 2 0 499.553 -0.126 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@@]23c2ccccc2NC3=O)c2nonc21 ZINC001220747905 1069566983 /nfs/dbraw/zinc/56/69/83/1069566983.db2.gz BUCFRUFKCKAFQV-JLCFBVMHSA-N 2 0 499.553 -0.126 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@]23c2ccccc2NC3=O)c2nonc21 ZINC001220747906 1069567049 /nfs/dbraw/zinc/56/70/49/1069567049.db2.gz BUCFRUFKCKAFQV-PEBXRYMYSA-N 2 0 499.553 -0.126 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]C[C@@]23c2ccccc2NC3=O)c2nonc21 ZINC001220747907 1069567112 /nfs/dbraw/zinc/56/71/12/1069567112.db2.gz BUCFRUFKCKAFQV-RCDICMHDSA-N 2 0 499.553 -0.126 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c2nonc21 ZINC001220747914 1069567136 /nfs/dbraw/zinc/56/71/36/1069567136.db2.gz BXJZJZIAMZOUNM-CYBMUJFWSA-N 3 0 451.553 -0.361 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c2nonc21 ZINC001220747915 1069567021 /nfs/dbraw/zinc/56/70/21/1069567021.db2.gz BXJZJZIAMZOUNM-ZDUSSCGKSA-N 3 0 451.553 -0.361 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)c2nonc21 ZINC001220747919 1069567172 /nfs/dbraw/zinc/56/71/72/1069567172.db2.gz CAFFRYYRAGPJTN-BFUOFWGJSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)c2nonc21 ZINC001220747920 1069567009 /nfs/dbraw/zinc/56/70/09/1069567009.db2.gz CAFFRYYRAGPJTN-DJJJIMSYSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)c2nonc21 ZINC001220747921 1069567162 /nfs/dbraw/zinc/56/71/62/1069567162.db2.gz CAFFRYYRAGPJTN-ORAYPTAESA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)c2nonc21 ZINC001220747922 1069567097 /nfs/dbraw/zinc/56/70/97/1069567097.db2.gz CAFFRYYRAGPJTN-YJYMSZOUSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)c2nonc21 ZINC001220747925 1069567090 /nfs/dbraw/zinc/56/70/90/1069567090.db2.gz CDUQZKDFAGSOFC-CVEARBPZSA-N 2 0 499.553 -0.123 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)c2nonc21 ZINC001220747926 1069567155 /nfs/dbraw/zinc/56/71/55/1069567155.db2.gz CDUQZKDFAGSOFC-HOTGVXAUSA-N 2 0 499.553 -0.123 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)c2nonc21 ZINC001220747927 1069567041 /nfs/dbraw/zinc/56/70/41/1069567041.db2.gz CDUQZKDFAGSOFC-HZPDHXFCSA-N 2 0 499.553 -0.123 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)c2nonc21 ZINC001220747928 1069567105 /nfs/dbraw/zinc/56/71/05/1069567105.db2.gz CDUQZKDFAGSOFC-JKSUJKDBSA-N 2 0 499.553 -0.123 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CC3(CO2)CC[NH2+]CC3)c2nonc21 ZINC001220747944 1069566996 /nfs/dbraw/zinc/56/69/96/1069566996.db2.gz COGYENMTUHAGEI-AWEZNQCLSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CC3(CO2)CC[NH2+]CC3)c2nonc21 ZINC001220747945 1069567181 /nfs/dbraw/zinc/56/71/81/1069567181.db2.gz COGYENMTUHAGEI-CQSZACIVSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)c2nonc21 ZINC001220747948 1069567127 /nfs/dbraw/zinc/56/71/27/1069567127.db2.gz CROFGBJKENLXQL-CABCVRRESA-N 2 0 465.580 -0.161 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)c2nonc21 ZINC001220747949 1069567061 /nfs/dbraw/zinc/56/70/61/1069567061.db2.gz CROFGBJKENLXQL-GJZGRUSLSA-N 2 0 465.580 -0.161 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)c2nonc21 ZINC001220747950 1069567626 /nfs/dbraw/zinc/56/76/26/1069567626.db2.gz CROFGBJKENLXQL-HUUCEWRRSA-N 2 0 465.580 -0.161 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)c2nonc21 ZINC001220747951 1069567446 /nfs/dbraw/zinc/56/74/46/1069567446.db2.gz CROFGBJKENLXQL-LSDHHAIUSA-N 2 0 465.580 -0.161 20 0 JBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748073 1069567559 /nfs/dbraw/zinc/56/75/59/1069567559.db2.gz DGOZOVNPVQTBAT-AAEUAGOBSA-N 2 0 453.525 -0.897 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748139 1069567499 /nfs/dbraw/zinc/56/74/99/1069567499.db2.gz GEKZUXCJNKLIBH-STQMWFEESA-N 2 0 469.568 -0.357 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])c2nonc21 ZINC001220748293 1069567641 /nfs/dbraw/zinc/56/76/41/1069567641.db2.gz HSCNOWVKSJUOJC-HNNXBMFYSA-N 2 0 489.558 -0.549 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)c2nonc21 ZINC001220748428 1069567461 /nfs/dbraw/zinc/56/74/61/1069567461.db2.gz JJNZGZZWFAWHQY-LBPRGKRZSA-N 2 0 485.567 -0.977 20 0 JBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748561 1069567713 /nfs/dbraw/zinc/56/77/13/1069567713.db2.gz KCOPZASGMWBQKL-LBPRGKRZSA-N 2 0 455.541 -0.746 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2csc(N3CC[NH2+]CC3)n2)c2nonc21 ZINC001220748610 1069567407 /nfs/dbraw/zinc/56/74/07/1069567407.db2.gz KLHXEYKZINAPMP-UHFFFAOYSA-N 2 0 480.576 -0.055 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cccnc2N2CC[NH2+]CC2)c2nonc21 ZINC001220748679 1069567390 /nfs/dbraw/zinc/56/73/90/1069567390.db2.gz LNUQVDVTAAWXJF-UHFFFAOYSA-N 2 0 474.547 -0.117 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@@H+](C(C)(C)C)CCN2)c2nonc21 ZINC001220748778 1069567529 /nfs/dbraw/zinc/56/75/29/1069567529.db2.gz MMFHTBJLIWCELH-CYBMUJFWSA-N 2 0 453.569 -0.163 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@@H+](C(C)(C)C)CCN2)c2nonc21 ZINC001220748781 1069567730 /nfs/dbraw/zinc/56/77/30/1069567730.db2.gz MMFHTBJLIWCELH-ZDUSSCGKSA-N 2 0 453.569 -0.163 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)c2nonc21 ZINC001220748795 1069567670 /nfs/dbraw/zinc/56/76/70/1069567670.db2.gz MVHRQKQRDAALJF-AWEZNQCLSA-N 2 0 475.531 -0.566 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CCCC[C@H]([NH3+])C2=O)c2nonc21 ZINC001220748850 1069568162 /nfs/dbraw/zinc/56/81/62/1069568162.db2.gz OBWDBRALNRPUMU-LBPRGKRZSA-N 2 0 453.525 -0.895 20 0 JBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749060 1069568270 /nfs/dbraw/zinc/56/82/70/1069568270.db2.gz OFWIWGYQYHYICW-LBPRGKRZSA-N 2 0 455.541 -0.746 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2([NH3+])CCC3(CC2)OCCO3)c2nonc21 ZINC001220749068 1069568052 /nfs/dbraw/zinc/56/80/52/1069568052.db2.gz OPCYUAKKMNMLET-UHFFFAOYSA-N 2 0 468.536 -0.221 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)c2nonc21 ZINC001220749076 1069568124 /nfs/dbraw/zinc/56/81/24/1069568124.db2.gz PCFWWJYMEZQRBD-DNVCBOLYSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]CC23CCOCC3)c2nonc21 ZINC001220749084 1069568264 /nfs/dbraw/zinc/56/82/64/1069568264.db2.gz PNSFEHJYYZXNTA-CYBMUJFWSA-N 2 0 452.537 -0.219 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[NH2+]CC23CCOCC3)c2nonc21 ZINC001220749085 1069568148 /nfs/dbraw/zinc/56/81/48/1069568148.db2.gz PNSFEHJYYZXNTA-ZDUSSCGKSA-N 2 0 452.537 -0.219 20 0 JBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749086 1069568028 /nfs/dbraw/zinc/56/80/28/1069568028.db2.gz PREMBVLVSPIBLO-ZDUSSCGKSA-N 2 0 455.541 -0.602 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)c2nonc21 ZINC001220749095 1069568014 /nfs/dbraw/zinc/56/80/14/1069568014.db2.gz QAIJGPMCGMCOAY-GDBMZVCRSA-N 2 0 465.580 -0.019 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)c2nonc21 ZINC001220749096 1069568133 /nfs/dbraw/zinc/56/81/33/1069568133.db2.gz QAIJGPMCGMCOAY-GOEBONIOSA-N 2 0 465.580 -0.019 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)c2nonc21 ZINC001220749097 1069568291 /nfs/dbraw/zinc/56/82/91/1069568291.db2.gz QAIJGPMCGMCOAY-HOCLYGCPSA-N 2 0 465.580 -0.019 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)c2nonc21 ZINC001220749098 1069568103 /nfs/dbraw/zinc/56/81/03/1069568103.db2.gz QAIJGPMCGMCOAY-ZBFHGGJFSA-N 2 0 465.580 -0.019 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749124 1069568202 /nfs/dbraw/zinc/56/82/02/1069568202.db2.gz QYOQEKSEDASBNN-ZDUSSCGKSA-N 2 0 455.541 -0.602 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c2nonc21 ZINC001220749355 1069568208 /nfs/dbraw/zinc/56/82/08/1069568208.db2.gz RYCFUGTZQGMNHH-HNNXBMFYSA-N 3 0 481.579 -0.782 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c2nonc21 ZINC001220749356 1069568241 /nfs/dbraw/zinc/56/82/41/1069568241.db2.gz RYCFUGTZQGMNHH-OAHLLOKOSA-N 3 0 481.579 -0.782 20 0 JBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749410 1069568078 /nfs/dbraw/zinc/56/80/78/1069568078.db2.gz UYWDAXXNKINBBM-NHYWBVRUSA-N 2 0 455.541 -0.746 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2COC3(C2)CC[NH2+]CC3)c2nonc21 ZINC001220749421 1069568189 /nfs/dbraw/zinc/56/81/89/1069568189.db2.gz VJKQCLLUVSCYNB-CYBMUJFWSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COC3(C2)CC[NH2+]CC3)c2nonc21 ZINC001220749422 1069568061 /nfs/dbraw/zinc/56/80/61/1069568061.db2.gz VJKQCLLUVSCYNB-ZDUSSCGKSA-N 2 0 452.537 -0.077 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c2nonc21 ZINC001220749653 1069568557 /nfs/dbraw/zinc/56/85/57/1069568557.db2.gz XFYISBYAMOMGBB-ZFWWWQNUSA-N 2 0 479.563 -0.492 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c2nonc21 ZINC001220749655 1069568674 /nfs/dbraw/zinc/56/86/74/1069568674.db2.gz XGSAPBNIKYECEV-HNNXBMFYSA-N 2 0 489.558 -0.549 20 0 JBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749796 1069568585 /nfs/dbraw/zinc/56/85/85/1069568585.db2.gz ZTKVFOMLDHEIQJ-VXGBXAGGSA-N 2 0 454.509 -0.837 20 0 JBADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001220765998 1069569760 /nfs/dbraw/zinc/56/97/60/1069569760.db2.gz JMLJFJPSUYEOFD-PJDYVGSDSA-N 2 0 489.529 -0.686 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C(=O)CF ZINC001220790854 1069571763 /nfs/dbraw/zinc/57/17/63/1069571763.db2.gz VHAJABQMHWYRPD-CCTJXGJQSA-N 2 0 478.569 -0.250 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C(=O)CF ZINC001220790856 1069571647 /nfs/dbraw/zinc/57/16/47/1069571647.db2.gz VHAJABQMHWYRPD-OZBUEDOWSA-N 2 0 478.569 -0.250 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C(=O)CF ZINC001220790858 1069571576 /nfs/dbraw/zinc/57/15/76/1069571576.db2.gz VHAJABQMHWYRPD-QFTGIQBFSA-N 2 0 478.569 -0.250 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C(=O)CF ZINC001220790859 1069571676 /nfs/dbraw/zinc/57/16/76/1069571676.db2.gz VHAJABQMHWYRPD-SIPRGPJJSA-N 2 0 478.569 -0.250 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)C(=O)CF ZINC001220805648 1069572290 /nfs/dbraw/zinc/57/22/90/1069572290.db2.gz UMODRYFOLDBJQB-AWYNBESOSA-N 2 0 469.480 -0.456 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C(=O)CF ZINC001220805649 1069572446 /nfs/dbraw/zinc/57/24/46/1069572446.db2.gz UMODRYFOLDBJQB-DJUFWWRVSA-N 2 0 469.480 -0.456 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C(=O)CF ZINC001220805651 1069572252 /nfs/dbraw/zinc/57/22/52/1069572252.db2.gz UMODRYFOLDBJQB-YTORKDELSA-N 2 0 469.480 -0.456 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)C(=O)CF ZINC001220805653 1069572380 /nfs/dbraw/zinc/57/23/80/1069572380.db2.gz UMODRYFOLDBJQB-ZWEPEPIOSA-N 2 0 469.480 -0.456 20 0 JBADRP CCOC(=O)C1=C(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C[NH2+]C1 ZINC001220829980 1069572394 /nfs/dbraw/zinc/57/23/94/1069572394.db2.gz IKUDGMVYAMNDMJ-PXNSSMCTSA-N 2 0 459.547 -0.650 20 0 JBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220870748 1069573079 /nfs/dbraw/zinc/57/30/79/1069573079.db2.gz OZJRSBBXBHSUAP-HOTGVXAUSA-N 2 0 466.336 -0.497 20 0 JBADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900251 1069574155 /nfs/dbraw/zinc/57/41/55/1069574155.db2.gz FMNFMCAHVPIQAQ-SFTDATJTSA-N 2 0 475.590 -0.668 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900586 1069574139 /nfs/dbraw/zinc/57/41/39/1069574139.db2.gz NIMFXXJBQFQIBH-WMZOPIPTSA-N 2 0 450.584 -0.966 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901196 1069574434 /nfs/dbraw/zinc/57/44/34/1069574434.db2.gz SXNSEUPDGDSHGS-SFTDATJTSA-N 2 0 492.665 -0.021 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1)C(=O)CF ZINC001220931183 1069574269 /nfs/dbraw/zinc/57/42/69/1069574269.db2.gz YEECOVBAWXRGJS-BHZNCXQASA-N 2 0 471.574 -0.615 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1)C(=O)CF ZINC001220941370 1069575162 /nfs/dbraw/zinc/57/51/62/1069575162.db2.gz PDMHYCLHSHWAAR-QHXHSKPESA-N 2 0 493.584 -0.019 20 0 JBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220968986 1069576338 /nfs/dbraw/zinc/57/63/38/1069576338.db2.gz JXCBPBZGZJCPOY-SFHVURJKSA-N 2 0 453.547 -0.050 20 0 JBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971089 1069576367 /nfs/dbraw/zinc/57/63/67/1069576367.db2.gz SQDXRRMPNUNSOD-WMZOPIPTSA-N 2 0 458.563 -0.923 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006246 1069576470 /nfs/dbraw/zinc/57/64/70/1069576470.db2.gz CUCVDUDTSQSLDM-VJANTYMQSA-N 2 0 466.627 -0.509 20 0 JBADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006258 1069576405 /nfs/dbraw/zinc/57/64/05/1069576405.db2.gz DDJHGJMVPAMKEQ-HVTWWXFQSA-N 2 0 480.654 -0.039 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067658 1069577238 /nfs/dbraw/zinc/57/72/38/1069577238.db2.gz DZFOQDREIAXXEH-DWMDIXPDSA-N 2 0 463.583 -0.658 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067659 1069576951 /nfs/dbraw/zinc/57/69/51/1069576951.db2.gz DZFOQDREIAXXEH-IWGURSETSA-N 2 0 463.583 -0.658 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067812 1069577136 /nfs/dbraw/zinc/57/71/36/1069577136.db2.gz LWDVYAYUAGHEMG-DOQFWFFUSA-N 2 0 462.595 -0.053 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067813 1069577939 /nfs/dbraw/zinc/57/79/39/1069577939.db2.gz LWDVYAYUAGHEMG-GRUVHVDGSA-N 2 0 462.595 -0.053 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068438 1069577958 /nfs/dbraw/zinc/57/79/58/1069577958.db2.gz YLFXVFDEESQUJY-MYOQPVCSSA-N 2 0 478.594 -0.268 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070098 1069577619 /nfs/dbraw/zinc/57/76/19/1069577619.db2.gz FWCLLQTVWQNKAC-DOQFWFFUSA-N 2 0 473.636 -0.181 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070099 1069577891 /nfs/dbraw/zinc/57/78/91/1069577891.db2.gz FWCLLQTVWQNKAC-GRUVHVDGSA-N 2 0 473.636 -0.181 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070116 1069577715 /nfs/dbraw/zinc/57/77/15/1069577715.db2.gz GFRRKUMXNGAFTG-RFVXBFLTSA-N 3 0 454.612 -0.143 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070117 1069577970 /nfs/dbraw/zinc/57/79/70/1069577970.db2.gz GFRRKUMXNGAFTG-XYWBXWKWSA-N 3 0 454.612 -0.143 20 0 JBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072864 1069577947 /nfs/dbraw/zinc/57/79/47/1069577947.db2.gz WAJVOWFZFCNLCW-YSOLWZKISA-N 3 0 483.654 -0.148 20 0 JBADRP CCC(CC)[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072872 1069577672 /nfs/dbraw/zinc/57/76/72/1069577672.db2.gz WJRPNZACGITHEG-KKVDJJNBSA-N 2 0 458.600 -0.337 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)/C=C/C(=O)NCC[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC001221086670 1069577580 /nfs/dbraw/zinc/57/75/80/1069577580.db2.gz CCGCKAOZMUTZPO-DVQDXYAYSA-N 2 0 454.549 -0.186 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086674 1069577833 /nfs/dbraw/zinc/57/78/33/1069577833.db2.gz CKAGLGPZYMSPLU-MSOLQXFVSA-N 2 0 468.576 -0.487 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086675 1069577917 /nfs/dbraw/zinc/57/79/17/1069577917.db2.gz CKAGLGPZYMSPLU-ROUUACIJSA-N 2 0 468.576 -0.487 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086897 1069577905 /nfs/dbraw/zinc/57/79/05/1069577905.db2.gz LHKGBYQOTCMYIV-PMACEKPBSA-N 2 0 483.635 -0.067 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H](N)CN1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086898 1069577785 /nfs/dbraw/zinc/57/77/85/1069577785.db2.gz LHKGBYQOTCMYIV-UXHICEINSA-N 2 0 483.635 -0.067 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)S(=O)(=O)c1ccc(C)cc1 ZINC001221087096 1069577803 /nfs/dbraw/zinc/57/78/03/1069577803.db2.gz RQJFKXCCGZUHAW-XIRDDKMYSA-N 2 0 472.564 -0.993 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)S(=O)(=O)c1ccc(C)cc1 ZINC001221087107 1069578343 /nfs/dbraw/zinc/57/83/43/1069578343.db2.gz SAXVOFLUMXLPDE-FUHWJXTLSA-N 2 0 466.560 -0.339 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)S(=O)(=O)c1ccc(C)cc1 ZINC001221087108 1069578473 /nfs/dbraw/zinc/57/84/73/1069578473.db2.gz SAXVOFLUMXLPDE-WMZOPIPTSA-N 2 0 466.560 -0.339 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)S(=O)(=O)c1ccc(C)cc1 ZINC001221087201 1069578442 /nfs/dbraw/zinc/57/84/42/1069578442.db2.gz WKTUHSZUPIXPLA-MSOLQXFVSA-N 3 0 452.577 -0.008 20 0 JBADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)S(=O)(=O)c1ccc(C)cc1 ZINC001221087202 1069578543 /nfs/dbraw/zinc/57/85/43/1069578543.db2.gz WKTUHSZUPIXPLA-ROUUACIJSA-N 3 0 452.577 -0.008 20 0 JBADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001221112176 1069578523 /nfs/dbraw/zinc/57/85/23/1069578523.db2.gz KJHGTIJEEBWBCI-UHFFFAOYSA-N 2 0 486.495 -0.907 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1)C(=O)CF ZINC001221114027 1069578422 /nfs/dbraw/zinc/57/84/22/1069578422.db2.gz KDWOOZKSUUOLJI-FIKGOQFSSA-N 2 0 492.596 -0.280 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(c2cccnc2)CC[NH2+]CC1)C(=O)CF ZINC001221123934 1069578310 /nfs/dbraw/zinc/57/83/10/1069578310.db2.gz PGHLEGXWGBHLGT-KNBMTAEXSA-N 2 0 478.569 -0.322 20 0 JBADRP COCCC1([NH3+])CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001221134214 1069578510 /nfs/dbraw/zinc/57/85/10/1069578510.db2.gz PZRHMCVEBCIKLF-MPGHIAIKSA-N 2 0 459.563 -0.756 20 0 JBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148427 1069578369 /nfs/dbraw/zinc/57/83/69/1069578369.db2.gz AUBRLKBSZVXVHA-KRWDZBQOSA-N 2 0 461.548 -0.740 20 0 JBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001221148500 1069579077 /nfs/dbraw/zinc/57/90/77/1069579077.db2.gz DEYRXRWXXVYCEP-IBGZPJMESA-N 2 0 471.543 -0.050 20 0 JBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001221148501 1069578974 /nfs/dbraw/zinc/57/89/74/1069578974.db2.gz DEYRXRWXXVYCEP-LJQANCHMSA-N 2 0 471.543 -0.050 20 0 JBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221148549 1069578827 /nfs/dbraw/zinc/57/88/27/1069578827.db2.gz FYMOLVNRHCGKOT-KRWDZBQOSA-N 2 0 456.590 -0.653 20 0 JBADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221148550 1069578859 /nfs/dbraw/zinc/57/88/59/1069578859.db2.gz FYMOLVNRHCGKOT-QGZVFWFLSA-N 2 0 456.590 -0.653 20 0 JBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148623 1069578938 /nfs/dbraw/zinc/57/89/38/1069578938.db2.gz IRYDHADTVBRWLZ-OALUTQOASA-N 3 0 466.608 -0.620 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221239936 1069584584 /nfs/dbraw/zinc/58/45/84/1069584584.db2.gz XHEABFNPGBWESS-MRFFXTKBSA-N 2 0 467.526 -0.507 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221239937 1069584285 /nfs/dbraw/zinc/58/42/85/1069584285.db2.gz XHEABFNPGBWESS-QTJFZDIUSA-N 2 0 467.526 -0.507 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC001221239940 1069584317 /nfs/dbraw/zinc/58/43/17/1069584317.db2.gz XHYWNTUIKITFTB-DLPLYFIVSA-N 2 0 481.553 -0.117 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC001221239941 1069584548 /nfs/dbraw/zinc/58/45/48/1069584548.db2.gz XHYWNTUIKITFTB-LVXYXVKQSA-N 2 0 481.553 -0.117 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C(=O)CF ZINC001221248287 1069584423 /nfs/dbraw/zinc/58/44/23/1069584423.db2.gz PRAGWJWZASVOJW-WAXYGOQGSA-N 2 0 455.575 -0.074 20 0 JBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262926 1069585149 /nfs/dbraw/zinc/58/51/49/1069585149.db2.gz UYVNIYYYMODZLE-ZETOZRRWSA-N 2 0 475.518 -0.269 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N([C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC001221273487 1069585299 /nfs/dbraw/zinc/58/52/99/1069585299.db2.gz ALMWGNJIKVVZPV-GIPAHHNCSA-N 2 0 475.571 -0.077 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+])C(=O)CF ZINC001221332180 1069586216 /nfs/dbraw/zinc/58/62/16/1069586216.db2.gz IBCSKUXRNCECFO-YRFFXBIPSA-N 2 0 463.554 -0.200 20 0 JBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221340074 1069586057 /nfs/dbraw/zinc/58/60/57/1069586057.db2.gz CMQJNLUKGWMKSH-HNNXBMFYSA-N 3 0 458.610 -0.504 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCC[C@H]1C)C(N)=O ZINC001221350919 1069588981 /nfs/dbraw/zinc/58/89/81/1069588981.db2.gz AXGMTEXMCWSOEJ-BCYZHJNNSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CC[C@H]1C[NH2+]C2)C(N)=O ZINC001221350949 1069588811 /nfs/dbraw/zinc/58/88/11/1069588811.db2.gz BHNMFKQZRKTZGT-AQBJMCTPSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12CC[C@H]1C[NH2+]C2)C(N)=O ZINC001221350952 1069589032 /nfs/dbraw/zinc/58/90/32/1069589032.db2.gz BHNMFKQZRKTZGT-IUUWJXCHSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CC[C@@H]1C[NH2+]C2)C(N)=O ZINC001221350953 1069588873 /nfs/dbraw/zinc/58/88/73/1069588873.db2.gz BHNMFKQZRKTZGT-RBIWONGKSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12CC[C@@H]1C[NH2+]C2)C(N)=O ZINC001221350955 1069589044 /nfs/dbraw/zinc/58/90/44/1069589044.db2.gz BHNMFKQZRKTZGT-WVTLLZAPSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1C[NH2+]CC1(F)F)C(N)=O ZINC001221350976 1069588669 /nfs/dbraw/zinc/58/86/69/1069588669.db2.gz BUJPBUKLGNTQFY-CVYDXHPNSA-N 2 0 488.580 -0.538 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[NH2+]CC1(F)F)C(N)=O ZINC001221350978 1069588887 /nfs/dbraw/zinc/58/88/87/1069588887.db2.gz BUJPBUKLGNTQFY-OVWQWFNUSA-N 2 0 488.580 -0.538 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H](C[NH3+])C1(C)C)C(N)=O ZINC001221350980 1069588974 /nfs/dbraw/zinc/58/89/74/1069588974.db2.gz BXTMQMSSSUCGSE-PJVZLEMVSA-N 2 0 480.654 -0.162 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1)C(N)=O ZINC001221351002 1069589480 /nfs/dbraw/zinc/58/94/80/1069589480.db2.gz CHORYBOLSWIHRL-DFEOGRTESA-N 2 0 452.600 -0.655 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1)C(N)=O ZINC001221351008 1069589493 /nfs/dbraw/zinc/58/94/93/1069589493.db2.gz CHORYBOLSWIHRL-DWRORGKVSA-N 2 0 452.600 -0.655 20 0 JBADRP C[NH2+]C1CCC(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001221351018 1069589699 /nfs/dbraw/zinc/58/96/99/1069589699.db2.gz CLXNZLFIUPJMDW-PWKSQPCKSA-N 2 0 480.654 -0.005 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1CC(C[NH3+])C1)C(N)=O ZINC001221351030 1069589560 /nfs/dbraw/zinc/58/95/60/1069589560.db2.gz COZBSPDYCWTJRY-CNFALQKSSA-N 2 0 452.600 -0.798 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH3+])C(N)=O ZINC001221351055 1069589720 /nfs/dbraw/zinc/58/97/20/1069589720.db2.gz CUEDESCRRXYCEW-BVMLLJBZSA-N 2 0 478.638 -0.409 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H](F)C1)C(N)=O ZINC001221351060 1069589761 /nfs/dbraw/zinc/58/97/61/1069589761.db2.gz CUQYYOOPSWFTJK-ADHGMGHFSA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H](F)C1)C(N)=O ZINC001221351064 1069589789 /nfs/dbraw/zinc/58/97/89/1069589789.db2.gz CUQYYOOPSWFTJK-ATIWLJMLSA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H](F)C1)C(N)=O ZINC001221351066 1069589576 /nfs/dbraw/zinc/58/95/76/1069589576.db2.gz CUQYYOOPSWFTJK-FPSMNIFISA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@H](F)C1)C(N)=O ZINC001221351068 1069589624 /nfs/dbraw/zinc/58/96/24/1069589624.db2.gz CUQYYOOPSWFTJK-ZBRFXRBCSA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1CC2(CC([NH3+])C2)C1)C(N)=O ZINC001221351086 1069589608 /nfs/dbraw/zinc/58/96/08/1069589608.db2.gz DFDZOKNPPVRSCP-JHXIYKTQSA-N 2 0 478.638 -0.265 20 0 JBADRP CCCC[C@H]([NH2+]C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351109 1069589738 /nfs/dbraw/zinc/58/97/38/1069589738.db2.gz DLBFSXFRKMNASO-VJANTYMQSA-N 2 0 468.643 -0.005 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCCC[NH2+]1)C(N)=O ZINC001221351273 1069589825 /nfs/dbraw/zinc/58/98/25/1069589825.db2.gz FIVIXUKZJKVVOX-LXZJYRNTSA-N 2 0 466.627 -0.251 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1CCC(C[NH3+])CC1)C(N)=O ZINC001221351353 1069589588 /nfs/dbraw/zinc/58/95/88/1069589588.db2.gz FWOHEOVRINNMPJ-PWKSQPCKSA-N 2 0 480.654 -0.018 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC2(CC2)C[NH2+]1)C(N)=O ZINC001221351366 1069589677 /nfs/dbraw/zinc/58/96/77/1069589677.db2.gz GBCWTZOHVLADDI-XSLAGTTESA-N 2 0 464.611 -0.641 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccsc1)C(N)=O ZINC001221351398 1069589505 /nfs/dbraw/zinc/58/95/05/1069589505.db2.gz GSHATLPOCUQLOY-VJANTYMQSA-N 2 0 494.662 -0.151 20 0 JBADRP CC[C@@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCC[NH2+]C1 ZINC001221351400 1069589545 /nfs/dbraw/zinc/58/95/45/1069589545.db2.gz GTQLFHQYVJIYNP-GSRZOBFVSA-N 2 0 480.654 -0.003 20 0 JBADRP CC[C@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCC[NH2+]C1 ZINC001221351403 1069589662 /nfs/dbraw/zinc/58/96/62/1069589662.db2.gz GTQLFHQYVJIYNP-LYXWCMDISA-N 2 0 480.654 -0.003 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C)C(N)=O ZINC001221351431 1069590453 /nfs/dbraw/zinc/59/04/53/1069590453.db2.gz HGQDVBIBBGAJSZ-OWSLCNJRSA-N 2 0 466.627 -0.537 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C)C(N)=O ZINC001221351434 1069590354 /nfs/dbraw/zinc/59/03/54/1069590354.db2.gz HGQDVBIBBGAJSZ-XSLAGTTESA-N 2 0 466.627 -0.537 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C(N)=O ZINC001221351470 1069590505 /nfs/dbraw/zinc/59/05/05/1069590505.db2.gz HYIYOOKWPHJMEU-ATIWLJMLSA-N 2 0 466.627 -0.409 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1CCC2(C[NH2+]C2)CC1)C(N)=O ZINC001221351524 1069590215 /nfs/dbraw/zinc/59/02/15/1069590215.db2.gz HYRSYXSFIJUATQ-UFYCRDLUSA-N 2 0 492.665 -0.003 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC001221351542 1069590523 /nfs/dbraw/zinc/59/05/23/1069590523.db2.gz IJHXOJPYOSYXAN-MJUPKGCFSA-N 2 0 478.638 -0.537 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001221351577 1069590517 /nfs/dbraw/zinc/59/05/17/1069590517.db2.gz JDPRWGOPVKOARQ-JPLJXNOCSA-N 2 0 466.627 -0.393 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC001221351578 1069590227 /nfs/dbraw/zinc/59/02/27/1069590227.db2.gz JDPRWGOPVKOARQ-LXZJYRNTSA-N 2 0 466.627 -0.393 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C(N)=O ZINC001221351589 1069590395 /nfs/dbraw/zinc/59/03/95/1069590395.db2.gz JKXDUCLWAGKRAD-QAETUUGQSA-N 2 0 488.580 -0.538 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F)C(N)=O ZINC001221351590 1069590413 /nfs/dbraw/zinc/59/04/13/1069590413.db2.gz JKXDUCLWAGKRAD-QZWWFDLISA-N 2 0 488.580 -0.538 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CC(F)C1)C(N)=O ZINC001221351591 1069590256 /nfs/dbraw/zinc/59/02/56/1069590256.db2.gz JNLOQSNLFZRWBJ-WOVJRVSISA-N 2 0 456.563 -0.953 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+]C[C@H]1F)C(N)=O ZINC001221351650 1069590196 /nfs/dbraw/zinc/59/01/96/1069590196.db2.gz KRVQRVQODOYLIO-ADHGMGHFSA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+]C[C@@H]1F)C(N)=O ZINC001221351651 1069590466 /nfs/dbraw/zinc/59/04/66/1069590466.db2.gz KRVQRVQODOYLIO-ATIWLJMLSA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F)C(N)=O ZINC001221351652 1069590530 /nfs/dbraw/zinc/59/05/30/1069590530.db2.gz KRVQRVQODOYLIO-FPSMNIFISA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+]C[C@H]1F)C(N)=O ZINC001221351653 1069590313 /nfs/dbraw/zinc/59/03/13/1069590313.db2.gz KRVQRVQODOYLIO-ZBRFXRBCSA-N 2 0 470.590 -0.835 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC[C@H]1C)C(N)=O ZINC001221351662 1069590833 /nfs/dbraw/zinc/59/08/33/1069590833.db2.gz KZEOPGUDCRKOQB-GFEQUFNTSA-N 2 0 466.627 -0.537 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1)C(N)=O ZINC001221351670 1069591009 /nfs/dbraw/zinc/59/10/09/1069591009.db2.gz LGGOJGLMLJIQDQ-ANULTFPQSA-N 2 0 488.633 -0.040 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1)C(N)=O ZINC001221351787 1069591054 /nfs/dbraw/zinc/59/10/54/1069591054.db2.gz LTSPRPDOTMCRER-ACTFIFLWSA-N 2 0 452.600 -0.641 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1)C(N)=O ZINC001221351788 1069590975 /nfs/dbraw/zinc/59/09/75/1069590975.db2.gz LTSPRPDOTMCRER-DOWNOZBLSA-N 2 0 452.600 -0.641 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C=C1CC[NH2+]CC1)C(N)=O ZINC001221351794 1069591080 /nfs/dbraw/zinc/59/10/80/1069591080.db2.gz LZHARCFWVCOETL-BJLQDIEVSA-N 2 0 464.611 -0.473 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(C[NH3+])ccn1)C(N)=O ZINC001221351814 1069590990 /nfs/dbraw/zinc/59/09/90/1069590990.db2.gz MMBBTENWVKPWEP-WDSOQIARSA-N 2 0 475.594 -0.615 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])[C@@H](C)OC(C)(C)C)C(N)=O ZINC001221351815 1069591109 /nfs/dbraw/zinc/59/11/09/1069591109.db2.gz MSEAKJARFFSMQZ-BCYZHJNNSA-N 2 0 498.669 -0.252 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)C(N)=O ZINC001221351817 1069590865 /nfs/dbraw/zinc/59/08/65/1069590865.db2.gz MSEAKJARFFSMQZ-SPOLIRPYSA-N 2 0 498.669 -0.252 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CC1([NH3+])CCOCC1)C(N)=O ZINC001221351821 1069590925 /nfs/dbraw/zinc/59/09/25/1069590925.db2.gz MVAYMSXEPHBWIU-LNLFQRSKSA-N 2 0 482.626 -0.885 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1C[NH3+])C(N)=O ZINC001221351827 1069591094 /nfs/dbraw/zinc/59/10/94/1069591094.db2.gz MWZNGLMSLQEFPA-UFYCRDLUSA-N 2 0 474.606 -0.010 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1)C(N)=O ZINC001221351838 1069590955 /nfs/dbraw/zinc/59/09/55/1069590955.db2.gz NERNQCJTZRELOG-XSLAGTTESA-N 2 0 452.600 -0.641 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])COC(C)(C)C)C(N)=O ZINC001221351844 1069591142 /nfs/dbraw/zinc/59/11/42/1069591142.db2.gz NJEBCDRLIOTALV-XSLAGTTESA-N 2 0 484.642 -0.640 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(N)=O ZINC001221351864 1069590905 /nfs/dbraw/zinc/59/09/05/1069590905.db2.gz NRUAMPACBDVVSD-MUGJNUQGSA-N 3 0 497.685 -0.724 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C(N)=O ZINC001221351871 1069591132 /nfs/dbraw/zinc/59/11/32/1069591132.db2.gz NVSNDWIPRZYXQO-AQBJMCTPSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C(N)=O ZINC001221351872 1069591023 /nfs/dbraw/zinc/59/10/23/1069591023.db2.gz NVSNDWIPRZYXQO-IUUWJXCHSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C(N)=O ZINC001221351873 1069590849 /nfs/dbraw/zinc/59/08/49/1069590849.db2.gz NVSNDWIPRZYXQO-RBIWONGKSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C(N)=O ZINC001221351875 1069591039 /nfs/dbraw/zinc/59/10/39/1069591039.db2.gz NVSNDWIPRZYXQO-WVTLLZAPSA-N 2 0 464.611 -0.783 20 0 JBADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351877 1069590940 /nfs/dbraw/zinc/59/09/40/1069590940.db2.gz OBDAIDNSWFTZMB-XSLAGTTESA-N 2 0 454.616 -0.552 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)C(N)=O ZINC001221351882 1069591067 /nfs/dbraw/zinc/59/10/67/1069591067.db2.gz OFGFPPRYDXEEPL-BCYZHJNNSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)C(N)=O ZINC001221351883 1069590815 /nfs/dbraw/zinc/59/08/15/1069590815.db2.gz OFGFPPRYDXEEPL-LFDJNIOPSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)C(N)=O ZINC001221351884 1069591616 /nfs/dbraw/zinc/59/16/16/1069591616.db2.gz OFGFPPRYDXEEPL-OYSTVDSJSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)C(N)=O ZINC001221351886 1069591685 /nfs/dbraw/zinc/59/16/85/1069591685.db2.gz OFGFPPRYDXEEPL-VMXHOPILSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc(C[NH3+])c1)C(N)=O ZINC001221351894 1069591572 /nfs/dbraw/zinc/59/15/72/1069591572.db2.gz OKRMNJUWGCHPQY-UFYCRDLUSA-N 2 0 474.606 -0.010 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@]1(C)CC[NH2+]C1)C(N)=O ZINC001221351923 1069591757 /nfs/dbraw/zinc/59/17/57/1069591757.db2.gz PADBHJUNXIRGBT-BDLQGWJCSA-N 2 0 466.627 -0.393 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@]1(C)CC[NH2+]C1)C(N)=O ZINC001221351925 1069591644 /nfs/dbraw/zinc/59/16/44/1069591644.db2.gz PADBHJUNXIRGBT-MQKZXWNDSA-N 2 0 466.627 -0.393 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C)C(N)=O ZINC001221351932 1069591538 /nfs/dbraw/zinc/59/15/38/1069591538.db2.gz PAVSMTKDEDDOMG-DYKIIFRCSA-N 2 0 478.638 -0.539 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C(C)(C)C)C(N)=O ZINC001221351935 1069591608 /nfs/dbraw/zinc/59/16/08/1069591608.db2.gz PDCAFGYJKLPUDM-BMFAXAFESA-N 2 0 468.643 -0.019 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(N)=O ZINC001221352112 1069591768 /nfs/dbraw/zinc/59/17/68/1069591768.db2.gz PTSGZOYPEZCTDU-XEZGLNCPSA-N 2 0 464.611 -0.642 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)C(N)=O ZINC001221352114 1069591629 /nfs/dbraw/zinc/59/16/29/1069591629.db2.gz PVIXRVFKDKMCFZ-YRIPFXIYSA-N 2 0 494.637 -0.873 20 0 JBADRP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352122 1069591594 /nfs/dbraw/zinc/59/15/94/1069591594.db2.gz QEMCLDJJLKKVKI-VKESLTNKSA-N 2 0 468.643 -0.019 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CC(C)(C)C[NH2+]1)C(N)=O ZINC001221352130 1069591733 /nfs/dbraw/zinc/59/17/33/1069591733.db2.gz QKOVRAKUEWIMTE-KOAQGZTJSA-N 2 0 480.654 -0.005 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC(C)(C)C[NH2+]1)C(N)=O ZINC001221352131 1069591556 /nfs/dbraw/zinc/59/15/56/1069591556.db2.gz QKOVRAKUEWIMTE-LZDTVADOSA-N 2 0 480.654 -0.005 20 0 JBADRP CC[C@H](C)[C@@H]([NH2+]C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352143 1069591746 /nfs/dbraw/zinc/59/17/46/1069591746.db2.gz RFLIDCCJJOTFFK-VPAKFMSCSA-N 2 0 468.643 -0.149 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCSC12C[NH2+]C2)C(N)=O ZINC001221352153 1069592594 /nfs/dbraw/zinc/59/25/94/1069592594.db2.gz RLUFFVBEXZRZER-OWSLCNJRSA-N 2 0 496.678 -0.688 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCSC12C[NH2+]C2)C(N)=O ZINC001221352154 1069592532 /nfs/dbraw/zinc/59/25/32/1069592532.db2.gz RLUFFVBEXZRZER-XSLAGTTESA-N 2 0 496.678 -0.688 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cscn1)C(N)=O ZINC001221352165 1069592401 /nfs/dbraw/zinc/59/24/01/1069592401.db2.gz RVAXHGLRCMLSNP-XSLAGTTESA-N 2 0 495.650 -0.756 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[NH2+]C1)C(N)=O ZINC001221352178 1069592585 /nfs/dbraw/zinc/59/25/85/1069592585.db2.gz RZNBKQOJOJINTR-VJANTYMQSA-N 2 0 466.627 -0.393 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]C1)C(N)=O ZINC001221352179 1069592265 /nfs/dbraw/zinc/59/22/65/1069592265.db2.gz RZNBKQOJOJINTR-XWSJACJDSA-N 2 0 466.627 -0.393 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CC[NH2+]C[C@H]1F)C(N)=O ZINC001221352181 1069592431 /nfs/dbraw/zinc/59/24/31/1069592431.db2.gz SCGDCKCKFKAOBV-JGLNRKDHSA-N 2 0 484.617 -0.445 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CC[NH2+]C[C@@H]1F)C(N)=O ZINC001221352182 1069592546 /nfs/dbraw/zinc/59/25/46/1069592546.db2.gz SCGDCKCKFKAOBV-NSOKGPEJSA-N 2 0 484.617 -0.445 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[NH2+]C[C@H]1F)C(N)=O ZINC001221352183 1069592301 /nfs/dbraw/zinc/59/23/01/1069592301.db2.gz SCGDCKCKFKAOBV-STEXWYFWSA-N 2 0 484.617 -0.445 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1F)C(N)=O ZINC001221352184 1069592191 /nfs/dbraw/zinc/59/21/91/1069592191.db2.gz SCGDCKCKFKAOBV-VKESLTNKSA-N 2 0 484.617 -0.445 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1CC[NH2+]CC1)C(N)=O ZINC001221352351 1069592286 /nfs/dbraw/zinc/59/22/86/1069592286.db2.gz SVNISTOGXVPODK-BZSNNMDCSA-N 2 0 452.600 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CCCC1)C(N)=O ZINC001221352478 1069592130 /nfs/dbraw/zinc/59/21/30/1069592130.db2.gz VEAYQNHGEJETGG-ULQDDVLXSA-N 2 0 452.600 -0.511 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1)C(N)=O ZINC001221352484 1069593115 /nfs/dbraw/zinc/59/31/15/1069593115.db2.gz VEFFQBUPDDYDJZ-ACTFIFLWSA-N 2 0 452.600 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1)C(N)=O ZINC001221352487 1069593150 /nfs/dbraw/zinc/59/31/50/1069593150.db2.gz VEFFQBUPDDYDJZ-DOWNOZBLSA-N 2 0 452.600 -0.783 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])COC(C)(C)C)C(N)=O ZINC001221352506 1069593086 /nfs/dbraw/zinc/59/30/86/1069593086.db2.gz VGWLHSWKJSFAOG-LXZJYRNTSA-N 2 0 498.669 -0.250 20 0 JBADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352526 1069593193 /nfs/dbraw/zinc/59/31/93/1069593193.db2.gz VNONXFRTSXNDLC-JPLJXNOCSA-N 2 0 468.643 -0.019 20 0 JBADRP C[NH2+][C@@H](CC(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 ZINC001221352554 1069593071 /nfs/dbraw/zinc/59/30/71/1069593071.db2.gz WPZJEHOVRBULGU-VJANTYMQSA-N 2 0 468.643 -0.149 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC001221352557 1069593103 /nfs/dbraw/zinc/59/31/03/1069593103.db2.gz WRJCKIYHSPTSKZ-GFEQUFNTSA-N 2 0 466.627 -0.265 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(C[NH3+])nc1)C(N)=O ZINC001221352643 1069593037 /nfs/dbraw/zinc/59/30/37/1069593037.db2.gz XFXBHPZKVIGGFO-FHWLQOOXSA-N 2 0 475.594 -0.615 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+][C@@H]1C)C(N)=O ZINC001221352685 1069593079 /nfs/dbraw/zinc/59/30/79/1069593079.db2.gz YQQHWRJMXWUMCG-BCYZHJNNSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(N)=O ZINC001221352686 1069593015 /nfs/dbraw/zinc/59/30/15/1069593015.db2.gz YQQHWRJMXWUMCG-GFEQUFNTSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(N)=O ZINC001221352689 1069593141 /nfs/dbraw/zinc/59/31/41/1069593141.db2.gz YQQHWRJMXWUMCG-PJVZLEMVSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C)C(N)=O ZINC001221352691 1069593097 /nfs/dbraw/zinc/59/30/97/1069593097.db2.gz YQQHWRJMXWUMCG-VMXHOPILSA-N 2 0 466.627 -0.395 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C12CCC([NH3+])(CC1)C2)C(N)=O ZINC001221352694 1069593805 /nfs/dbraw/zinc/59/38/05/1069593805.db2.gz YRAWSYHFPRMBFV-NRAVYRKWSA-N 2 0 478.638 -0.121 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC1CCC1)C(N)=O ZINC001221352699 1069593615 /nfs/dbraw/zinc/59/36/15/1069593615.db2.gz YRPMRGHUMWZQKW-VJANTYMQSA-N 2 0 466.627 -0.265 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2)C(N)=O ZINC001221352729 1069593554 /nfs/dbraw/zinc/59/35/54/1069593554.db2.gz ZTPUAIZOFHDQNV-UGCZWRCOSA-N 2 0 464.611 -0.642 20 0 JBADRP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)CN(CC[NH3+])S(C)(=O)=O)ccc12 ZINC001221352811 1069593680 /nfs/dbraw/zinc/59/36/80/1069593680.db2.gz HANDAYCRTYAEMW-KRWDZBQOSA-N 2 0 481.575 -0.126 20 0 JBADRP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221353614 1069593769 /nfs/dbraw/zinc/59/37/69/1069593769.db2.gz PZBMHDXQDWRXSW-ROUUACIJSA-N 2 0 457.531 -0.016 20 0 JBADRP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)[C@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221353621 1069593646 /nfs/dbraw/zinc/59/36/46/1069593646.db2.gz PZBMHDXQDWRXSW-ZWKOTPCHSA-N 2 0 457.531 -0.016 20 0 JBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1cc(-c2ccc(C[NH3+])cc2)nn(C)c1=O)C(C)(C)C ZINC001221358762 1069593935 /nfs/dbraw/zinc/59/39/35/1069593935.db2.gz RABJGWCYUPMISH-GUYCJALGSA-N 2 0 471.562 -0.255 20 0 JBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001221381883 1069594583 /nfs/dbraw/zinc/59/45/83/1069594583.db2.gz LTACTUISIVDGQD-UHFFFAOYSA-N 2 0 465.598 -0.309 20 0 JBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221382171 1069594397 /nfs/dbraw/zinc/59/43/97/1069594397.db2.gz OZKGLGAYSCTUBU-FZMZJTMJSA-N 2 0 472.568 -0.822 20 0 JBADRP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001221382655 1069594200 /nfs/dbraw/zinc/59/42/00/1069594200.db2.gz WNLUWJQKAZDUKV-SWLSCSKDSA-N 2 0 486.595 -0.432 20 0 JBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001221391354 1069595179 /nfs/dbraw/zinc/59/51/79/1069595179.db2.gz LQMOQIDQKPRLCI-ICSRJNTNSA-N 3 0 461.611 -0.123 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1)C(=O)CF ZINC001221392855 1069595389 /nfs/dbraw/zinc/59/53/89/1069595389.db2.gz OOQSFDRAMVSYSQ-XQAUZQBESA-N 2 0 480.585 -0.544 20 0 JBADRP COc1cccc([C@H](C[NH3+])NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1 ZINC001221404126 1069595144 /nfs/dbraw/zinc/59/51/44/1069595144.db2.gz GTWBLUJURFPGAW-FDRFZEDHSA-N 2 0 467.542 -0.287 20 0 JBADRP COc1cccc([C@@H](C[NH3+])NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1 ZINC001221404127 1069595321 /nfs/dbraw/zinc/59/53/21/1069595321.db2.gz GTWBLUJURFPGAW-NYYTWLDWSA-N 2 0 467.542 -0.287 20 0 JBADRP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001230073576 1069613456 /nfs/dbraw/zinc/61/34/56/1069613456.db2.gz MKFPFSLWMZQEJX-NRFANRHFSA-N 2 0 452.644 -0.121 20 0 JBADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001230073585 1069613495 /nfs/dbraw/zinc/61/34/95/1069613495.db2.gz MKFPFSLWMZQEJX-OAQYLSRUSA-N 2 0 452.644 -0.121 20 0 JBADRP C[NH+]1CCC(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)(N2CCOCC2)CC1 ZINC001230074579 1069613370 /nfs/dbraw/zinc/61/33/70/1069613370.db2.gz TZQRZALVIUHGCC-UHFFFAOYSA-N 2 0 452.644 -0.121 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3cnc4n3CC[NH2+]CC4)CC[C@@H]12 ZINC001235495764 1069620082 /nfs/dbraw/zinc/62/00/82/1069620082.db2.gz ZJZJLCQTZZAPDE-KNQAVFIVSA-N 2 0 480.635 -0.496 20 0 JBADRP CN(C)C(=O)CN1C[C@H]2CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)CC[C@H]2S1(=O)=O ZINC001235625056 1069620989 /nfs/dbraw/zinc/62/09/89/1069620989.db2.gz OEJGRLFJGSCGDP-RTBURBONSA-N 2 0 450.609 -0.195 20 0 JBADRP CN(C)C(=O)CN1C[C@H]2CC[N@H+](Cc3cccc(C(=O)NCC[NH3+])c3)CC[C@H]2S1(=O)=O ZINC001235626939 1069621139 /nfs/dbraw/zinc/62/11/39/1069621139.db2.gz ZHZNNXRNZZPYBD-RTBURBONSA-N 2 0 451.593 -0.311 20 0 JBADRP CS(=O)(=O)N1CCC(C[NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001236262287 1069621963 /nfs/dbraw/zinc/62/19/63/1069621963.db2.gz LZLRUNYTNIEUKF-ROUUACIJSA-N 2 0 463.595 -0.126 20 0 JBADRP CN1CCN(c2cc(S(C)(=O)=O)ccc2CN(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236312673 1069622797 /nfs/dbraw/zinc/62/27/97/1069622797.db2.gz ZAHZIFGNSUCSMT-UHFFFAOYSA-N 2 0 454.641 -0.542 20 0 JBADRP O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238242157 1069625071 /nfs/dbraw/zinc/62/50/71/1069625071.db2.gz MXBBNAVWNSFCQK-INIZCTEOSA-N 2 0 458.606 -0.140 20 0 JBADRP O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238242159 1069625906 /nfs/dbraw/zinc/62/59/06/1069625906.db2.gz MXBBNAVWNSFCQK-MRXNPFEDSA-N 2 0 458.606 -0.140 20 0 JBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(F)(F)F ZINC001239130988 1069632732 /nfs/dbraw/zinc/63/27/32/1069632732.db2.gz IUPDWTWMTOPFOT-UHFFFAOYSA-N 2 0 465.498 -0.058 20 0 JBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC001239131232 1069632768 /nfs/dbraw/zinc/63/27/68/1069632768.db2.gz KLNRNVPZZCZJBH-UHFFFAOYSA-N 2 0 456.569 -0.645 20 0 JBADRP CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131257 1069632606 /nfs/dbraw/zinc/63/26/06/1069632606.db2.gz LAZXUIWNVWFOSI-UHFFFAOYSA-N 2 0 458.585 -0.017 20 0 JBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001239131604 1069632627 /nfs/dbraw/zinc/63/26/27/1069632627.db2.gz RYPVGLWNXBMBAZ-UHFFFAOYSA-N 2 0 479.525 -0.062 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCNC(=S)NCC[NH+]1CCCCC1 ZINC001239377228 1069633665 /nfs/dbraw/zinc/63/36/65/1069633665.db2.gz ZIIZELIZTZHUGI-UHFFFAOYSA-N 2 0 450.646 -0.022 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001245990034 1069636736 /nfs/dbraw/zinc/63/67/36/1069636736.db2.gz BBSJHCXSFXZHCS-JOCHJYFZSA-N 2 0 474.595 -0.408 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001245990036 1069636972 /nfs/dbraw/zinc/63/69/72/1069636972.db2.gz BBSJHCXSFXZHCS-QFIPXVFZSA-N 2 0 474.595 -0.408 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CC[C@H]([NH2+]C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)c2nonc21 ZINC001245994832 1069636917 /nfs/dbraw/zinc/63/69/17/1069636917.db2.gz BYUQXACPXCJQFA-GJZGRUSLSA-N 2 0 468.580 -0.493 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CC[C@H]([NH2+]C[C@H](O)CC3(O)CC[NH2+]CC3)C2)c2nonc21 ZINC001245994869 1069636855 /nfs/dbraw/zinc/63/68/55/1069636855.db2.gz BYUQXACPXCJQFA-LSDHHAIUSA-N 2 0 468.580 -0.493 20 0 JBADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]CC2(O)CC[NH2+]CC2)cc1 ZINC001245999162 1069636999 /nfs/dbraw/zinc/63/69/99/1069636999.db2.gz MKDMGCYTMDTAAV-VBSBHUPXSA-N 2 0 474.514 -0.555 20 0 JBADRP O=C(C[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1)NCCOCCOCCOCc1ccccc1 ZINC001246013700 1069637686 /nfs/dbraw/zinc/63/76/86/1069637686.db2.gz IEIDNKLFWCJTEQ-NRFANRHFSA-N 2 0 453.580 -0.192 20 0 JBADRP O=C(C[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1)NCCOCCOCCOCc1ccccc1 ZINC001246013701 1069637729 /nfs/dbraw/zinc/63/77/29/1069637729.db2.gz IEIDNKLFWCJTEQ-OAQYLSRUSA-N 2 0 453.580 -0.192 20 0 JBADRP COCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015967 1069637719 /nfs/dbraw/zinc/63/77/19/1069637719.db2.gz CWFPBJGDKMMRMB-FQEVSTJZSA-N 2 0 452.589 -0.829 20 0 JBADRP COCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246015968 1069637697 /nfs/dbraw/zinc/63/76/97/1069637697.db2.gz CWFPBJGDKMMRMB-HXUWFJFHSA-N 2 0 452.589 -0.829 20 0 JBADRP COC(=O)[C@H](CCCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)NC(=O)CNC(C)=O ZINC001246019115 1069637710 /nfs/dbraw/zinc/63/77/10/1069637710.db2.gz JIQRNTXAUJMINY-GBESFXJTSA-N 2 0 458.506 -0.251 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246020889 1069637597 /nfs/dbraw/zinc/63/75/97/1069637597.db2.gz UNNQJFGRZUTBBW-UHFFFAOYSA-N 2 0 452.589 -0.564 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001246022623 1069637704 /nfs/dbraw/zinc/63/77/04/1069637704.db2.gz ZZHKFPWQTZSXHC-NRFANRHFSA-N 2 0 452.589 -0.564 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001246022624 1069637648 /nfs/dbraw/zinc/63/76/48/1069637648.db2.gz ZZHKFPWQTZSXHC-OAQYLSRUSA-N 2 0 452.589 -0.564 20 0 JBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246030142 1069637701 /nfs/dbraw/zinc/63/77/01/1069637701.db2.gz CNQUBHRMAZDRPE-BKSPAHHJSA-N 2 0 488.633 -0.281 20 0 JBADRP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246030145 1069637628 /nfs/dbraw/zinc/63/76/28/1069637628.db2.gz CNQUBHRMAZDRPE-WATLYSKOSA-N 2 0 488.633 -0.281 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC3)C1=O ZINC001246032589 1069637721 /nfs/dbraw/zinc/63/77/21/1069637721.db2.gz COEBZVAZICJEDD-DYESRHJHSA-N 2 0 458.625 -0.942 20 0 JBADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC3)C1=O ZINC001246032616 1069637583 /nfs/dbraw/zinc/63/75/83/1069637583.db2.gz COEBZVAZICJEDD-LAUBAEHRSA-N 2 0 458.625 -0.942 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC3)C1=O ZINC001246032634 1069637614 /nfs/dbraw/zinc/63/76/14/1069637614.db2.gz COEBZVAZICJEDD-UTKZUKDTSA-N 2 0 458.625 -0.942 20 0 JBADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC3)C1=O ZINC001246032640 1069637550 /nfs/dbraw/zinc/63/75/50/1069637550.db2.gz COEBZVAZICJEDD-UWJYYQICSA-N 2 0 458.625 -0.942 20 0 JBADRP CN(C)C(=O)N1CC2(CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001246035615 1069637573 /nfs/dbraw/zinc/63/75/73/1069637573.db2.gz KFASIIKDIZOIBH-FDDCHVKYSA-N 2 0 451.612 -0.220 20 0 JBADRP CN(C)C(=O)N1CC2(CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001246035618 1069637612 /nfs/dbraw/zinc/63/76/12/1069637612.db2.gz KFASIIKDIZOIBH-JPYJTQIMSA-N 2 0 451.612 -0.220 20 0 JBADRP CN(C)C(=O)N1CC2(CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001246035621 1069638491 /nfs/dbraw/zinc/63/84/91/1069638491.db2.gz KFASIIKDIZOIBH-MBSDFSHPSA-N 2 0 451.612 -0.220 20 0 JBADRP CN(C)C(=O)N1CC2(CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001246035624 1069638637 /nfs/dbraw/zinc/63/86/37/1069638637.db2.gz KFASIIKDIZOIBH-WZONZLPQSA-N 2 0 451.612 -0.220 20 0 JBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036506 1069638675 /nfs/dbraw/zinc/63/86/75/1069638675.db2.gz CARPREVEBAJYKB-DENIHFKCSA-N 2 0 460.579 -0.278 20 0 JBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036527 1069638664 /nfs/dbraw/zinc/63/86/64/1069638664.db2.gz CARPREVEBAJYKB-KNQAVFIVSA-N 2 0 460.579 -0.278 20 0 JBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036528 1069638531 /nfs/dbraw/zinc/63/85/31/1069638531.db2.gz CARPREVEBAJYKB-SIKLNZKXSA-N 2 0 460.579 -0.278 20 0 JBADRP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036530 1069638592 /nfs/dbraw/zinc/63/85/92/1069638592.db2.gz CARPREVEBAJYKB-UGKGYDQZSA-N 2 0 460.579 -0.278 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)CC[C@@H]12 ZINC001246038517 1069638620 /nfs/dbraw/zinc/63/86/20/1069638620.db2.gz RJXOAOMILJTQCO-NXYDZRKXSA-N 2 0 494.658 -0.108 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)c2nonc21 ZINC001246052904 1069639290 /nfs/dbraw/zinc/63/92/90/1069639290.db2.gz MJKHCJLOKLATEI-HNNXBMFYSA-N 2 0 468.580 -0.539 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)c2nonc21 ZINC001246052910 1069639326 /nfs/dbraw/zinc/63/93/26/1069639326.db2.gz MJKHCJLOKLATEI-OAHLLOKOSA-N 2 0 468.580 -0.539 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[C@@H](C)[NH2+]C1)c(N)nc2=O ZINC001246206794 1069640044 /nfs/dbraw/zinc/64/00/44/1069640044.db2.gz ACWBGIWYWFEOCP-APIJFGDWSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[C@@H](C)[NH2+]C1)c(N)nc2=O ZINC001246206795 1069640188 /nfs/dbraw/zinc/64/01/88/1069640188.db2.gz ACWBGIWYWFEOCP-CBBWQLFWSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[C@@H](C)[NH2+]C1)c(N)nc2=O ZINC001246206796 1069640134 /nfs/dbraw/zinc/64/01/34/1069640134.db2.gz ACWBGIWYWFEOCP-KBXIAJHMSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[C@@H](C)[NH2+]C1)c(N)nc2=O ZINC001246206797 1069640023 /nfs/dbraw/zinc/64/00/23/1069640023.db2.gz ACWBGIWYWFEOCP-QPSCCSFWSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246206826 1069640143 /nfs/dbraw/zinc/64/01/43/1069640143.db2.gz AUZVWZYVCLCFIH-BLNMRFBMSA-N 2 0 463.539 -0.508 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246206827 1069640008 /nfs/dbraw/zinc/64/00/08/1069640008.db2.gz AUZVWZYVCLCFIH-CQJMVSDSSA-N 2 0 463.539 -0.508 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246206828 1069640194 /nfs/dbraw/zinc/64/01/94/1069640194.db2.gz AUZVWZYVCLCFIH-OTJKEOIZSA-N 2 0 463.539 -0.508 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246206829 1069640055 /nfs/dbraw/zinc/64/00/55/1069640055.db2.gz AUZVWZYVCLCFIH-QRJUGERDSA-N 2 0 463.539 -0.508 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246206830 1069640091 /nfs/dbraw/zinc/64/00/91/1069640091.db2.gz AUZVWZYVCLCFIH-XFIYOXNOSA-N 2 0 463.539 -0.508 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246206831 1069640170 /nfs/dbraw/zinc/64/01/70/1069640170.db2.gz AUZVWZYVCLCFIH-YKUJZXIWSA-N 2 0 463.539 -0.508 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207198 1069640068 /nfs/dbraw/zinc/64/00/68/1069640068.db2.gz CAPXFUFHIXDLEL-BIVLZKPYSA-N 2 0 477.566 -0.118 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207199 1069640157 /nfs/dbraw/zinc/64/01/57/1069640157.db2.gz CAPXFUFHIXDLEL-BQJWPVKWSA-N 2 0 477.566 -0.118 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207200 1069640104 /nfs/dbraw/zinc/64/01/04/1069640104.db2.gz CAPXFUFHIXDLEL-JZAWBGDQSA-N 2 0 477.566 -0.118 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)c(N)nc2=O ZINC001246207203 1069640179 /nfs/dbraw/zinc/64/01/79/1069640179.db2.gz CAPXFUFHIXDLEL-QEOTZNIISA-N 2 0 477.566 -0.118 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207888 1069640081 /nfs/dbraw/zinc/64/00/81/1069640081.db2.gz GHHKJSZTVGPQBR-LTIDMASMSA-N 2 0 479.582 -0.014 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207907 1069640124 /nfs/dbraw/zinc/64/01/24/1069640124.db2.gz GHHKJSZTVGPQBR-LUKYLMHMSA-N 2 0 479.582 -0.014 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207909 1069640838 /nfs/dbraw/zinc/64/08/38/1069640838.db2.gz GHHKJSZTVGPQBR-QAETUUGQSA-N 2 0 479.582 -0.014 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C(C)C)C1)c(N)nc2=O ZINC001246207910 1069640856 /nfs/dbraw/zinc/64/08/56/1069640856.db2.gz GHHKJSZTVGPQBR-QZWWFDLISA-N 2 0 479.582 -0.014 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208260 1069640755 /nfs/dbraw/zinc/64/07/55/1069640755.db2.gz HLPDWTMLKKGZKG-ILXRZTDVSA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208265 1069640994 /nfs/dbraw/zinc/64/09/94/1069640994.db2.gz HLPDWTMLKKGZKG-KKUMJFAQSA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208267 1069640719 /nfs/dbraw/zinc/64/07/19/1069640719.db2.gz HLPDWTMLKKGZKG-QLFBSQMISA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[NH2+]CC1)c(N)nc2=O ZINC001246208269 1069640821 /nfs/dbraw/zinc/64/08/21/1069640821.db2.gz HLPDWTMLKKGZKG-SOUVJXGZSA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208370 1069640792 /nfs/dbraw/zinc/64/07/92/1069640792.db2.gz HZVJSOFJLPQAAN-HRCADAONSA-N 2 0 477.566 -0.116 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208376 1069640917 /nfs/dbraw/zinc/64/09/17/1069640917.db2.gz HZVJSOFJLPQAAN-JYJNAYRXSA-N 2 0 477.566 -0.116 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208381 1069640891 /nfs/dbraw/zinc/64/08/91/1069640891.db2.gz HZVJSOFJLPQAAN-OWCLPIDISA-N 2 0 477.566 -0.116 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C3(CCC3)C1)c(N)nc2=O ZINC001246208383 1069640769 /nfs/dbraw/zinc/64/07/69/1069640769.db2.gz HZVJSOFJLPQAAN-PMPSAXMXSA-N 2 0 477.566 -0.116 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CCC3(C[NH2+]C3)CC1)c(N)nc2=O ZINC001246208636 1069640950 /nfs/dbraw/zinc/64/09/50/1069640950.db2.gz JYMCCKRDSHOZFW-HOTGVXAUSA-N 2 0 477.566 -0.259 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CCC3(C[NH2+]C3)CC1)c(N)nc2=O ZINC001246208641 1069640932 /nfs/dbraw/zinc/64/09/32/1069640932.db2.gz JYMCCKRDSHOZFW-JKSUJKDBSA-N 2 0 477.566 -0.259 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208984 1069640737 /nfs/dbraw/zinc/64/07/37/1069640737.db2.gz KNOJZPXHQAMSTO-ILXRZTDVSA-N 2 0 463.539 -0.649 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208985 1069640874 /nfs/dbraw/zinc/64/08/74/1069640874.db2.gz KNOJZPXHQAMSTO-KKUMJFAQSA-N 2 0 463.539 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208986 1069640966 /nfs/dbraw/zinc/64/09/66/1069640966.db2.gz KNOJZPXHQAMSTO-QLFBSQMISA-N 2 0 463.539 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246208987 1069640807 /nfs/dbraw/zinc/64/08/07/1069640807.db2.gz KNOJZPXHQAMSTO-SOUVJXGZSA-N 2 0 463.539 -0.649 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210011 1069641482 /nfs/dbraw/zinc/64/14/82/1069641482.db2.gz OBFWOIZTWYWJMG-ILXRZTDVSA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210014 1069641696 /nfs/dbraw/zinc/64/16/96/1069641696.db2.gz OBFWOIZTWYWJMG-KKUMJFAQSA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210018 1069641539 /nfs/dbraw/zinc/64/15/39/1069641539.db2.gz OBFWOIZTWYWJMG-QLFBSQMISA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCCC[NH2+]C1)c(N)nc2=O ZINC001246210019 1069641744 /nfs/dbraw/zinc/64/17/44/1069641744.db2.gz OBFWOIZTWYWJMG-SOUVJXGZSA-N 2 0 451.528 -0.649 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210348 1069641639 /nfs/dbraw/zinc/64/16/39/1069641639.db2.gz OHTZPWIVGTWRAM-AJNGGQMLSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210350 1069641508 /nfs/dbraw/zinc/64/15/08/1069641508.db2.gz OHTZPWIVGTWRAM-APIJFGDWSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210354 1069641516 /nfs/dbraw/zinc/64/15/16/1069641516.db2.gz OHTZPWIVGTWRAM-CBBWQLFWSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210357 1069641461 /nfs/dbraw/zinc/64/14/61/1069641461.db2.gz OHTZPWIVGTWRAM-KBXIAJHMSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210360 1069641681 /nfs/dbraw/zinc/64/16/81/1069641681.db2.gz OHTZPWIVGTWRAM-LJISPDSOSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246210364 1069641669 /nfs/dbraw/zinc/64/16/69/1069641669.db2.gz OHTZPWIVGTWRAM-QPSCCSFWSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210369 1069641605 /nfs/dbraw/zinc/64/16/05/1069641605.db2.gz OHTZPWIVGTWRAM-XGUBFFRZSA-N 2 0 451.528 -0.650 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246210373 1069641708 /nfs/dbraw/zinc/64/17/08/1069641708.db2.gz OHTZPWIVGTWRAM-ZQDZILKHSA-N 2 0 451.528 -0.650 20 0 JBADRP C[NH2+]C1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001246210682 1069641621 /nfs/dbraw/zinc/64/16/21/1069641621.db2.gz QHWHZYBCQXHAFC-CKUJCDMFSA-N 2 0 465.555 -0.260 20 0 JBADRP C[NH2+]C1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001246210700 1069641558 /nfs/dbraw/zinc/64/15/58/1069641558.db2.gz QHWHZYBCQXHAFC-SSHXOBKSSA-N 2 0 465.555 -0.260 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211251 1069641659 /nfs/dbraw/zinc/64/16/59/1069641659.db2.gz RNIGDASRSFTKRZ-CQJMVSDSSA-N 2 0 463.539 -0.793 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211254 1069641586 /nfs/dbraw/zinc/64/15/86/1069641586.db2.gz RNIGDASRSFTKRZ-OTJKEOIZSA-N 2 0 463.539 -0.793 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211255 1069641723 /nfs/dbraw/zinc/64/17/23/1069641723.db2.gz RNIGDASRSFTKRZ-QRJUGERDSA-N 2 0 463.539 -0.793 20 0 JBADRP COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@@H]1CCNC2(C[NH2+]C2)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001246211482 1069641731 /nfs/dbraw/zinc/64/17/31/1069641731.db2.gz KEXGTFSGUWVEJF-AEFFLSMTSA-N 2 0 466.608 -0.115 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001246211541 1069641521 /nfs/dbraw/zinc/64/15/21/1069641521.db2.gz RNIGDASRSFTKRZ-XFIYOXNOSA-N 2 0 463.539 -0.793 20 0 JBADRP COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@H]1CCNC2(C[NH2+]C2)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001246211609 1069641496 /nfs/dbraw/zinc/64/14/96/1069641496.db2.gz KEXGTFSGUWVEJF-WMZOPIPTSA-N 2 0 466.608 -0.115 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H](C)[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246211980 1069642505 /nfs/dbraw/zinc/64/25/05/1069642505.db2.gz UGXVGLMGOYVTGD-LUYZLQTOSA-N 2 0 465.555 -0.262 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246212036 1069642529 /nfs/dbraw/zinc/64/25/29/1069642529.db2.gz UGXVGLMGOYVTGD-QRJUGERDSA-N 2 0 465.555 -0.262 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H](C)[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246212040 1069642444 /nfs/dbraw/zinc/64/24/44/1069642444.db2.gz UGXVGLMGOYVTGD-VDERGJSUSA-N 2 0 465.555 -0.262 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c(N)nc2=O ZINC001246212043 1069642487 /nfs/dbraw/zinc/64/24/87/1069642487.db2.gz UGXVGLMGOYVTGD-XFIYOXNOSA-N 2 0 465.555 -0.262 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212988 1069642466 /nfs/dbraw/zinc/64/24/66/1069642466.db2.gz XPHNWGFEQLKULR-ILXRZTDVSA-N 2 0 465.555 -0.260 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212990 1069642542 /nfs/dbraw/zinc/64/25/42/1069642542.db2.gz XPHNWGFEQLKULR-KKUMJFAQSA-N 2 0 465.555 -0.260 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212992 1069642412 /nfs/dbraw/zinc/64/24/12/1069642412.db2.gz XPHNWGFEQLKULR-QLFBSQMISA-N 2 0 465.555 -0.260 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[NH2+]C(C)(C)C1)c(N)nc2=O ZINC001246212994 1069642512 /nfs/dbraw/zinc/64/25/12/1069642512.db2.gz XPHNWGFEQLKULR-SOUVJXGZSA-N 2 0 465.555 -0.260 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CSC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246213030 1069642379 /nfs/dbraw/zinc/64/23/79/1069642379.db2.gz XXTNQAMMHRUOBB-HZSPNIEDSA-N 2 0 481.579 -0.943 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CSC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246213033 1069642455 /nfs/dbraw/zinc/64/24/55/1069642455.db2.gz XXTNQAMMHRUOBB-IHRRRGAJSA-N 2 0 481.579 -0.943 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CSC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246213034 1069642496 /nfs/dbraw/zinc/64/24/96/1069642496.db2.gz XXTNQAMMHRUOBB-MELADBBJSA-N 2 0 481.579 -0.943 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CSC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246213035 1069642537 /nfs/dbraw/zinc/64/25/37/1069642537.db2.gz XXTNQAMMHRUOBB-RDBSUJKOSA-N 2 0 481.579 -0.943 20 0 JBADRP CC[C@@H]1C[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC[NH2+]1 ZINC001246213259 1069642476 /nfs/dbraw/zinc/64/24/76/1069642476.db2.gz YATUXYSTUIXKBB-FXUDXRNXSA-N 2 0 465.555 -0.260 20 0 JBADRP CC[C@@H]1C[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC[NH2+]1 ZINC001246213264 1069642520 /nfs/dbraw/zinc/64/25/20/1069642520.db2.gz YATUXYSTUIXKBB-LVQVYYBASA-N 2 0 465.555 -0.260 20 0 JBADRP CC[C@@H]1C[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC[NH2+]1 ZINC001246213269 1069643272 /nfs/dbraw/zinc/64/32/72/1069643272.db2.gz YATUXYSTUIXKBB-UGUYLWEFSA-N 2 0 465.555 -0.260 20 0 JBADRP CC[C@@H]1C[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC[NH2+]1 ZINC001246213275 1069643090 /nfs/dbraw/zinc/64/30/90/1069643090.db2.gz YATUXYSTUIXKBB-WCVJEAGWSA-N 2 0 465.555 -0.260 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H]3C=C[C@H](C1)[NH2+]3)c(N)nc2=O ZINC001246213279 1069643221 /nfs/dbraw/zinc/64/32/21/1069643221.db2.gz YBSWNGBTJDKINM-BLNMRFBMSA-N 2 0 461.523 -0.732 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H]3C=C[C@H](C1)[NH2+]3)c(N)nc2=O ZINC001246213329 1069642984 /nfs/dbraw/zinc/64/29/84/1069642984.db2.gz YBSWNGBTJDKINM-YKUJZXIWSA-N 2 0 461.523 -0.732 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1CSC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246263131 1069643263 /nfs/dbraw/zinc/64/32/63/1069643263.db2.gz AOANBVNWSAQAKF-OLZOCXBDSA-N 2 0 451.553 -0.304 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1CSC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246263132 1069643186 /nfs/dbraw/zinc/64/31/86/1069643186.db2.gz AOANBVNWSAQAKF-STQMWFEESA-N 2 0 451.553 -0.304 20 0 JBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C[C@H]1C(=O)OC ZINC001246270365 1069644079 /nfs/dbraw/zinc/64/40/79/1069644079.db2.gz ANQMIIGRBJKRIV-VAMGGRTRSA-N 2 0 478.583 -0.251 20 0 JBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C[C@H]1C(=O)OC ZINC001246270384 1069643918 /nfs/dbraw/zinc/64/39/18/1069643918.db2.gz ANQMIIGRBJKRIV-XUVXKRRUSA-N 2 0 478.583 -0.251 20 0 JBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001246270557 1069643997 /nfs/dbraw/zinc/64/39/97/1069643997.db2.gz BEMZFLGJTSMKMX-IBGZPJMESA-N 2 0 486.628 -0.626 20 0 JBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001246270576 1069643977 /nfs/dbraw/zinc/64/39/77/1069643977.db2.gz BEMZFLGJTSMKMX-LJQANCHMSA-N 2 0 486.628 -0.626 20 0 JBADRP COC(=O)C1C[C@@H]2CC([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C[C@H](C1)[NH2+]2 ZINC001246271062 1069644061 /nfs/dbraw/zinc/64/40/61/1069644061.db2.gz DKWGUQNMXAJROB-ZAYGCWILSA-N 3 0 461.600 -0.310 20 0 JBADRP COC(=O)C1C[C@@H]2CC([NH2+]CCOCCOCCOCCOCCOCCO)C[C@H](C1)[NH2+]2 ZINC001246275320 1069644050 /nfs/dbraw/zinc/64/40/50/1069644050.db2.gz FGLNIVAKGLCHGU-ZAYGCWILSA-N 2 0 462.584 -0.277 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCN[C@@H]1CCCC[NH2+]C1 ZINC001246283476 1069644624 /nfs/dbraw/zinc/64/46/24/1069644624.db2.gz BGJJXPLIMYYPFO-JOCHJYFZSA-N 2 0 465.632 -0.207 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCN[C@H]1CCCC[NH2+]C1 ZINC001246283477 1069644573 /nfs/dbraw/zinc/64/45/73/1069644573.db2.gz BGJJXPLIMYYPFO-QFIPXVFZSA-N 2 0 465.632 -0.207 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+]C1CC[NH2+]CC1 ZINC001246284015 1069644589 /nfs/dbraw/zinc/64/45/89/1069644589.db2.gz CFWJMKKNTYLOMQ-UHFFFAOYSA-N 3 0 451.605 -0.597 20 0 JBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCOCCOCC[NH3+] ZINC001246284141 1069644652 /nfs/dbraw/zinc/64/46/52/1069644652.db2.gz HCGQYLNOBZMXOD-KRWDZBQOSA-N 2 0 454.572 -0.409 20 0 JBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCOCCOCC[NH3+] ZINC001246284187 1069644606 /nfs/dbraw/zinc/64/46/06/1069644606.db2.gz HCGQYLNOBZMXOD-QGZVFWFLSA-N 2 0 454.572 -0.409 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246284235 1069644641 /nfs/dbraw/zinc/64/46/41/1069644641.db2.gz CIERAQVWHOBYIW-JKHIJQBDSA-N 3 0 477.643 -0.351 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246284249 1069644600 /nfs/dbraw/zinc/64/46/00/1069644600.db2.gz CIERAQVWHOBYIW-NUNAXRQHSA-N 3 0 477.643 -0.351 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246284256 1069644634 /nfs/dbraw/zinc/64/46/34/1069644634.db2.gz CMNOELYUMZRKNL-AIZNXBIQSA-N 3 0 477.643 -0.066 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246284259 1069644551 /nfs/dbraw/zinc/64/45/51/1069644551.db2.gz CMNOELYUMZRKNL-JKHIJQBDSA-N 3 0 477.643 -0.066 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246284260 1069644612 /nfs/dbraw/zinc/64/46/12/1069644612.db2.gz CMNOELYUMZRKNL-NUNAXRQHSA-N 3 0 477.643 -0.066 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246286016 1069645285 /nfs/dbraw/zinc/64/52/85/1069645285.db2.gz HBJYXDMUUREKOU-JOCHJYFZSA-N 3 0 465.632 -0.207 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246286017 1069645389 /nfs/dbraw/zinc/64/53/89/1069645389.db2.gz HBJYXDMUUREKOU-QFIPXVFZSA-N 3 0 465.632 -0.207 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246286897 1069645320 /nfs/dbraw/zinc/64/53/20/1069645320.db2.gz ICGNBSSSYJNDHA-AIZNXBIQSA-N 3 0 475.627 -0.290 20 0 JBADRP C[NH2+]CC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001246288744 1069645252 /nfs/dbraw/zinc/64/52/52/1069645252.db2.gz MOFUMHROFZBTES-NRFANRHFSA-N 3 0 453.621 -0.351 20 0 JBADRP C[NH2+]CC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001246288747 1069645308 /nfs/dbraw/zinc/64/53/08/1069645308.db2.gz MOFUMHROFZBTES-OAQYLSRUSA-N 3 0 453.621 -0.351 20 0 JBADRP C[C@H]1C[C@@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288779 1069645381 /nfs/dbraw/zinc/64/53/81/1069645381.db2.gz MSOPHAQKWSATLZ-LEWJYISDSA-N 2 0 451.605 -0.599 20 0 JBADRP C[C@@H]1C[C@@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288780 1069645336 /nfs/dbraw/zinc/64/53/36/1069645336.db2.gz MSOPHAQKWSATLZ-NHCUHLMSSA-N 2 0 451.605 -0.599 20 0 JBADRP C[C@@H]1C[C@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288782 1069645303 /nfs/dbraw/zinc/64/53/03/1069645303.db2.gz MSOPHAQKWSATLZ-RTWAWAEBSA-N 2 0 451.605 -0.599 20 0 JBADRP C[C@H]1C[C@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288783 1069645364 /nfs/dbraw/zinc/64/53/64/1069645364.db2.gz MSOPHAQKWSATLZ-SFTDATJTSA-N 2 0 451.605 -0.599 20 0 JBADRP C[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289868 1069645357 /nfs/dbraw/zinc/64/53/57/1069645357.db2.gz NTZBFAFAWHUSSB-FCHUYYIVSA-N 3 0 465.632 -0.209 20 0 JBADRP C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289872 1069645330 /nfs/dbraw/zinc/64/53/30/1069645330.db2.gz NTZBFAFAWHUSSB-FGZHOGPDSA-N 3 0 465.632 -0.209 20 0 JBADRP C[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289875 1069645340 /nfs/dbraw/zinc/64/53/40/1069645340.db2.gz NTZBFAFAWHUSSB-VXKWHMMOSA-N 3 0 465.632 -0.209 20 0 JBADRP C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289877 1069645270 /nfs/dbraw/zinc/64/52/70/1069645270.db2.gz NTZBFAFAWHUSSB-YADHBBJMSA-N 3 0 465.632 -0.209 20 0 JBADRP C[C@H]1CC[C@@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289898 1069645374 /nfs/dbraw/zinc/64/53/74/1069645374.db2.gz OCFQJBNAPYIJTM-FCHUYYIVSA-N 2 0 465.632 -0.209 20 0 JBADRP C[C@@H]1CC[C@@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289900 1069645312 /nfs/dbraw/zinc/64/53/12/1069645312.db2.gz OCFQJBNAPYIJTM-FGZHOGPDSA-N 2 0 465.632 -0.209 20 0 JBADRP C[C@H]1CC[C@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289901 1069645346 /nfs/dbraw/zinc/64/53/46/1069645346.db2.gz OCFQJBNAPYIJTM-VXKWHMMOSA-N 2 0 465.632 -0.209 20 0 JBADRP C[C@@H]1CC[C@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289902 1069646240 /nfs/dbraw/zinc/64/62/40/1069646240.db2.gz OCFQJBNAPYIJTM-YADHBBJMSA-N 2 0 465.632 -0.209 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246289952 1069646024 /nfs/dbraw/zinc/64/60/24/1069646024.db2.gz PAWREWWSZIRWEI-JOCHJYFZSA-N 3 0 477.643 -0.207 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246289953 1069646321 /nfs/dbraw/zinc/64/63/21/1069646321.db2.gz PAWREWWSZIRWEI-QFIPXVFZSA-N 3 0 477.643 -0.207 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCN[C@H]1CCC[NH2+]C1 ZINC001246291050 1069646045 /nfs/dbraw/zinc/64/60/45/1069646045.db2.gz QEYRUDUFBXBSBA-NRFANRHFSA-N 2 0 451.605 -0.597 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCN[C@@H]1CCC[NH2+]C1 ZINC001246291052 1069646398 /nfs/dbraw/zinc/64/63/98/1069646398.db2.gz QEYRUDUFBXBSBA-OAQYLSRUSA-N 2 0 451.605 -0.597 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246295251 1069646251 /nfs/dbraw/zinc/64/62/51/1069646251.db2.gz YILGVSDHUUKQQQ-NRFANRHFSA-N 3 0 495.683 -0.502 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246295256 1069646223 /nfs/dbraw/zinc/64/62/23/1069646223.db2.gz YILGVSDHUUKQQQ-OAQYLSRUSA-N 3 0 495.683 -0.502 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246299135 1069646164 /nfs/dbraw/zinc/64/61/64/1069646164.db2.gz FRVIRXKCERPRMR-BZIXAJQCSA-N 2 0 472.491 -0.820 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCOC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246299145 1069646110 /nfs/dbraw/zinc/64/61/10/1069646110.db2.gz FRVIRXKCERPRMR-RFVXBFLTSA-N 2 0 472.491 -0.820 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246300073 1069646177 /nfs/dbraw/zinc/64/61/77/1069646177.db2.gz LLNMRXAXUVGBJM-XIQYMHTBSA-N 2 0 456.492 -0.343 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246300083 1069646298 /nfs/dbraw/zinc/64/62/98/1069646298.db2.gz LLNMRXAXUVGBJM-YMEGZWINSA-N 2 0 456.492 -0.343 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CSC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246300125 1069646260 /nfs/dbraw/zinc/64/62/60/1069646260.db2.gz LPHFADMCCOGAAT-DOQFWFFUSA-N 2 0 474.532 -0.493 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CSC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246300132 1069646350 /nfs/dbraw/zinc/64/63/50/1069646350.db2.gz LPHFADMCCOGAAT-MGYGNFHQSA-N 2 0 474.532 -0.493 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246300891 1069646143 /nfs/dbraw/zinc/64/61/43/1069646143.db2.gz PUMGSPSJOFYRET-BZIXAJQCSA-N 2 0 456.492 -0.199 20 0 JBADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246300893 1069646200 /nfs/dbraw/zinc/64/62/00/1069646200.db2.gz PUMGSPSJOFYRET-RFVXBFLTSA-N 2 0 456.492 -0.199 20 0 JBADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246339608 1069646965 /nfs/dbraw/zinc/64/69/65/1069646965.db2.gz QNVFYZUFKSWYLB-MIGBRYPXSA-N 2 0 485.541 -0.575 20 0 JBADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246339639 1069646839 /nfs/dbraw/zinc/64/68/39/1069646839.db2.gz QNVFYZUFKSWYLB-XGAGZNTDSA-N 2 0 485.541 -0.575 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)c2nonc21 ZINC001246339677 1069647019 /nfs/dbraw/zinc/64/70/19/1069647019.db2.gz GMARQZHBJJZCHU-OLZOCXBDSA-N 2 0 469.593 -0.498 20 0 JBADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)c2nonc21 ZINC001246339680 1069646993 /nfs/dbraw/zinc/64/69/93/1069646993.db2.gz GMARQZHBJJZCHU-STQMWFEESA-N 2 0 469.593 -0.498 20 0 JBADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246341004 1069647001 /nfs/dbraw/zinc/64/70/01/1069647001.db2.gz XHMIFOZAFFLVNU-MIGBRYPXSA-N 2 0 486.525 -0.148 20 0 JBADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246341005 1069646853 /nfs/dbraw/zinc/64/68/53/1069646853.db2.gz XHMIFOZAFFLVNU-XGAGZNTDSA-N 2 0 486.525 -0.148 20 0 JBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246342515 1069647822 /nfs/dbraw/zinc/64/78/22/1069647822.db2.gz ARTMYYDZHLNALE-RTWAWAEBSA-N 2 0 493.642 -0.294 20 0 JBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246342517 1069647774 /nfs/dbraw/zinc/64/77/74/1069647774.db2.gz ARTMYYDZHLNALE-SFTDATJTSA-N 2 0 493.642 -0.294 20 0 JBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246342588 1069647914 /nfs/dbraw/zinc/64/79/14/1069647914.db2.gz BVUWJYDYJWVVFC-RTWAWAEBSA-N 2 0 479.615 -0.682 20 0 JBADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246342589 1069647726 /nfs/dbraw/zinc/64/77/26/1069647726.db2.gz BVUWJYDYJWVVFC-SFTDATJTSA-N 2 0 479.615 -0.682 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246343053 1069647645 /nfs/dbraw/zinc/64/76/45/1069647645.db2.gz DTTLXEQPYWXIFP-UHFFFAOYSA-N 3 0 477.643 -0.065 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246346312 1069647740 /nfs/dbraw/zinc/64/77/40/1069647740.db2.gz RMVBPGFFBDCOEQ-IBGZPJMESA-N 3 0 451.630 -0.518 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246346322 1069647872 /nfs/dbraw/zinc/64/78/72/1069647872.db2.gz RMVBPGFFBDCOEQ-LJQANCHMSA-N 3 0 451.630 -0.518 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349220 1069647897 /nfs/dbraw/zinc/64/78/97/1069647897.db2.gz XEFNREOBPPXNEU-RTWAWAEBSA-N 2 0 479.615 -0.682 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349223 1069647840 /nfs/dbraw/zinc/64/78/40/1069647840.db2.gz XEFNREOBPPXNEU-SFTDATJTSA-N 2 0 479.615 -0.682 20 0 JBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349578 1069647601 /nfs/dbraw/zinc/64/76/01/1069647601.db2.gz ZHMMSRGCSPXTOM-IFMALSPDSA-N 2 0 479.615 -0.682 20 0 JBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349579 1069647882 /nfs/dbraw/zinc/64/78/82/1069647882.db2.gz ZHMMSRGCSPXTOM-IRLDBZIGSA-N 2 0 479.615 -0.682 20 0 JBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349580 1069647904 /nfs/dbraw/zinc/64/79/04/1069647904.db2.gz ZHMMSRGCSPXTOM-RBBKRZOGSA-N 2 0 479.615 -0.682 20 0 JBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349581 1069647799 /nfs/dbraw/zinc/64/77/99/1069647799.db2.gz ZHMMSRGCSPXTOM-UNMCSNQZSA-N 2 0 479.615 -0.682 20 0 JBADRP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246407693 1069648409 /nfs/dbraw/zinc/64/84/09/1069648409.db2.gz YOTHGEYAKJKFEG-IWFBPKFRSA-N 2 0 499.678 -0.028 20 0 JBADRP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246407695 1069648536 /nfs/dbraw/zinc/64/85/36/1069648536.db2.gz YOTHGEYAKJKFEG-JKBKZWBZSA-N 2 0 499.678 -0.028 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246468880 1069651207 /nfs/dbraw/zinc/65/12/07/1069651207.db2.gz LRZLBFDSBWNNKR-NRFANRHFSA-N 2 0 463.616 -0.584 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246468885 1069651362 /nfs/dbraw/zinc/65/13/62/1069651362.db2.gz LRZLBFDSBWNNKR-OAQYLSRUSA-N 2 0 463.616 -0.584 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246470841 1069651787 /nfs/dbraw/zinc/65/17/87/1069651787.db2.gz RYBYLDZGYNLKQU-NRFANRHFSA-N 2 0 464.600 -0.157 20 0 JBADRP COCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246470842 1069651682 /nfs/dbraw/zinc/65/16/82/1069651682.db2.gz RYBYLDZGYNLKQU-OAQYLSRUSA-N 2 0 464.600 -0.157 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(CC1)C[NH2+]CCO2)C(N)=O ZINC001246483046 1069651895 /nfs/dbraw/zinc/65/18/95/1069651895.db2.gz ADBKDJQXRABUFM-LTFGFYCNSA-N 3 0 494.681 -0.008 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2)C(N)=O ZINC001246483263 1069651881 /nfs/dbraw/zinc/65/18/81/1069651881.db2.gz CAUBKSFWWVIENR-ZESFZAIESA-N 2 0 466.627 -0.790 20 0 JBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246483284 1069651735 /nfs/dbraw/zinc/65/17/35/1069651735.db2.gz CDIAYILLOPBYKI-DQIRUUEWSA-N 2 0 496.653 -0.626 20 0 JBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246483292 1069652050 /nfs/dbraw/zinc/65/20/50/1069652050.db2.gz CDIAYILLOPBYKI-WLNKUXMVSA-N 2 0 496.653 -0.626 20 0 JBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246483295 1069651978 /nfs/dbraw/zinc/65/19/78/1069651978.db2.gz CDIAYILLOPBYKI-XTHUUODCSA-N 2 0 496.653 -0.626 20 0 JBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246483297 1069651767 /nfs/dbraw/zinc/65/17/67/1069651767.db2.gz CDIAYILLOPBYKI-YTEZWJELSA-N 2 0 496.653 -0.626 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246483847 1069651953 /nfs/dbraw/zinc/65/19/53/1069651953.db2.gz DITKZZUUHWHTJR-DEPCRRQNSA-N 2 0 496.653 -0.626 20 0 JBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246483850 1069652556 /nfs/dbraw/zinc/65/25/56/1069652556.db2.gz DITKZZUUHWHTJR-HVTWWXFQSA-N 2 0 496.653 -0.626 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC001246484277 1069652327 /nfs/dbraw/zinc/65/23/27/1069652327.db2.gz FPRMIYRBIQICBX-XGXHKTLJSA-N 3 0 450.628 -0.311 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC001246484278 1069652571 /nfs/dbraw/zinc/65/25/71/1069652571.db2.gz FPRMIYRBIQICBX-XSEPRYCASA-N 3 0 450.628 -0.311 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484327 1069652459 /nfs/dbraw/zinc/65/24/59/1069652459.db2.gz FWQALBGEFVGPQM-LKEQIHAESA-N 2 0 490.649 -0.073 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC2(C[NH2+]C2)C1)C(N)=O ZINC001246484392 1069652498 /nfs/dbraw/zinc/65/24/98/1069652498.db2.gz GJMNATVNEATXPS-VJANTYMQSA-N 3 0 450.628 -0.167 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC2(C[NH2+]C2)C1)C(N)=O ZINC001246484395 1069652448 /nfs/dbraw/zinc/65/24/48/1069652448.db2.gz GJMNATVNEATXPS-XWSJACJDSA-N 3 0 450.628 -0.167 20 0 JBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCN1 ZINC001246484505 1069652360 /nfs/dbraw/zinc/65/23/60/1069652360.db2.gz HPABMXRLHREUQQ-DEPCRRQNSA-N 2 0 496.653 -0.626 20 0 JBADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCN1 ZINC001246484508 1069652428 /nfs/dbraw/zinc/65/24/28/1069652428.db2.gz HPABMXRLHREUQQ-HVTWWXFQSA-N 2 0 496.653 -0.626 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246484794 1069652504 /nfs/dbraw/zinc/65/25/04/1069652504.db2.gz JCPCYDXHVAHCNV-GUZBNGIKSA-N 2 0 450.628 -0.026 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246484801 1069652471 /nfs/dbraw/zinc/65/24/71/1069652471.db2.gz JCPCYDXHVAHCNV-XGXHKTLJSA-N 2 0 450.628 -0.026 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246484802 1069652512 /nfs/dbraw/zinc/65/25/12/1069652512.db2.gz JCPCYDXHVAHCNV-XSEPRYCASA-N 2 0 450.628 -0.026 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CSC2(C[NH2+]C2)C1)C(N)=O ZINC001246485670 1069652538 /nfs/dbraw/zinc/65/25/38/1069652538.db2.gz MWOGEQUXMDOUJX-OWSLCNJRSA-N 3 0 468.668 -0.462 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CSC2(C[NH2+]C2)C1)C(N)=O ZINC001246485718 1069653166 /nfs/dbraw/zinc/65/31/66/1069653166.db2.gz MWOGEQUXMDOUJX-XSLAGTTESA-N 3 0 468.668 -0.462 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCOC2(C[NH2+]C2)C1)C(N)=O ZINC001246486897 1069653152 /nfs/dbraw/zinc/65/31/52/1069653152.db2.gz QJNSVIOOIGKICH-VJANTYMQSA-N 3 0 466.627 -0.788 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)C(N)=O ZINC001246486900 1069653174 /nfs/dbraw/zinc/65/31/74/1069653174.db2.gz QJNSVIOOIGKICH-XWSJACJDSA-N 3 0 466.627 -0.788 20 0 JBADRP C[NH2+]CC[C@@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246486976 1069653136 /nfs/dbraw/zinc/65/31/36/1069653136.db2.gz RYOCUYFKEGTPRW-GTAWCEEGSA-N 2 0 468.643 -0.134 20 0 JBADRP C[NH2+]CC[C@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246486979 1069653171 /nfs/dbraw/zinc/65/31/71/1069653171.db2.gz RYOCUYFKEGTPRW-LEAZDLGRSA-N 2 0 468.643 -0.134 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+]C1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246489774 1069653179 /nfs/dbraw/zinc/65/31/79/1069653179.db2.gz YFHWTUFWRLOCAE-UFYCRDLUSA-N 2 0 466.627 -0.380 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246489848 1069653143 /nfs/dbraw/zinc/65/31/43/1069653143.db2.gz YMQBELQFAJDEPH-WVYKEMLSSA-N 2 0 492.665 -0.134 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246489850 1069653188 /nfs/dbraw/zinc/65/31/88/1069653188.db2.gz YMQBELQFAJDEPH-ZCPXKWAGSA-N 2 0 492.665 -0.134 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246510668 1069653945 /nfs/dbraw/zinc/65/39/45/1069653945.db2.gz FWQALBGEFVGPQM-PRLMLPERSA-N 2 0 490.649 -0.073 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246512880 1069654661 /nfs/dbraw/zinc/65/46/61/1069654661.db2.gz GTUWZIJLXKPKRD-DZVNLGKHSA-N 2 0 498.625 -0.384 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246512882 1069654516 /nfs/dbraw/zinc/65/45/16/1069654516.db2.gz GTUWZIJLXKPKRD-PNKHAZJDSA-N 2 0 498.625 -0.384 20 0 JBADRP C[NH2+]CC[C@@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246513265 1069654376 /nfs/dbraw/zinc/65/43/76/1069654376.db2.gz RYOCUYFKEGTPRW-BTHPGYMESA-N 2 0 468.643 -0.134 20 0 JBADRP C[NH2+]CC[C@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246513266 1069654473 /nfs/dbraw/zinc/65/44/73/1069654473.db2.gz RYOCUYFKEGTPRW-FRYIKTPZSA-N 2 0 468.643 -0.134 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+]C1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246514041 1069654713 /nfs/dbraw/zinc/65/47/13/1069654713.db2.gz YFHWTUFWRLOCAE-SLFFLAALSA-N 2 0 466.627 -0.380 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246514069 1069654570 /nfs/dbraw/zinc/65/45/70/1069654570.db2.gz YMQBELQFAJDEPH-GFJXEVPCSA-N 2 0 492.665 -0.134 20 0 JBADRP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246514070 1069654632 /nfs/dbraw/zinc/65/46/32/1069654632.db2.gz YMQBELQFAJDEPH-REGVOWLASA-N 2 0 492.665 -0.134 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(c2ncccn2)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246514485 1069654606 /nfs/dbraw/zinc/65/46/06/1069654606.db2.gz NMMPAOLTRPCNNB-ROUUACIJSA-N 2 0 461.615 -0.056 20 0 JBADRP CCOC(=O)CN1CCC(NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CC1 ZINC001246515132 1069654591 /nfs/dbraw/zinc/65/45/91/1069654591.db2.gz OQHMVPPZWBHSQS-ROUUACIJSA-N 2 0 469.631 -0.488 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H](C)CC(=O)N1CCOCC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246516467 1069655558 /nfs/dbraw/zinc/65/55/58/1069655558.db2.gz WKBWTQIGOQBAFH-IKGGRYGDSA-N 2 0 455.604 -0.878 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H](C)CC(=O)N1CCOCC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246516468 1069655358 /nfs/dbraw/zinc/65/53/58/1069655358.db2.gz WKBWTQIGOQBAFH-ULQDDVLXSA-N 2 0 455.604 -0.878 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCC[C@@H](n2ncnn2)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246517332 1069655306 /nfs/dbraw/zinc/65/53/06/1069655306.db2.gz BRUASNVBEQNKMV-NCOADZHNSA-N 2 0 450.592 -0.345 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCC[C@H](n2ncnn2)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246517351 1069655339 /nfs/dbraw/zinc/65/53/39/1069655339.db2.gz BRUASNVBEQNKMV-QAETUUGQSA-N 2 0 450.592 -0.345 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCC[C@H](n2ncnn2)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246517353 1069655499 /nfs/dbraw/zinc/65/54/99/1069655499.db2.gz BRUASNVBEQNKMV-QZWWFDLISA-N 2 0 450.592 -0.345 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCC[C@@H](n2ncnn2)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246517356 1069655329 /nfs/dbraw/zinc/65/53/29/1069655329.db2.gz BRUASNVBEQNKMV-YVSFHVDLSA-N 2 0 450.592 -0.345 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCC(S(C)(=O)=O)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246517976 1069655466 /nfs/dbraw/zinc/65/54/66/1069655466.db2.gz DHCMSWIDYVUUCG-GQGLESIBSA-N 2 0 460.645 -0.159 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246519879 1069655568 /nfs/dbraw/zinc/65/55/68/1069655568.db2.gz LHSABWQORRLMCP-KSWRQPAISA-N 2 0 484.598 -0.774 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246519880 1069655436 /nfs/dbraw/zinc/65/54/36/1069655436.db2.gz LHSABWQORRLMCP-QEOTZNIISA-N 2 0 484.598 -0.774 20 0 JBADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CC[NH+](CCCOC)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246522582 1069655509 /nfs/dbraw/zinc/65/55/09/1069655509.db2.gz NYEWGMNBWHFRBO-OALUTQOASA-N 3 0 455.648 -0.014 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246698729 1069657323 /nfs/dbraw/zinc/65/73/23/1069657323.db2.gz CUXFAJFWDHHRIV-OPYAIIAOSA-N 2 0 455.625 -0.945 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246698746 1069657230 /nfs/dbraw/zinc/65/72/30/1069657230.db2.gz CUXFAJFWDHHRIV-UEXGIBASSA-N 2 0 455.625 -0.945 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@@H]3CCOC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246700172 1069657365 /nfs/dbraw/zinc/65/73/65/1069657365.db2.gz GGESGNFOYYOKCE-OPYAIIAOSA-N 2 0 456.609 -0.518 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@H]3CCOC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246700184 1069657154 /nfs/dbraw/zinc/65/71/54/1069657154.db2.gz GGESGNFOYYOKCE-UEXGIBASSA-N 2 0 456.609 -0.518 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@H]3CSC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246707585 1069658180 /nfs/dbraw/zinc/65/81/80/1069658180.db2.gz ZHXBNTLDJZRKIP-HLIPFELVSA-N 2 0 458.650 -0.191 20 0 JBADRP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@@H]3CSC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246707586 1069658115 /nfs/dbraw/zinc/65/81/15/1069658115.db2.gz ZHXBNTLDJZRKIP-QKLQHJQFSA-N 2 0 458.650 -0.191 20 0 JBADRP O=C([C@@H]1C[C@@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C[NH2+]1)N1CCSC1 ZINC001246728658 1069658974 /nfs/dbraw/zinc/65/89/74/1069658974.db2.gz UDWHZSBBFPKHFX-VSZNYVQBSA-N 2 0 478.644 -0.387 20 0 JBADRP O=C([C@@H]1C[C@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C[NH2+]1)N1CCSC1 ZINC001246728664 1069658810 /nfs/dbraw/zinc/65/88/10/1069658810.db2.gz UDWHZSBBFPKHFX-XLAORIBOSA-N 2 0 478.644 -0.387 20 0 JBADRP COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@H]4CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]4CC3)C[C@H](C1)[NH2+]2 ZINC001246762281 1069660416 /nfs/dbraw/zinc/66/04/16/1069660416.db2.gz YPRDWXJBRUPWLU-HUWXZWHESA-N 2 0 456.609 -0.127 20 0 JBADRP O=C([C@@H]1C[C@@H](N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]1)N1CCSC1 ZINC001246915070 1069662664 /nfs/dbraw/zinc/66/26/64/1069662664.db2.gz FODOXTWLFIBVII-MHORFTMASA-N 2 0 472.606 -0.535 20 0 JBADRP O=C([C@@H]1C[C@H](N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]1)N1CCSC1 ZINC001246915127 1069662748 /nfs/dbraw/zinc/66/27/48/1069662748.db2.gz FODOXTWLFIBVII-XSLAGTTESA-N 2 0 472.606 -0.535 20 0 JBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925493 1069662558 /nfs/dbraw/zinc/66/25/58/1069662558.db2.gz NBFKCMORMGBFOM-INIZCTEOSA-N 3 0 450.588 -0.892 20 0 JBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925501 1069662740 /nfs/dbraw/zinc/66/27/40/1069662740.db2.gz NBFKCMORMGBFOM-MRXNPFEDSA-N 3 0 450.588 -0.892 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)C(=O)CF ZINC001249192051 1069669818 /nfs/dbraw/zinc/66/98/18/1069669818.db2.gz YKXCEYAXRLAOGV-UVIMBBFXSA-N 2 0 475.525 -0.169 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC(F)(F)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254216986 1069705163 /nfs/dbraw/zinc/70/51/63/1069705163.db2.gz OTUDHPFZJXALDU-HOTGVXAUSA-N 2 0 457.526 -0.281 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCCOC1 ZINC001254367596 1069706929 /nfs/dbraw/zinc/70/69/29/1069706929.db2.gz JWGHFHZGACNIPM-NRFANRHFSA-N 2 0 452.589 -0.170 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCCOC1 ZINC001254367597 1069707120 /nfs/dbraw/zinc/70/71/20/1069707120.db2.gz JWGHFHZGACNIPM-OAQYLSRUSA-N 2 0 452.589 -0.170 20 0 JBADRP CCOC(=O)CN1CCC([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001254396974 1069706890 /nfs/dbraw/zinc/70/68/90/1069706890.db2.gz BEXAXRRXLSIDCV-UHFFFAOYSA-N 2 0 493.642 -0.338 20 0 JBADRP CCOC(=O)CN1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001254402232 1069707028 /nfs/dbraw/zinc/70/70/28/1069707028.db2.gz QVTWXEJPVMTQQN-PMACEKPBSA-N 2 0 489.621 -0.552 20 0 JBADRP CC(=O)N1CCC([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001254418270 1069707869 /nfs/dbraw/zinc/70/78/69/1069707869.db2.gz SGPZIBSBPPCEPJ-UHFFFAOYSA-N 2 0 493.642 -0.338 20 0 JBADRP CC(=O)N1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001254422076 1069707732 /nfs/dbraw/zinc/70/77/32/1069707732.db2.gz DCTPWCLRWZWBIK-UFYCRDLUSA-N 2 0 466.627 -0.298 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@H+](C)CC1)c(N)nc2=O ZINC001254502605 1069707767 /nfs/dbraw/zinc/70/77/67/1069707767.db2.gz HELJPCFMCIRKKD-HRCADAONSA-N 2 0 465.555 -0.307 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@H+](C)CC1)c(N)nc2=O ZINC001254502606 1069707662 /nfs/dbraw/zinc/70/76/62/1069707662.db2.gz HELJPCFMCIRKKD-JYJNAYRXSA-N 2 0 465.555 -0.307 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@H+](C)CC1)c(N)nc2=O ZINC001254502607 1069707885 /nfs/dbraw/zinc/70/78/85/1069707885.db2.gz HELJPCFMCIRKKD-OWCLPIDISA-N 2 0 465.555 -0.307 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@H+](C)CC1)c(N)nc2=O ZINC001254502608 1069708752 /nfs/dbraw/zinc/70/87/52/1069708752.db2.gz HELJPCFMCIRKKD-PMPSAXMXSA-N 2 0 465.555 -0.307 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC3CC[NH+](CC3)C1)c(N)nc2=O ZINC001254839571 1069710194 /nfs/dbraw/zinc/71/01/94/1069710194.db2.gz SWDRMKMEGMHRJN-IKGGRYGDSA-N 2 0 477.566 -0.307 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC3CC[NH+](CC3)C1)c(N)nc2=O ZINC001254839572 1069710332 /nfs/dbraw/zinc/71/03/32/1069710332.db2.gz SWDRMKMEGMHRJN-IXDOHACOSA-N 2 0 477.566 -0.307 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC3CC[NH+](CC3)C1)c(N)nc2=O ZINC001254839573 1069710357 /nfs/dbraw/zinc/71/03/57/1069710357.db2.gz SWDRMKMEGMHRJN-ULQDDVLXSA-N 2 0 477.566 -0.307 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC3CC[NH+](CC3)C1)c(N)nc2=O ZINC001254839574 1069710372 /nfs/dbraw/zinc/71/03/72/1069710372.db2.gz SWDRMKMEGMHRJN-YESZJQIVSA-N 2 0 477.566 -0.307 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2Cc3ccccc3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255019053 1069711986 /nfs/dbraw/zinc/71/19/86/1069711986.db2.gz KHHQISJMLQZLGM-PMACEKPBSA-N 2 0 455.563 -0.692 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+]C1CCOCC1 ZINC001255033595 1069712077 /nfs/dbraw/zinc/71/20/77/1069712077.db2.gz ONDKRUDRTKCTLV-UHFFFAOYSA-N 2 0 452.589 -0.170 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255109536 1069711754 /nfs/dbraw/zinc/71/17/54/1069711754.db2.gz TUXWABLTIDQUII-FKBYEOEOSA-N 3 0 498.632 -0.585 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255109539 1069712180 /nfs/dbraw/zinc/71/21/80/1069712180.db2.gz TUXWABLTIDQUII-FSSWDIPSSA-N 3 0 498.632 -0.585 20 0 JBADRP CCOC(=O)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001255258146 1069713033 /nfs/dbraw/zinc/71/30/33/1069713033.db2.gz KXAUSNCCKISCIK-FYOYPEGLSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358623 1069714131 /nfs/dbraw/zinc/71/41/31/1069714131.db2.gz XRGUMKFHRDYHNU-BVBHFADKSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358846 1069714036 /nfs/dbraw/zinc/71/40/36/1069714036.db2.gz XRGUMKFHRDYHNU-NQYYFHDYSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358847 1069713648 /nfs/dbraw/zinc/71/36/48/1069713648.db2.gz XRGUMKFHRDYHNU-WNHJNPCNSA-N 2 0 493.609 -0.737 20 0 JBADRP CCOC(=O)[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358848 1069714073 /nfs/dbraw/zinc/71/40/73/1069714073.db2.gz XRGUMKFHRDYHNU-YSHGAJCASA-N 2 0 493.609 -0.737 20 0 JBADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255387953 1069713836 /nfs/dbraw/zinc/71/38/36/1069713836.db2.gz WESOILWJBFSOGW-GADAEZOWSA-N 2 0 469.546 -0.020 20 0 JBADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255387954 1069713886 /nfs/dbraw/zinc/71/38/86/1069713886.db2.gz WESOILWJBFSOGW-IAYKURSESA-N 2 0 469.546 -0.020 20 0 JBADRP CN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001255419429 1069714067 /nfs/dbraw/zinc/71/40/67/1069714067.db2.gz BWDXEBHDRFBDHO-NRFANRHFSA-N 2 0 451.605 -0.645 20 0 JBADRP CN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001255419433 1069713959 /nfs/dbraw/zinc/71/39/59/1069713959.db2.gz BWDXEBHDRFBDHO-OAQYLSRUSA-N 2 0 451.605 -0.645 20 0 JBADRP COC1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001255455753 1069714092 /nfs/dbraw/zinc/71/40/92/1069714092.db2.gz MJEQWUSHWSYBJM-FOIPXRHGSA-N 2 0 451.572 -0.902 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@H+](C)C1)c(N)nc2=O ZINC001255469067 1069713972 /nfs/dbraw/zinc/71/39/72/1069713972.db2.gz AJUKFMOPZCNKFF-ILXRZTDVSA-N 2 0 451.528 -0.697 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@H+](C)C1)c(N)nc2=O ZINC001255469075 1069713691 /nfs/dbraw/zinc/71/36/91/1069713691.db2.gz AJUKFMOPZCNKFF-KKUMJFAQSA-N 2 0 451.528 -0.697 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@H+](C)C1)c(N)nc2=O ZINC001255469076 1069714661 /nfs/dbraw/zinc/71/46/61/1069714661.db2.gz AJUKFMOPZCNKFF-QLFBSQMISA-N 2 0 451.528 -0.697 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@H+](C)C1)c(N)nc2=O ZINC001255469077 1069714897 /nfs/dbraw/zinc/71/48/97/1069714897.db2.gz AJUKFMOPZCNKFF-SOUVJXGZSA-N 2 0 451.528 -0.697 20 0 JBADRP CN1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001255471944 1069715117 /nfs/dbraw/zinc/71/51/17/1069715117.db2.gz KQSVUAGBKFWJRZ-JOCHJYFZSA-N 2 0 465.632 -0.255 20 0 JBADRP CN1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001255471945 1069714748 /nfs/dbraw/zinc/71/47/48/1069714748.db2.gz KQSVUAGBKFWJRZ-QFIPXVFZSA-N 2 0 465.632 -0.255 20 0 JBADRP CC1(C)C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001255534422 1069714803 /nfs/dbraw/zinc/71/48/03/1069714803.db2.gz DOQCMZYYUCWANJ-IKGGRYGDSA-N 2 0 451.572 -0.902 20 0 JBADRP CC1(C)C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001255534424 1069715001 /nfs/dbraw/zinc/71/50/01/1069715001.db2.gz DOQCMZYYUCWANJ-ULQDDVLXSA-N 2 0 451.572 -0.902 20 0 JBADRP C[C@H](Cc1ccccc1F)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255842854 1069715955 /nfs/dbraw/zinc/71/59/55/1069715955.db2.gz YZFBTIBGMIEFMZ-XPGWFJOJSA-N 2 0 475.569 -0.089 20 0 JBADRP C[C@@H](Cc1ccccc1F)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255842855 1069715687 /nfs/dbraw/zinc/71/56/87/1069715687.db2.gz YZFBTIBGMIEFMZ-YSSFQJQWSA-N 2 0 475.569 -0.089 20 0 JBADRP C[C@H](Cc1ccc(F)cc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255865988 1069715570 /nfs/dbraw/zinc/71/55/70/1069715570.db2.gz HKMZVADDDBZLKK-XPGWFJOJSA-N 2 0 475.569 -0.089 20 0 JBADRP C[C@@H](Cc1ccc(F)cc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255865989 1069715860 /nfs/dbraw/zinc/71/58/60/1069715860.db2.gz HKMZVADDDBZLKK-YSSFQJQWSA-N 2 0 475.569 -0.089 20 0 JBADRP CC[NH+](CC)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255955402 1069716731 /nfs/dbraw/zinc/71/67/31/1069716731.db2.gz SECCUGHSLNPUMA-NEWSRXKRSA-N 3 0 466.631 -0.739 20 0 JBADRP CC[NH+](CC)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255955403 1069716419 /nfs/dbraw/zinc/71/64/19/1069716419.db2.gz SECCUGHSLNPUMA-WDSOQIARSA-N 3 0 466.631 -0.739 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(C(=O)C(F)(F)F)CC1 ZINC001255979846 1069716683 /nfs/dbraw/zinc/71/66/83/1069716683.db2.gz FBBYJOAHBOAAIX-IRXDYDNUSA-N 2 0 499.538 -0.026 20 0 JBADRP CCOC(=O)N1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001256023045 1069717489 /nfs/dbraw/zinc/71/74/89/1069717489.db2.gz QQTNYECMVFYRHJ-FQEVSTJZSA-N 2 0 465.588 -0.135 20 0 JBADRP CCOC(=O)N1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001256023046 1069717266 /nfs/dbraw/zinc/71/72/66/1069717266.db2.gz QQTNYECMVFYRHJ-HXUWFJFHSA-N 2 0 465.588 -0.135 20 0 JBADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001256026144 1069717746 /nfs/dbraw/zinc/71/77/46/1069717746.db2.gz TWMFUDOURVNNLV-VJANTYMQSA-N 2 0 482.626 -0.079 20 0 JBADRP CCOC(=O)N1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001256026153 1069717789 /nfs/dbraw/zinc/71/77/89/1069717789.db2.gz TWMFUDOURVNNLV-XWSJACJDSA-N 2 0 482.626 -0.079 20 0 JBADRP CCOC(=O)N1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001256028137 1069717509 /nfs/dbraw/zinc/71/75/09/1069717509.db2.gz WOKOJJYZWAPRPE-BZSNNMDCSA-N 2 0 461.567 -0.349 20 0 JBADRP CCOC(=O)N1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001256028138 1069717722 /nfs/dbraw/zinc/71/77/22/1069717722.db2.gz WOKOJJYZWAPRPE-SQNIBIBYSA-N 2 0 461.567 -0.349 20 0 JBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(c2ncccn2)CC1 ZINC001256055914 1069717543 /nfs/dbraw/zinc/71/75/43/1069717543.db2.gz IFZMDJCTKJXEPE-PMACEKPBSA-N 2 0 481.605 -0.120 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CC[NH+](C3CC3)CC1)c(N)nc2=O ZINC001256068159 1069717659 /nfs/dbraw/zinc/71/76/59/1069717659.db2.gz YVOLPKZFAVNQEB-DLBZAZTESA-N 2 0 477.566 -0.164 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CC[NH+](C3CC3)CC1)c(N)nc2=O ZINC001256068160 1069717424 /nfs/dbraw/zinc/71/74/24/1069717424.db2.gz YVOLPKZFAVNQEB-IRXDYDNUSA-N 2 0 477.566 -0.164 20 0 JBADRP COc1cccc(C[C@@H](C)n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001256156254 1069718257 /nfs/dbraw/zinc/71/82/57/1069718257.db2.gz MCUGPANDIALHPI-CZAAIQMYSA-N 2 0 487.605 -0.220 20 0 JBADRP COc1cccc(C[C@H](C)n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001256156269 1069718615 /nfs/dbraw/zinc/71/86/15/1069718615.db2.gz MCUGPANDIALHPI-NDXORKPFSA-N 2 0 487.605 -0.220 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CC[NH+](C)CC1)c(N)nc2=O ZINC001256195315 1069718627 /nfs/dbraw/zinc/71/86/27/1069718627.db2.gz LNBWCZGTGKSWLP-GJZGRUSLSA-N 2 0 451.528 -0.697 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CC[NH+](C)CC1)c(N)nc2=O ZINC001256195316 1069718579 /nfs/dbraw/zinc/71/85/79/1069718579.db2.gz LNBWCZGTGKSWLP-LSDHHAIUSA-N 2 0 451.528 -0.697 20 0 JBADRP CN1CCC([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001256197692 1069718153 /nfs/dbraw/zinc/71/81/53/1069718153.db2.gz PGPVUAITMXNCBL-UHFFFAOYSA-N 2 0 465.632 -0.255 20 0 JBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001256328674 1069720192 /nfs/dbraw/zinc/72/01/92/1069720192.db2.gz QKCVCNSBEYFXPP-NRFANRHFSA-N 2 0 479.615 -0.728 20 0 JBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001256328675 1069720013 /nfs/dbraw/zinc/72/00/13/1069720013.db2.gz QKCVCNSBEYFXPP-OAQYLSRUSA-N 2 0 479.615 -0.728 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256333660 1069719978 /nfs/dbraw/zinc/71/99/78/1069719978.db2.gz LXLRWXNAJMAMEQ-IWFBPKFRSA-N 2 0 496.653 -0.672 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256333661 1069720176 /nfs/dbraw/zinc/72/01/76/1069720176.db2.gz LXLRWXNAJMAMEQ-JKBKZWBZSA-N 2 0 496.653 -0.672 20 0 JBADRP C[C@H](CC(=O)N1CCOCC1)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001256336043 1069720982 /nfs/dbraw/zinc/72/09/82/1069720982.db2.gz VETVJEBZLKMSCD-NEWSRXKRSA-N 2 0 475.594 -0.942 20 0 JBADRP C[C@@H](CC(=O)N1CCOCC1)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001256336050 1069721024 /nfs/dbraw/zinc/72/10/24/1069721024.db2.gz VETVJEBZLKMSCD-WDSOQIARSA-N 2 0 475.594 -0.942 20 0 JBADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+]C1CCS(=O)(=O)CC1 ZINC001256379921 1069721531 /nfs/dbraw/zinc/72/15/31/1069721531.db2.gz DZLKPLHJPGOCHB-UHFFFAOYSA-N 2 0 456.602 -0.789 20 0 JBADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1CCS(=O)(=O)CC1)C(N)=O ZINC001256384060 1069721894 /nfs/dbraw/zinc/72/18/94/1069721894.db2.gz SLOPJZFRCOJHIU-BZSNNMDCSA-N 2 0 473.640 -0.732 20 0 JBADRP C[C@H](Cc1ccccn1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256408667 1069721593 /nfs/dbraw/zinc/72/15/93/1069721593.db2.gz BPQKMVPAMABEII-MNEFBYGVSA-N 2 0 458.567 -0.833 20 0 JBADRP C[C@@H](Cc1ccccn1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256408669 1069721621 /nfs/dbraw/zinc/72/16/21/1069721621.db2.gz BPQKMVPAMABEII-SNRMKQJTSA-N 2 0 458.567 -0.833 20 0 JBADRP CCOC1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256437043 1069721549 /nfs/dbraw/zinc/72/15/49/1069721549.db2.gz MUJLDQFJACDTLZ-BTRQGYIVSA-N 2 0 465.599 -0.512 20 0 JBADRP C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC001256527150 1069722901 /nfs/dbraw/zinc/72/29/01/1069722901.db2.gz QNYJKQDVBGDCIG-KELMJVFSSA-N 2 0 469.546 -0.021 20 0 JBADRP C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC001256527151 1069722593 /nfs/dbraw/zinc/72/25/93/1069722593.db2.gz QNYJKQDVBGDCIG-VRNCYRRXSA-N 2 0 469.546 -0.021 20 0 JBADRP C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC001256527152 1069722352 /nfs/dbraw/zinc/72/23/52/1069722352.db2.gz QNYJKQDVBGDCIG-VVYRCICSSA-N 2 0 469.546 -0.021 20 0 JBADRP C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC001256527153 1069722743 /nfs/dbraw/zinc/72/27/43/1069722743.db2.gz QNYJKQDVBGDCIG-YXPFNAKDSA-N 2 0 469.546 -0.021 20 0 JBADRP CC(C)(C)[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256569237 1069722677 /nfs/dbraw/zinc/72/26/77/1069722677.db2.gz WSCIWLINKQYQSD-OALUTQOASA-N 3 0 478.642 -0.596 20 0 JBADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256598420 1069722448 /nfs/dbraw/zinc/72/24/48/1069722448.db2.gz YJUFVXMELWDJPJ-BZSOYRFXSA-N 2 0 455.519 -0.410 20 0 JBADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(N)nc2=O ZINC001256615061 1069722860 /nfs/dbraw/zinc/72/28/60/1069722860.db2.gz SSEGUUGIPDKAHP-ALILYOIUSA-N 2 0 477.566 -0.166 20 0 JBADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(N)nc2=O ZINC001256615062 1069722699 /nfs/dbraw/zinc/72/26/99/1069722699.db2.gz SSEGUUGIPDKAHP-BFZKSOEOSA-N 2 0 477.566 -0.166 20 0 JBADRP COc1cccc2c1CC[C@@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001256643630 1069722660 /nfs/dbraw/zinc/72/26/60/1069722660.db2.gz OYYBBNKQPWIJDJ-GIVPXCGWSA-N 2 0 499.616 -0.293 20 0 JBADRP COc1cccc2c1CC[C@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001256643631 1069722480 /nfs/dbraw/zinc/72/24/80/1069722480.db2.gz OYYBBNKQPWIJDJ-JBACZVJFSA-N 2 0 499.616 -0.293 20 0 JBADRP C[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256689130 1069723449 /nfs/dbraw/zinc/72/34/49/1069723449.db2.gz PSNBDQNRKMWICY-IDVGRALLSA-N 2 0 475.590 -0.358 20 0 JBADRP C[C@H](Cc1ccncc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256734268 1069723224 /nfs/dbraw/zinc/72/32/24/1069723224.db2.gz WJYHEEADDQSVHO-MNEFBYGVSA-N 2 0 458.567 -0.833 20 0 JBADRP C[C@@H](Cc1ccncc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256734269 1069723631 /nfs/dbraw/zinc/72/36/31/1069723631.db2.gz WJYHEEADDQSVHO-SNRMKQJTSA-N 2 0 458.567 -0.833 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCN(c3cc[nH+]cc3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256855491 1069723366 /nfs/dbraw/zinc/72/33/66/1069723366.db2.gz MWPGIPYCALFTFC-SFTDATJTSA-N 3 0 499.620 -0.795 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256911704 1069723268 /nfs/dbraw/zinc/72/32/68/1069723268.db2.gz SHOINPGNZFVPLH-ACRUOGEOSA-N 3 0 490.653 -0.452 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256911705 1069723659 /nfs/dbraw/zinc/72/36/59/1069723659.db2.gz SHOINPGNZFVPLH-HKBOAZHASA-N 3 0 490.653 -0.452 20 0 JBADRP COC(=O)CC1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256982183 1069723467 /nfs/dbraw/zinc/72/34/67/1069723467.db2.gz QXGLYQUHCWEHID-FYOYPEGLSA-N 2 0 493.609 -0.737 20 0 JBADRP 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)O1 ZINC001257086281 1069724716 /nfs/dbraw/zinc/72/47/16/1069724716.db2.gz HFXMLJGPKHQWRF-KNCCTNLNSA-N 2 0 451.572 -0.903 20 0 JBADRP 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)O1 ZINC001257086289 1069724639 /nfs/dbraw/zinc/72/46/39/1069724639.db2.gz HFXMLJGPKHQWRF-USJZOSNVSA-N 2 0 451.572 -0.903 20 0 JBADRP 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)O1 ZINC001257086291 1069724798 /nfs/dbraw/zinc/72/47/98/1069724798.db2.gz HFXMLJGPKHQWRF-YFUQURRKSA-N 2 0 451.572 -0.903 20 0 JBADRP CC(C)[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001257213709 1069725378 /nfs/dbraw/zinc/72/53/78/1069725378.db2.gz SVSGXNQAHUEAMF-OALUTQOASA-N 3 0 464.615 -0.987 20 0 JBADRP CS(=O)(=O)N1CCC([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001257229851 1069725556 /nfs/dbraw/zinc/72/55/56/1069725556.db2.gz OZTUJQTZYGGWNK-UHFFFAOYSA-N 2 0 485.644 -0.942 20 0 JBADRP CCCCOC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257392429 1069726286 /nfs/dbraw/zinc/72/62/86/1069726286.db2.gz XVJQNCZXGZQTGL-NEWSRXKRSA-N 2 0 495.625 -0.347 20 0 JBADRP CCCCOC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257392430 1069726228 /nfs/dbraw/zinc/72/62/28/1069726228.db2.gz XVJQNCZXGZQTGL-WDSOQIARSA-N 2 0 495.625 -0.347 20 0 JBADRP CC(C)OC1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001257877628 1069729984 /nfs/dbraw/zinc/72/99/84/1069729984.db2.gz RJQFQGWWJRJKQN-GUMHCPJTSA-N 2 0 479.626 -0.123 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(COC3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001257905102 1069729683 /nfs/dbraw/zinc/72/96/83/1069729683.db2.gz VVAOIWBHYUQTHA-ROUUACIJSA-N 2 0 463.583 -0.900 20 0 JBADRP CC(C)C[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001258011066 1069731397 /nfs/dbraw/zinc/73/13/97/1069731397.db2.gz ICBSWYLWSIIIFG-PMACEKPBSA-N 3 0 478.642 -0.739 20 0 JBADRP CCOC(=O)CCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258115561 1069732433 /nfs/dbraw/zinc/73/24/33/1069732433.db2.gz LHMALNWZOYVOFE-NJAFHUGGSA-N 2 0 481.598 -0.737 20 0 JBADRP CCOC(=O)CCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258115562 1069732203 /nfs/dbraw/zinc/73/22/03/1069732203.db2.gz LHMALNWZOYVOFE-SZMVWBNQSA-N 2 0 481.598 -0.737 20 0 JBADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258134999 1069731847 /nfs/dbraw/zinc/73/18/47/1069731847.db2.gz DGSRRLHYZFJABD-VALFRTSSSA-N 2 0 469.546 -0.367 20 0 JBADRP COC(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001258352427 1069732420 /nfs/dbraw/zinc/73/24/20/1069732420.db2.gz FGMRVQKSRDHOML-NRFANRHFSA-N 2 0 482.615 -0.007 20 0 JBADRP COC(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+] ZINC001258352429 1069732865 /nfs/dbraw/zinc/73/28/65/1069732865.db2.gz FGMRVQKSRDHOML-OAQYLSRUSA-N 2 0 482.615 -0.007 20 0 JBADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCN(c3ccccc3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001258510097 1069733827 /nfs/dbraw/zinc/73/38/27/1069733827.db2.gz UZSAVDFQIJJGEQ-VXKWHMMOSA-N 2 0 498.632 -0.190 20 0 JBADRP C[C@H](Cc1cccnc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258620131 1069734762 /nfs/dbraw/zinc/73/47/62/1069734762.db2.gz DMNTVBMDJPNJPK-MNEFBYGVSA-N 2 0 458.567 -0.833 20 0 JBADRP C[C@@H](Cc1cccnc1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258620132 1069734910 /nfs/dbraw/zinc/73/49/10/1069734910.db2.gz DMNTVBMDJPNJPK-SNRMKQJTSA-N 2 0 458.567 -0.833 20 0 JBADRP CCC[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001258771624 1069735066 /nfs/dbraw/zinc/73/50/66/1069735066.db2.gz MAGPFYDLOZHOFS-OALUTQOASA-N 3 0 464.615 -0.985 20 0 JBADRP COc1ccccc1C[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258886223 1069735712 /nfs/dbraw/zinc/73/57/12/1069735712.db2.gz GVCDCELNBFYUOC-UXPWSPDFSA-N 2 0 487.605 -0.220 20 0 JBADRP COc1ccccc1C[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258886224 1069735585 /nfs/dbraw/zinc/73/55/85/1069735585.db2.gz GVCDCELNBFYUOC-VDGAXYAQSA-N 2 0 487.605 -0.220 20 0 JBADRP CC[NH+](CC)CCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258908416 1069735626 /nfs/dbraw/zinc/73/56/26/1069735626.db2.gz ZFSZRGYXPLGWMI-HOJAQTOUSA-N 3 0 480.658 -0.349 20 0 JBADRP CC[NH+](CC)CCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258908417 1069735911 /nfs/dbraw/zinc/73/59/11/1069735911.db2.gz ZFSZRGYXPLGWMI-IHPCNDPISA-N 3 0 480.658 -0.349 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001288855982 1069890248 /nfs/dbraw/zinc/89/02/48/1069890248.db2.gz JYBGRFXCHGMMQQ-GOSISDBHSA-N 2 0 482.655 -0.272 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001288855983 1069889937 /nfs/dbraw/zinc/88/99/37/1069889937.db2.gz JYBGRFXCHGMMQQ-SFHVURJKSA-N 2 0 482.655 -0.272 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869673 1069902828 /nfs/dbraw/zinc/90/28/28/1069902828.db2.gz JKZRGGUYXAIIMX-MOPGFXCFSA-N 2 0 499.682 -0.106 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869674 1069902801 /nfs/dbraw/zinc/90/28/01/1069902801.db2.gz JKZRGGUYXAIIMX-OALUTQOASA-N 2 0 499.682 -0.106 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869675 1069902925 /nfs/dbraw/zinc/90/29/25/1069902925.db2.gz JKZRGGUYXAIIMX-RBUKOAKNSA-N 2 0 499.682 -0.106 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869676 1069903005 /nfs/dbraw/zinc/90/30/05/1069903005.db2.gz JKZRGGUYXAIIMX-RTBURBONSA-N 2 0 499.682 -0.106 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296161063 1069997329 /nfs/dbraw/zinc/99/73/29/1069997329.db2.gz QOJWGZBYQFQCCP-AABGKKOBSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296161068 1069997170 /nfs/dbraw/zinc/99/71/70/1069997170.db2.gz QOJWGZBYQFQCCP-AQNXPRMDSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296161071 1069997137 /nfs/dbraw/zinc/99/71/37/1069997137.db2.gz QOJWGZBYQFQCCP-UFYCRDLUSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296161073 1069997215 /nfs/dbraw/zinc/99/72/15/1069997215.db2.gz QOJWGZBYQFQCCP-ZCNNSNEGSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296162181 1069997119 /nfs/dbraw/zinc/99/71/19/1069997119.db2.gz SXTXDYVQUNQQOO-AZUAARDMSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296162182 1069997051 /nfs/dbraw/zinc/99/70/51/1069997051.db2.gz SXTXDYVQUNQQOO-ICSRJNTNSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296162183 1069997256 /nfs/dbraw/zinc/99/72/56/1069997256.db2.gz SXTXDYVQUNQQOO-QUCCMNQESA-N 2 0 499.682 -0.012 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296162184 1069997202 /nfs/dbraw/zinc/99/72/02/1069997202.db2.gz SXTXDYVQUNQQOO-UYAOXDASSA-N 2 0 499.682 -0.012 20 0 JBADRP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001298088727 1070060504 /nfs/dbraw/zinc/06/05/04/1070060504.db2.gz KQWFVENJJGVXDE-IBGZPJMESA-N 2 0 476.626 -0.165 20 0 JBADRP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001298088741 1070060700 /nfs/dbraw/zinc/06/07/00/1070060700.db2.gz KQWFVENJJGVXDE-LJQANCHMSA-N 2 0 476.626 -0.165 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301735190 1070145271 /nfs/dbraw/zinc/14/52/71/1070145271.db2.gz WUGQFJZRAYHIEZ-MOPGFXCFSA-N 2 0 485.655 -0.136 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301735191 1070145158 /nfs/dbraw/zinc/14/51/58/1070145158.db2.gz WUGQFJZRAYHIEZ-OALUTQOASA-N 2 0 485.655 -0.136 20 0 JBADRP COCC[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301735192 1070145245 /nfs/dbraw/zinc/14/52/45/1070145245.db2.gz WUGQFJZRAYHIEZ-RBUKOAKNSA-N 2 0 485.655 -0.136 20 0 JBADRP COCC[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301735193 1070145356 /nfs/dbraw/zinc/14/53/56/1070145356.db2.gz WUGQFJZRAYHIEZ-RTBURBONSA-N 2 0 485.655 -0.136 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303399882 1070246395 /nfs/dbraw/zinc/24/63/95/1070246395.db2.gz FKKVNCTUPFEOCP-HTAPYJJXSA-N 2 0 462.599 -0.774 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303399883 1070246068 /nfs/dbraw/zinc/24/60/68/1070246068.db2.gz FKKVNCTUPFEOCP-JTSKRJEESA-N 2 0 462.599 -0.774 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303399884 1070246136 /nfs/dbraw/zinc/24/61/36/1070246136.db2.gz FKKVNCTUPFEOCP-VGOFRKELSA-N 2 0 462.599 -0.774 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303399885 1070246325 /nfs/dbraw/zinc/24/63/25/1070246325.db2.gz FKKVNCTUPFEOCP-VGSWGCGISA-N 2 0 462.599 -0.774 20 0 JBADRP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001303858116 1070275468 /nfs/dbraw/zinc/27/54/68/1070275468.db2.gz PXJSQDRATFFBLX-IKGGRYGDSA-N 2 0 470.644 -0.419 20 0 JBADRP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001303858117 1070275811 /nfs/dbraw/zinc/27/58/11/1070275811.db2.gz PXJSQDRATFFBLX-IXDOHACOSA-N 2 0 470.644 -0.419 20 0 JBADRP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001303858118 1070275405 /nfs/dbraw/zinc/27/54/05/1070275405.db2.gz PXJSQDRATFFBLX-ULQDDVLXSA-N 2 0 470.644 -0.419 20 0 JBADRP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001303858119 1070275631 /nfs/dbraw/zinc/27/56/31/1070275631.db2.gz PXJSQDRATFFBLX-YESZJQIVSA-N 2 0 470.644 -0.419 20 0 JBADRP CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001303858390 1070276332 /nfs/dbraw/zinc/27/63/32/1070276332.db2.gz CHXHTOVHVDKFSG-MSOLQXFVSA-N 2 0 484.671 -0.029 20 0 JBADRP CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001303858391 1070276563 /nfs/dbraw/zinc/27/65/63/1070276563.db2.gz CHXHTOVHVDKFSG-QZTJIDSGSA-N 2 0 484.671 -0.029 20 0 JBADRP CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001303858392 1070276469 /nfs/dbraw/zinc/27/64/69/1070276469.db2.gz CHXHTOVHVDKFSG-ROUUACIJSA-N 2 0 484.671 -0.029 20 0 JBADRP CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001303858393 1070276224 /nfs/dbraw/zinc/27/62/24/1070276224.db2.gz CHXHTOVHVDKFSG-ZWKOTPCHSA-N 2 0 484.671 -0.029 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303859644 1070279348 /nfs/dbraw/zinc/27/93/48/1070279348.db2.gz SEPHYMXTHDIWGJ-DLBZAZTESA-N 2 0 470.644 -0.417 20 0 JBADRP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001303859645 1070279156 /nfs/dbraw/zinc/27/91/56/1070279156.db2.gz SEPHYMXTHDIWGJ-IAGOWNOFSA-N 2 0 470.644 -0.417 20 0 JBADRP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001303859646 1070279125 /nfs/dbraw/zinc/27/91/25/1070279125.db2.gz SEPHYMXTHDIWGJ-IRXDYDNUSA-N 2 0 470.644 -0.417 20 0 JBADRP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001303859647 1070279223 /nfs/dbraw/zinc/27/92/23/1070279223.db2.gz SEPHYMXTHDIWGJ-SJORKVTESA-N 2 0 470.644 -0.417 20 0 JBADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001313699401 1070379051 /nfs/dbraw/zinc/37/90/51/1070379051.db2.gz XPBPPJZZMHXJKQ-HSZRJFAPSA-N 2 0 476.626 -0.543 20 0 JBADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001313699402 1070378809 /nfs/dbraw/zinc/37/88/09/1070378809.db2.gz XPBPPJZZMHXJKQ-QHCPKHFHSA-N 2 0 476.626 -0.543 20 0 JBADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001313704251 1070379535 /nfs/dbraw/zinc/37/95/35/1070379535.db2.gz LXRKWPAZDOWJJN-JOCHJYFZSA-N 2 0 457.583 -0.208 20 0 JBADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001313704256 1070379313 /nfs/dbraw/zinc/37/93/13/1070379313.db2.gz LXRKWPAZDOWJJN-QFIPXVFZSA-N 2 0 457.583 -0.208 20 0 JBADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001313713772 1070380686 /nfs/dbraw/zinc/38/06/86/1070380686.db2.gz ULMLUJUAQIKBMH-CNNODRBYSA-N 2 0 499.682 -0.154 20 0 JBADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001313713773 1070380454 /nfs/dbraw/zinc/38/04/54/1070380454.db2.gz ULMLUJUAQIKBMH-IPJJNNNSSA-N 2 0 499.682 -0.154 20 0 JBADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001313713774 1070380412 /nfs/dbraw/zinc/38/04/12/1070380412.db2.gz ULMLUJUAQIKBMH-JQVVWYNYSA-N 2 0 499.682 -0.154 20 0 JBADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001313713775 1070380778 /nfs/dbraw/zinc/38/07/78/1070380778.db2.gz ULMLUJUAQIKBMH-NNMXDRDESA-N 2 0 499.682 -0.154 20 0 JBADRP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001314673827 1070458446 /nfs/dbraw/zinc/45/84/46/1070458446.db2.gz YZKKWJVJJBJELB-MOPGFXCFSA-N 2 0 497.666 -0.499 20 0 JBADRP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001314673828 1070458504 /nfs/dbraw/zinc/45/85/04/1070458504.db2.gz YZKKWJVJJBJELB-OALUTQOASA-N 2 0 497.666 -0.499 20 0 JBADRP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001314673829 1070458372 /nfs/dbraw/zinc/45/83/72/1070458372.db2.gz YZKKWJVJJBJELB-RBUKOAKNSA-N 2 0 497.666 -0.499 20 0 JBADRP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001314673830 1070458419 /nfs/dbraw/zinc/45/84/19/1070458419.db2.gz YZKKWJVJJBJELB-RTBURBONSA-N 2 0 497.666 -0.499 20 0 JBADRP CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001315009119 1070493652 /nfs/dbraw/zinc/49/36/52/1070493652.db2.gz IWFKNIWRPDGIQV-FQEVSTJZSA-N 2 0 499.620 -0.025 20 0 JBADRP CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001315009126 1070493532 /nfs/dbraw/zinc/49/35/32/1070493532.db2.gz IWFKNIWRPDGIQV-HXUWFJFHSA-N 2 0 499.620 -0.025 20 0 JBADRP COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316068944 1070543100 /nfs/dbraw/zinc/54/31/00/1070543100.db2.gz VMPBIRWIAUYUGM-UHFFFAOYSA-N 2 0 476.626 -0.163 20 0 JBADRP COCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001316074849 1070544717 /nfs/dbraw/zinc/54/47/17/1070544717.db2.gz PKMXFAIHLKXOFM-IBGZPJMESA-N 2 0 476.626 -0.279 20 0 JBADRP COCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001316074850 1070544617 /nfs/dbraw/zinc/54/46/17/1070544617.db2.gz PKMXFAIHLKXOFM-LJQANCHMSA-N 2 0 476.626 -0.279 20 0 JBADRP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001360570218 1070741827 /nfs/dbraw/zinc/74/18/27/1070741827.db2.gz LLAKCOAYTPPEIJ-CEXWTWQISA-N 2 0 485.655 -0.280 20 0 JBADRP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001360570219 1070742129 /nfs/dbraw/zinc/74/21/29/1070742129.db2.gz LLAKCOAYTPPEIJ-GUDVDZBRSA-N 2 0 485.655 -0.280 20 0 JBADRP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001360570220 1070741874 /nfs/dbraw/zinc/74/18/74/1070741874.db2.gz LLAKCOAYTPPEIJ-QRVBRYPASA-N 2 0 485.655 -0.280 20 0 JBADRP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001360570221 1070742151 /nfs/dbraw/zinc/74/21/51/1070742151.db2.gz LLAKCOAYTPPEIJ-QYZOEREBSA-N 2 0 485.655 -0.280 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360702244 1070758123 /nfs/dbraw/zinc/75/81/23/1070758123.db2.gz AMCHWMWCPOGLTD-DBXWQHBBSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360702245 1070757856 /nfs/dbraw/zinc/75/78/56/1070757856.db2.gz AMCHWMWCPOGLTD-OPYAIIAOSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001360702246 1070757946 /nfs/dbraw/zinc/75/79/46/1070757946.db2.gz AMCHWMWCPOGLTD-UEXGIBASSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001360702247 1070758310 /nfs/dbraw/zinc/75/83/10/1070758310.db2.gz AMCHWMWCPOGLTD-WAOWUJCRSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001360704381 1070761350 /nfs/dbraw/zinc/76/13/50/1070761350.db2.gz ZLAXSPGHEWPUBR-IBGZPJMESA-N 2 0 494.666 -0.105 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001360704384 1070761477 /nfs/dbraw/zinc/76/14/77/1070761477.db2.gz ZLAXSPGHEWPUBR-LJQANCHMSA-N 2 0 494.666 -0.105 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@H]1C[NH+](C)C ZINC001454699382 1070827335 /nfs/dbraw/zinc/82/73/35/1070827335.db2.gz PPGQFRSPCSSJPR-IAGOWNOFSA-N 2 0 453.609 -0.018 20 0 JBADRP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001471108800 1068247544 /nfs/dbraw/zinc/24/75/44/1068247544.db2.gz DCFBGQDVNCENJA-QZTJIDSGSA-N 2 0 453.609 -0.136 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC001471110479 1068247442 /nfs/dbraw/zinc/24/74/42/1068247442.db2.gz CYJNTIBWPJQZKO-HZPDHXFCSA-N 2 0 460.622 -0.434 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001502326739 1068339412 /nfs/dbraw/zinc/33/94/12/1068339412.db2.gz BKFNRIOWKMEHAZ-MSOLQXFVSA-N 2 0 473.644 -0.280 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001502326740 1068339315 /nfs/dbraw/zinc/33/93/15/1068339315.db2.gz BKFNRIOWKMEHAZ-QZTJIDSGSA-N 2 0 473.644 -0.280 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001502326741 1068339592 /nfs/dbraw/zinc/33/95/92/1068339592.db2.gz BKFNRIOWKMEHAZ-ROUUACIJSA-N 2 0 473.644 -0.280 20 0 JBADRP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001502326742 1068340001 /nfs/dbraw/zinc/34/00/01/1068340001.db2.gz BKFNRIOWKMEHAZ-ZWKOTPCHSA-N 2 0 473.644 -0.280 20 0 JBADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001502336128 1068342715 /nfs/dbraw/zinc/34/27/15/1068342715.db2.gz VOTRGAZGGKDOBP-AQNXPRMDSA-N 2 0 498.698 -0.223 20 0 JBADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001502336133 1068343051 /nfs/dbraw/zinc/34/30/51/1068343051.db2.gz VOTRGAZGGKDOBP-VAMGGRTRSA-N 2 0 498.698 -0.223 20 0 JBADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001502336134 1068342980 /nfs/dbraw/zinc/34/29/80/1068342980.db2.gz VOTRGAZGGKDOBP-XUVXKRRUSA-N 2 0 498.698 -0.223 20 0 JBADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001502336135 1068342641 /nfs/dbraw/zinc/34/26/41/1068342641.db2.gz VOTRGAZGGKDOBP-ZCNNSNEGSA-N 2 0 498.698 -0.223 20 0 JBADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001509433348 1068573947 /nfs/dbraw/zinc/57/39/47/1068573947.db2.gz XBYLUKGPXNEMEP-GHTZIAJQSA-N 2 0 485.655 -0.544 20 0 JBADRP CC(C)C[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001509433357 1068574058 /nfs/dbraw/zinc/57/40/58/1068574058.db2.gz XBYLUKGPXNEMEP-NQIIRXRSSA-N 2 0 485.655 -0.544 20 0 JBADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001509433358 1068573780 /nfs/dbraw/zinc/57/37/80/1068573780.db2.gz XBYLUKGPXNEMEP-RXVVDRJESA-N 2 0 485.655 -0.544 20 0 JBADRP CC(C)C[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001509433360 1068573653 /nfs/dbraw/zinc/57/36/53/1068573653.db2.gz XBYLUKGPXNEMEP-WIYYLYMNSA-N 2 0 485.655 -0.544 20 0 JBADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001515557178 1068689426 /nfs/dbraw/zinc/68/94/26/1068689426.db2.gz ULSSZBXWOVGASO-DENIHFKCSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001515557180 1068689523 /nfs/dbraw/zinc/68/95/23/1068689523.db2.gz ULSSZBXWOVGASO-KNQAVFIVSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001515557182 1068689475 /nfs/dbraw/zinc/68/94/75/1068689475.db2.gz ULSSZBXWOVGASO-SIKLNZKXSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001515557185 1068689447 /nfs/dbraw/zinc/68/94/47/1068689447.db2.gz ULSSZBXWOVGASO-UGKGYDQZSA-N 2 0 499.682 -0.012 20 0 JBADRP C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001517016856 1068754925 /nfs/dbraw/zinc/75/49/25/1068754925.db2.gz VUCVZCUHCBGDAF-GOSISDBHSA-N 2 0 462.599 -0.448 20 0 JBADRP C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001517016858 1068754808 /nfs/dbraw/zinc/75/48/08/1068754808.db2.gz VUCVZCUHCBGDAF-SFHVURJKSA-N 2 0 462.599 -0.448 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001519119492 1068839421 /nfs/dbraw/zinc/83/94/21/1068839421.db2.gz YASKOGAIEKUTEQ-FHWLQOOXSA-N 2 0 485.655 -0.138 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001519119505 1068838882 /nfs/dbraw/zinc/83/88/82/1068838882.db2.gz YASKOGAIEKUTEQ-OTWHNJEPSA-N 2 0 485.655 -0.138 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001519119511 1068839182 /nfs/dbraw/zinc/83/91/82/1068839182.db2.gz YASKOGAIEKUTEQ-QRVBRYPASA-N 2 0 485.655 -0.138 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001519119516 1068839937 /nfs/dbraw/zinc/83/99/37/1068839937.db2.gz YASKOGAIEKUTEQ-QYZOEREBSA-N 2 0 485.655 -0.138 20 0 JBADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001519221463 1068848001 /nfs/dbraw/zinc/84/80/01/1068848001.db2.gz PAZWQYAZUPWCRI-BZSNNMDCSA-N 2 0 473.644 -0.282 20 0 JBADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001519221464 1068848111 /nfs/dbraw/zinc/84/81/11/1068848111.db2.gz PAZWQYAZUPWCRI-KSZLIROESA-N 2 0 473.644 -0.282 20 0 JBADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001519221465 1068847708 /nfs/dbraw/zinc/84/77/08/1068847708.db2.gz PAZWQYAZUPWCRI-KURKYZTESA-N 2 0 473.644 -0.282 20 0 JBADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001519221466 1068847938 /nfs/dbraw/zinc/84/79/38/1068847938.db2.gz PAZWQYAZUPWCRI-SQNIBIBYSA-N 2 0 473.644 -0.282 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541671390 1068947693 /nfs/dbraw/zinc/94/76/93/1068947693.db2.gz ZXUBFEDXJVLCTO-JOCHJYFZSA-N 2 0 459.599 -0.071 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541671391 1068947524 /nfs/dbraw/zinc/94/75/24/1068947524.db2.gz ZXUBFEDXJVLCTO-QFIPXVFZSA-N 2 0 459.599 -0.071 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001541672096 1068948692 /nfs/dbraw/zinc/94/86/92/1068948692.db2.gz AKUUNNPTEFGZDA-GOSISDBHSA-N 2 0 464.615 -0.263 20 0 JBADRP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001541672097 1068948787 /nfs/dbraw/zinc/94/87/87/1068948787.db2.gz AKUUNNPTEFGZDA-SFHVURJKSA-N 2 0 464.615 -0.263 20 0 JBADRP C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001541856357 1068959011 /nfs/dbraw/zinc/95/90/11/1068959011.db2.gz VAGNXFUUTBGXDQ-HKUYNNGSSA-N 2 0 485.655 -0.138 20 0 JBADRP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001541856358 1068958802 /nfs/dbraw/zinc/95/88/02/1068958802.db2.gz VAGNXFUUTBGXDQ-IEBWSBKVSA-N 2 0 485.655 -0.138 20 0 JBADRP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001541856359 1068958942 /nfs/dbraw/zinc/95/89/42/1068958942.db2.gz VAGNXFUUTBGXDQ-MJGOQNOKSA-N 2 0 485.655 -0.138 20 0 JBADRP C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001541856360 1068958817 /nfs/dbraw/zinc/95/88/17/1068958817.db2.gz VAGNXFUUTBGXDQ-PKOBYXMFSA-N 2 0 485.655 -0.138 20 0 JBADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547185736 1069026092 /nfs/dbraw/zinc/02/60/92/1069026092.db2.gz SAAJTTDGTWDZIM-DENIHFKCSA-N 2 0 499.682 -0.012 20 0 JBADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547185737 1069026594 /nfs/dbraw/zinc/02/65/94/1069026594.db2.gz SAAJTTDGTWDZIM-KNQAVFIVSA-N 2 0 499.682 -0.012 20 0 JBADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547185738 1069026433 /nfs/dbraw/zinc/02/64/33/1069026433.db2.gz SAAJTTDGTWDZIM-SIKLNZKXSA-N 2 0 499.682 -0.012 20 0 JBADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001547185739 1069026688 /nfs/dbraw/zinc/02/66/88/1069026688.db2.gz SAAJTTDGTWDZIM-UGKGYDQZSA-N 2 0 499.682 -0.012 20 0 JBADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725222 1069053661 /nfs/dbraw/zinc/05/36/61/1069053661.db2.gz VUYNUDWVTWLNLP-PMACEKPBSA-N 2 0 483.683 -0.025 20 0 JBADRP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725223 1069053830 /nfs/dbraw/zinc/05/38/30/1069053830.db2.gz VUYNUDWVTWLNLP-UXHICEINSA-N 2 0 483.683 -0.025 20 0 JBADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725224 1069053865 /nfs/dbraw/zinc/05/38/65/1069053865.db2.gz VUYNUDWVTWLNLP-VQTJNVASSA-N 2 0 483.683 -0.025 20 0 JBADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725225 1069053651 /nfs/dbraw/zinc/05/36/51/1069053651.db2.gz VUYNUDWVTWLNLP-WOJBJXKFSA-N 2 0 483.683 -0.025 20 0 JBADRP COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555523839 1069205963 /nfs/dbraw/zinc/20/59/63/1069205963.db2.gz MWNVTEVWRPPMQZ-IBGZPJMESA-N 2 0 476.626 -0.165 20 0 JBADRP COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555523840 1069206230 /nfs/dbraw/zinc/20/62/30/1069206230.db2.gz MWNVTEVWRPPMQZ-LJQANCHMSA-N 2 0 476.626 -0.165 20 0 JBADRP COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001555526877 1069205896 /nfs/dbraw/zinc/20/58/96/1069205896.db2.gz IGZFHULIFARXMW-GOSISDBHSA-N 2 0 462.599 -0.448 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001555526878 1069206048 /nfs/dbraw/zinc/20/60/48/1069206048.db2.gz IGZFHULIFARXMW-SFHVURJKSA-N 2 0 462.599 -0.448 20 0 JBADRP COCC[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001555526948 1069205935 /nfs/dbraw/zinc/20/59/35/1069205935.db2.gz ATOIFVZRZBPFME-IBGZPJMESA-N 2 0 485.655 -0.136 20 0 JBADRP COCC[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001555526949 1069206170 /nfs/dbraw/zinc/20/61/70/1069206170.db2.gz ATOIFVZRZBPFME-LJQANCHMSA-N 2 0 485.655 -0.136 20 0 JBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001559556932 1069271435 /nfs/dbraw/zinc/27/14/35/1069271435.db2.gz MEUUWODVAMBDTE-UHFFFAOYSA-N 2 0 459.657 -0.057 20 0 JBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001564890936 1069292015 /nfs/dbraw/zinc/29/20/15/1069292015.db2.gz HBZQFYJXYGMPQZ-UHFFFAOYSA-N 2 0 455.581 -0.035 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C[NH+](C)C ZINC001587263718 1069319373 /nfs/dbraw/zinc/31/93/73/1069319373.db2.gz FPVSWLQFBDBBAR-QZTJIDSGSA-N 2 0 451.593 -0.382 20 0 JBADRP C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001611582837 1069394536 /nfs/dbraw/zinc/39/45/36/1069394536.db2.gz CVPYCRIKTLBDOL-MSOLQXFVSA-N 2 0 467.640 -0.125 20 0 JBADRP C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001611582841 1069394713 /nfs/dbraw/zinc/39/47/13/1069394713.db2.gz CVPYCRIKTLBDOL-QZTJIDSGSA-N 2 0 467.640 -0.125 20 0 JBADRP C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001611582843 1069394635 /nfs/dbraw/zinc/39/46/35/1069394635.db2.gz CVPYCRIKTLBDOL-ROUUACIJSA-N 2 0 467.640 -0.125 20 0 JBADRP C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC001611582845 1069394828 /nfs/dbraw/zinc/39/48/28/1069394828.db2.gz CVPYCRIKTLBDOL-ZWKOTPCHSA-N 2 0 467.640 -0.125 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611702439 1069410625 /nfs/dbraw/zinc/41/06/25/1069410625.db2.gz AMCHWMWCPOGLTD-BBTUJRGHSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611702440 1069410687 /nfs/dbraw/zinc/41/06/87/1069410687.db2.gz AMCHWMWCPOGLTD-LQWHRVPQSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611702441 1069410538 /nfs/dbraw/zinc/41/05/38/1069410538.db2.gz AMCHWMWCPOGLTD-LVCYWYKZSA-N 2 0 485.655 -0.497 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611702442 1069410391 /nfs/dbraw/zinc/41/03/91/1069410391.db2.gz AMCHWMWCPOGLTD-WFXMLNOXSA-N 2 0 485.655 -0.497 20 0 JBADRP CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001611704491 1069413819 /nfs/dbraw/zinc/41/38/19/1069413819.db2.gz CCXGKVQCQJXMKQ-GOSISDBHSA-N 2 0 484.671 -0.027 20 0 JBADRP CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001611704492 1069413772 /nfs/dbraw/zinc/41/37/72/1069413772.db2.gz CCXGKVQCQJXMKQ-SFHVURJKSA-N 2 0 484.671 -0.027 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611709891 1069421149 /nfs/dbraw/zinc/42/11/49/1069421149.db2.gz ZFXRSJAOKNJHTH-CSODHUTKSA-N 2 0 485.655 -0.356 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611709892 1069421224 /nfs/dbraw/zinc/42/12/24/1069421224.db2.gz ZFXRSJAOKNJHTH-FIKGOQFSSA-N 2 0 485.655 -0.356 20 0 JBADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611709893 1069421355 /nfs/dbraw/zinc/42/13/55/1069421355.db2.gz ZFXRSJAOKNJHTH-FVJLSDCUSA-N 2 0 485.655 -0.356 20 0 JBADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611709894 1069421398 /nfs/dbraw/zinc/42/13/98/1069421398.db2.gz ZFXRSJAOKNJHTH-XGHQBKJUSA-N 2 0 485.655 -0.356 20 0 JBADRP CCO[C@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249718 1069516000 /nfs/dbraw/zinc/51/60/00/1069516000.db2.gz KKBZCIPNHFHZFW-BJKOFHAPSA-N 2 0 493.653 -0.013 20 0 JBADRP CCO[C@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249722 1069515888 /nfs/dbraw/zinc/51/58/88/1069515888.db2.gz KKBZCIPNHFHZFW-DNQXCXABSA-N 2 0 493.653 -0.013 20 0 JBADRP CCO[C@@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249724 1069515956 /nfs/dbraw/zinc/51/59/56/1069515956.db2.gz KKBZCIPNHFHZFW-RPWUZVMVSA-N 2 0 493.653 -0.013 20 0 JBADRP CCO[C@@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249727 1069515981 /nfs/dbraw/zinc/51/59/81/1069515981.db2.gz KKBZCIPNHFHZFW-ZEQRLZLVSA-N 2 0 493.653 -0.013 20 0 JBADRP C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001617700052 1069546980 /nfs/dbraw/zinc/54/69/80/1069546980.db2.gz UMJXQENSEGJQRM-MOPGFXCFSA-N 2 0 485.655 -0.136 20 0 JBADRP C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001617700053 1069546815 /nfs/dbraw/zinc/54/68/15/1069546815.db2.gz UMJXQENSEGJQRM-OALUTQOASA-N 2 0 485.655 -0.136 20 0 JBADRP C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001617700054 1069546848 /nfs/dbraw/zinc/54/68/48/1069546848.db2.gz UMJXQENSEGJQRM-RBUKOAKNSA-N 2 0 485.655 -0.136 20 0 JBADRP C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001617700055 1069546951 /nfs/dbraw/zinc/54/69/51/1069546951.db2.gz UMJXQENSEGJQRM-RTBURBONSA-N 2 0 485.655 -0.136 20 0 JBADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001618333698 1069559959 /nfs/dbraw/zinc/55/99/59/1069559959.db2.gz GXTDDTBHLXOBCS-INIZCTEOSA-N 2 0 453.609 -0.229 20 0 JBADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001618333699 1069559818 /nfs/dbraw/zinc/55/98/18/1069559818.db2.gz GXTDDTBHLXOBCS-MRXNPFEDSA-N 2 0 453.609 -0.229 20 0 JBADRP COCCO[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001620014857 1069649695 /nfs/dbraw/zinc/64/96/95/1069649695.db2.gz QNEJGSWKAFKTCC-AUSIDOKSSA-N 2 0 479.626 -0.187 20 0 JBADRP COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001620014858 1069649572 /nfs/dbraw/zinc/64/95/72/1069649572.db2.gz QNEJGSWKAFKTCC-CVDCTZTESA-N 2 0 479.626 -0.187 20 0 JBADRP COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001620014859 1069649759 /nfs/dbraw/zinc/64/97/59/1069649759.db2.gz QNEJGSWKAFKTCC-WMZHIEFXSA-N 2 0 479.626 -0.187 20 0 JBADRP COCCO[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001620014860 1069649596 /nfs/dbraw/zinc/64/95/96/1069649596.db2.gz QNEJGSWKAFKTCC-XXBNENTESA-N 2 0 479.626 -0.187 20 0 JBADRP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC001632043772 1069754163 /nfs/dbraw/zinc/75/41/63/1069754163.db2.gz YHJDTMCQPMVCES-HZPDHXFCSA-N 2 0 459.638 -0.140 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C[NH+](C)C ZINC001635581423 1069784423 /nfs/dbraw/zinc/78/44/23/1069784423.db2.gz AJTWMFNXPKVNME-QZTJIDSGSA-N 2 0 451.593 -0.382 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C[NH+](C)C ZINC001648764337 1069864265 /nfs/dbraw/zinc/86/42/65/1069864265.db2.gz JNRIWLJJDCCHDJ-BRWVUGGUSA-N 2 0 451.593 -0.115 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C[NH+](C)C ZINC001648764338 1069864871 /nfs/dbraw/zinc/86/48/71/1069864871.db2.gz JNRIWLJJDCCHDJ-GVDBMIGSSA-N 2 0 451.593 -0.115 20 0 JBADRP Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)cn1 ZINC001669430625 1069955124 /nfs/dbraw/zinc/95/51/24/1069955124.db2.gz IMIVNDOWFQVJOK-IAGOWNOFSA-N 2 0 455.629 -0.046 20 0 JBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH+](C)C ZINC001674100206 1069960543 /nfs/dbraw/zinc/96/05/43/1069960543.db2.gz XIMMAVFQTSWHCE-WOJBJXKFSA-N 2 0 481.667 -0.086 20 0 JBADRP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684943562 1069989549 /nfs/dbraw/zinc/98/95/49/1069989549.db2.gz GKGZZHPASWRIPC-FGZHOGPDSA-N 2 0 452.644 -0.121 20 0 JBADRP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684943563 1069989466 /nfs/dbraw/zinc/98/94/66/1069989466.db2.gz GKGZZHPASWRIPC-SZPZYZBQSA-N 2 0 452.644 -0.121 20 0 JBADRP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684943564 1069989448 /nfs/dbraw/zinc/98/94/48/1069989448.db2.gz GKGZZHPASWRIPC-VXKWHMMOSA-N 2 0 452.644 -0.121 20 0 JBADRP