smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000016438867 530105297 /nfs/dbraw/zinc/10/52/97/530105297.db2.gz IMCXTHFCTHXMEN-HNNXBMFYSA-N 1 1 376.523 -0.963 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000016438869 530105201 /nfs/dbraw/zinc/10/52/01/530105201.db2.gz IMCXTHFCTHXMEN-OAHLLOKOSA-N 1 1 376.523 -0.963 20 0 GBADMO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)c(=O)n2C ZINC000017357826 1073344144 /nfs/dbraw/zinc/34/41/44/1073344144.db2.gz YEWWBHKOBIPVMM-UHFFFAOYSA-N 1 1 396.451 -0.222 20 0 GBADMO CCS(=O)(=O)NCCCN1CC[NH+](CCCNS(=O)(=O)CC)CC1 ZINC000019365156 530144209 /nfs/dbraw/zinc/14/42/09/530144209.db2.gz FMBDDHVTWSRTIJ-UHFFFAOYSA-N 1 1 384.568 -0.737 20 0 GBADMO O=C(CN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)NCc1ccccc1 ZINC000022092178 1073815231 /nfs/dbraw/zinc/81/52/31/1073815231.db2.gz PKTOLHINCPAKEY-LJQANCHMSA-N 1 1 376.501 -0.387 20 0 GBADMO O=C(CN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)NCc1ccccc1 ZINC000022092183 1073815818 /nfs/dbraw/zinc/81/58/18/1073815818.db2.gz PKTOLHINCPAKEY-IBGZPJMESA-N 1 1 376.501 -0.387 20 0 GBADMO CN1CC[NH+](C[C@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022860265 1073200526 /nfs/dbraw/zinc/20/05/26/1073200526.db2.gz BKUOJFQQAPCHCR-INIZCTEOSA-N 1 1 399.513 -0.305 20 0 GBADMO CN1CC[NH+](C[C@@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022860267 1073200487 /nfs/dbraw/zinc/20/04/87/1073200487.db2.gz BKUOJFQQAPCHCR-MRXNPFEDSA-N 1 1 399.513 -0.305 20 0 GBADMO O=C(CN1CC[NH+](CCO)CC1)NCc1ccccc1CN1CCOCC1 ZINC000022943663 1073201204 /nfs/dbraw/zinc/20/12/04/1073201204.db2.gz VEEHTGWOYNOVNZ-UHFFFAOYSA-N 1 1 376.501 -0.255 20 0 GBADMO O=C(NCCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000023247538 1073517213 /nfs/dbraw/zinc/51/72/13/1073517213.db2.gz MGUGKOWZFDSUOJ-HDICACEKSA-N 1 1 396.532 -0.025 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)N(C)C)CC2)C1 ZINC000023251448 1072232163 /nfs/dbraw/zinc/23/21/63/1072232163.db2.gz HCZAMLYOTRANFJ-KRWDZBQOSA-N 1 1 383.537 -0.835 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(CC(=O)N(C)C)CC2)C1 ZINC000023251451 1072232217 /nfs/dbraw/zinc/23/22/17/1072232217.db2.gz HCZAMLYOTRANFJ-QGZVFWFLSA-N 1 1 383.537 -0.835 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000023253777 1073639379 /nfs/dbraw/zinc/63/93/79/1073639379.db2.gz IJWZSUROHPRPJS-SFHVURJKSA-N 1 1 395.548 -0.644 20 0 GBADMO CC[NH+]1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000023467939 1072168407 /nfs/dbraw/zinc/16/84/07/1072168407.db2.gz MHSWZAXAAMGUBK-UHFFFAOYSA-N 1 1 385.468 -0.002 20 0 GBADMO C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000023693795 1073873507 /nfs/dbraw/zinc/87/35/07/1073873507.db2.gz OHITXAZENMSYPX-UHFFFAOYSA-N 1 1 384.477 -0.094 20 0 GBADMO C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000023693823 1073873084 /nfs/dbraw/zinc/87/30/84/1073873084.db2.gz WEKROYBAUPPSDN-UHFFFAOYSA-N 1 1 384.477 -0.094 20 0 GBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000023700661 1072363514 /nfs/dbraw/zinc/36/35/14/1072363514.db2.gz KPKDHQSYCUKCND-OAHLLOKOSA-N 1 1 397.497 -0.015 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000024713576 1072273341 /nfs/dbraw/zinc/27/33/41/1072273341.db2.gz YZZCBQKYRQYZBD-UHFFFAOYSA-N 1 1 392.481 -0.019 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000024713576 1072273335 /nfs/dbraw/zinc/27/33/35/1072273335.db2.gz YZZCBQKYRQYZBD-UHFFFAOYSA-N 1 1 392.481 -0.019 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000024717002 1073888942 /nfs/dbraw/zinc/88/89/42/1073888942.db2.gz IRJAHBBMYRBZFT-HNNXBMFYSA-N 1 1 381.521 -0.402 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000024717002 1073888936 /nfs/dbraw/zinc/88/89/36/1073888936.db2.gz IRJAHBBMYRBZFT-HNNXBMFYSA-N 1 1 381.521 -0.402 20 0 GBADMO CC(C)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000025137629 1072276702 /nfs/dbraw/zinc/27/67/02/1072276702.db2.gz FVGOUDRLYUJFAA-UHFFFAOYSA-N 1 1 394.497 -0.027 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000025228170 1072276461 /nfs/dbraw/zinc/27/64/61/1072276461.db2.gz NRAQKHMZOKHREA-UHFFFAOYSA-N 1 1 382.486 -0.123 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000025235546 1073330659 /nfs/dbraw/zinc/33/06/59/1073330659.db2.gz JQSLGUISAKIVGH-UHFFFAOYSA-N 1 1 394.453 -0.842 20 0 GBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000026859213 1072538259 /nfs/dbraw/zinc/53/82/59/1072538259.db2.gz IXRQRGBIJSZLPX-UHFFFAOYSA-N 1 1 397.497 -0.015 20 0 GBADMO CN(C)C(=O)CN1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026905961 1072336439 /nfs/dbraw/zinc/33/64/39/1072336439.db2.gz WIYUGBLLRHDIBS-UHFFFAOYSA-N 1 1 389.504 -0.779 20 0 GBADMO CS(=O)(=O)N1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026915822 1072156058 /nfs/dbraw/zinc/15/60/58/1072156058.db2.gz UFSPUVTVZHLJIJ-UHFFFAOYSA-N 1 1 396.517 -0.517 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000027356050 1073025090 /nfs/dbraw/zinc/02/50/90/1073025090.db2.gz SSOXGVKROVASEW-UHFFFAOYSA-N 1 1 390.488 -0.072 20 0 GBADMO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027565401 1073269022 /nfs/dbraw/zinc/26/90/22/1073269022.db2.gz SFZZVSUADMKTLR-CQSZACIVSA-N 1 1 396.513 -0.065 20 0 GBADMO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027565401 1073269016 /nfs/dbraw/zinc/26/90/16/1073269016.db2.gz SFZZVSUADMKTLR-CQSZACIVSA-N 1 1 396.513 -0.065 20 0 GBADMO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027565403 1073269104 /nfs/dbraw/zinc/26/91/04/1073269104.db2.gz SFZZVSUADMKTLR-AWEZNQCLSA-N 1 1 396.513 -0.065 20 0 GBADMO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027565403 1073269101 /nfs/dbraw/zinc/26/91/01/1073269101.db2.gz SFZZVSUADMKTLR-AWEZNQCLSA-N 1 1 396.513 -0.065 20 0 GBADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000027765739 1073338688 /nfs/dbraw/zinc/33/86/88/1073338688.db2.gz MNICMSVFMLGAAK-GJZGRUSLSA-N 1 1 390.550 -0.432 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000028421689 1073905278 /nfs/dbraw/zinc/90/52/78/1073905278.db2.gz FETOTLMUICRLDV-UHFFFAOYSA-N 1 1 397.501 -0.614 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000028423334 1073355133 /nfs/dbraw/zinc/35/51/33/1073355133.db2.gz IMCSCCOFQIYKPV-UHFFFAOYSA-N 1 1 390.488 -0.072 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000028423374 1073905847 /nfs/dbraw/zinc/90/58/47/1073905847.db2.gz GYXXIXVWBMAHBJ-UHFFFAOYSA-N 1 1 391.472 -0.065 20 0 GBADMO O=C(NCCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000028835412 1073483364 /nfs/dbraw/zinc/48/33/64/1073483364.db2.gz NXSRSPHJNWKAAX-UHFFFAOYSA-N 1 1 387.458 -0.247 20 0 GBADMO CC(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000028843296 1072189388 /nfs/dbraw/zinc/18/93/88/1072189388.db2.gz RJZLIQVMUIJEEB-UHFFFAOYSA-N 1 1 382.486 -0.453 20 0 GBADMO O=C(CNC(=O)c1ccncc1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000028971417 1073501397 /nfs/dbraw/zinc/50/13/97/1073501397.db2.gz BAXULRRCFHNRKB-UHFFFAOYSA-N 1 1 383.456 -0.070 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000029221132 1073882933 /nfs/dbraw/zinc/88/29/33/1073882933.db2.gz IFNIQKBZJOUVKX-AATRIKPKSA-N 1 1 391.472 -0.796 20 0 GBADMO CN(C)C(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000029926357 1072537449 /nfs/dbraw/zinc/53/74/49/1072537449.db2.gz OUQPZWNZDHAORX-UHFFFAOYSA-N 1 1 375.477 -0.186 20 0 GBADMO Cn1c2ncn(CC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2c(=O)n(C)c1=O ZINC000030029074 1072296700 /nfs/dbraw/zinc/29/67/00/1072296700.db2.gz HUNBIBDLAUZYNC-OAHLLOKOSA-N 1 1 396.451 -0.051 20 0 GBADMO Cn1c2ncn(CC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c2c(=O)n(C)c1=O ZINC000030029074 1072296695 /nfs/dbraw/zinc/29/66/95/1072296695.db2.gz HUNBIBDLAUZYNC-OAHLLOKOSA-N 1 1 396.451 -0.051 20 0 GBADMO Cn1c2ncn(CC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c2c(=O)n(C)c1=O ZINC000030029075 1072296197 /nfs/dbraw/zinc/29/61/97/1072296197.db2.gz HUNBIBDLAUZYNC-HNNXBMFYSA-N 1 1 396.451 -0.051 20 0 GBADMO Cn1c2ncn(CC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c2c(=O)n(C)c1=O ZINC000030029075 1072296185 /nfs/dbraw/zinc/29/61/85/1072296185.db2.gz HUNBIBDLAUZYNC-HNNXBMFYSA-N 1 1 396.451 -0.051 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000030283343 1072538852 /nfs/dbraw/zinc/53/88/52/1072538852.db2.gz DMBFHTOIPOHDFM-UHFFFAOYSA-N 1 1 379.505 -0.791 20 0 GBADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030646197 1072778143 /nfs/dbraw/zinc/77/81/43/1072778143.db2.gz RWTIHMNUXZIWQT-OAHLLOKOSA-N 1 1 396.517 -0.471 20 0 GBADMO CS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030646201 1072778321 /nfs/dbraw/zinc/77/83/21/1072778321.db2.gz RWTIHMNUXZIWQT-HNNXBMFYSA-N 1 1 396.517 -0.471 20 0 GBADMO Cn1cnc2c1c(=O)n(CC(=O)NCC[N@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000031337781 1073493911 /nfs/dbraw/zinc/49/39/11/1073493911.db2.gz KHWUCRZFGFSEIJ-UHFFFAOYSA-N 1 1 396.451 -0.392 20 0 GBADMO Cn1c2ncn(CC(=O)NCC[N@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000031338145 1073493832 /nfs/dbraw/zinc/49/38/32/1073493832.db2.gz JMUNFBHUWQJNJO-UHFFFAOYSA-N 1 1 396.451 -0.392 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000031932122 1073272507 /nfs/dbraw/zinc/27/25/07/1073272507.db2.gz QJINNHTUQGJXLI-UHFFFAOYSA-N 1 1 399.517 -0.015 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000031932521 1073272293 /nfs/dbraw/zinc/27/22/93/1073272293.db2.gz NLMQVKPHUAADDY-UHFFFAOYSA-N 1 1 385.490 -0.607 20 0 GBADMO C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[N@H+]1CCCC[C@H]1C ZINC000032732337 1072809810 /nfs/dbraw/zinc/80/98/10/1072809810.db2.gz CYMSUVOVIGIUDY-OLZOCXBDSA-N 1 1 376.461 -0.187 20 0 GBADMO C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[N@H+]1CCCC[C@@H]1C ZINC000032732339 1072809666 /nfs/dbraw/zinc/80/96/66/1072809666.db2.gz CYMSUVOVIGIUDY-STQMWFEESA-N 1 1 376.461 -0.187 20 0 GBADMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032758331 1072229307 /nfs/dbraw/zinc/22/93/07/1072229307.db2.gz DVHKSFSNPAUGKF-QAPCUYQASA-N 1 1 389.452 -0.046 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000040155757 205060098 /nfs/dbraw/zinc/06/00/98/205060098.db2.gz LXPQBIMFLCRTKW-UHFFFAOYSA-N 1 1 399.473 -0.070 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000040155757 205060094 /nfs/dbraw/zinc/06/00/94/205060094.db2.gz LXPQBIMFLCRTKW-UHFFFAOYSA-N 1 1 399.473 -0.070 20 0 GBADMO CCS(=O)(=O)N(C)CCCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000041171839 530106840 /nfs/dbraw/zinc/10/68/40/530106840.db2.gz RQHKNOPGIAZWEM-UHFFFAOYSA-N 1 1 377.511 -0.832 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000041171943 1073241973 /nfs/dbraw/zinc/24/19/73/1073241973.db2.gz NDZWWUUTZLZXAB-UHFFFAOYSA-N 1 1 391.538 -0.442 20 0 GBADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041711563 1072381111 /nfs/dbraw/zinc/38/11/11/1072381111.db2.gz VXEFSIUIROLNCI-CYBMUJFWSA-N 1 1 389.456 -0.312 20 0 GBADMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000041717219 1073253812 /nfs/dbraw/zinc/25/38/12/1073253812.db2.gz RSPRBVMBSBYURI-UHFFFAOYSA-N 1 1 377.445 -0.313 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2F)CC1 ZINC000041825106 1072617050 /nfs/dbraw/zinc/61/70/50/1072617050.db2.gz SFCNCZGWUNUSDF-UHFFFAOYSA-N 1 1 394.403 -0.123 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000041825172 1073255342 /nfs/dbraw/zinc/25/53/42/1073255342.db2.gz RQWWITSPAGRRHO-UHFFFAOYSA-N 1 1 376.413 -0.277 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000041825256 1072616965 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530344610 /nfs/dbraw/zinc/34/46/10/530344610.db2.gz FOWCNJUADGIZCZ-QWHCGFSZSA-N 1 1 378.495 -0.359 20 0 GBADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052133608 530344632 /nfs/dbraw/zinc/34/46/32/530344632.db2.gz FOWCNJUADGIZCZ-CHWSQXEVSA-N 1 1 378.495 -0.359 20 0 GBADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052133608 530344631 /nfs/dbraw/zinc/34/46/31/530344631.db2.gz FOWCNJUADGIZCZ-CHWSQXEVSA-N 1 1 378.495 -0.359 20 0 GBADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134408 530210286 /nfs/dbraw/zinc/21/02/86/530210286.db2.gz BODGVGRFHXAQDD-CQSZACIVSA-N 1 1 376.523 -0.235 20 0 GBADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134408 530210285 /nfs/dbraw/zinc/21/02/85/530210285.db2.gz BODGVGRFHXAQDD-CQSZACIVSA-N 1 1 376.523 -0.235 20 0 GBADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134409 530210174 /nfs/dbraw/zinc/21/01/74/530210174.db2.gz BODGVGRFHXAQDD-AWEZNQCLSA-N 1 1 376.523 -0.235 20 0 GBADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134409 530210171 /nfs/dbraw/zinc/21/01/71/530210171.db2.gz BODGVGRFHXAQDD-AWEZNQCLSA-N 1 1 376.523 -0.235 20 0 GBADMO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000052141832 1072437619 /nfs/dbraw/zinc/43/76/19/1072437619.db2.gz ZONCAMDOFKKKLB-OAHLLOKOSA-N 1 1 392.522 -0.696 20 0 GBADMO CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000052141837 1072437845 /nfs/dbraw/zinc/43/78/45/1072437845.db2.gz ZONCAMDOFKKKLB-HNNXBMFYSA-N 1 1 392.522 -0.696 20 0 GBADMO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052142175 1072389221 /nfs/dbraw/zinc/38/92/21/1072389221.db2.gz QSPJVEHFDMYZKE-SOUVJXGZSA-N 1 1 392.522 -0.555 20 0 GBADMO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052142175 1072389214 /nfs/dbraw/zinc/38/92/14/1072389214.db2.gz QSPJVEHFDMYZKE-SOUVJXGZSA-N 1 1 392.522 -0.555 20 0 GBADMO Cc1[nH+]ccn1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000052191503 1073920215 /nfs/dbraw/zinc/92/02/15/1073920215.db2.gz DMCPRWUNRRNBCZ-UHFFFAOYSA-N 1 1 391.453 -0.258 20 0 GBADMO Cc1[nH+]ccn1CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000052191629 1073920487 /nfs/dbraw/zinc/92/04/87/1073920487.db2.gz QXZZHUXUTYRWKH-UHFFFAOYSA-N 1 1 391.453 -0.258 20 0 GBADMO Cc1[nH+]ccn1CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000052192346 1073920135 /nfs/dbraw/zinc/92/01/35/1073920135.db2.gz IMZIJIGOTMMNRO-UHFFFAOYSA-N 1 1 393.469 -0.012 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(N3CCNC3=O)CC2)C1 ZINC000052215645 1073919900 /nfs/dbraw/zinc/91/99/00/1073919900.db2.gz GTBGPOWXVKUVTR-QGZVFWFLSA-N 1 1 381.521 -0.051 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(N3CCNC3=O)CC2)C1 ZINC000052215648 1073920293 /nfs/dbraw/zinc/92/02/93/1073920293.db2.gz GTBGPOWXVKUVTR-KRWDZBQOSA-N 1 1 381.521 -0.051 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)CS(=O)(=O)C(C)C)C1 ZINC000052271977 637366311 /nfs/dbraw/zinc/36/63/11/637366311.db2.gz WFLZVJZGOQYTGQ-CQSZACIVSA-N 1 1 378.491 -0.174 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)CS(=O)(=O)C(C)C)C1 ZINC000052271978 637366490 /nfs/dbraw/zinc/36/64/90/637366490.db2.gz WFLZVJZGOQYTGQ-AWEZNQCLSA-N 1 1 378.491 -0.174 20 0 GBADMO C[C@@H]1C[N@H+](CCCNC(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H](C)O1 ZINC000052301866 1072455331 /nfs/dbraw/zinc/45/53/31/1072455331.db2.gz CYSUNCPTWZTEGV-GASCZTMLSA-N 1 1 392.522 -0.553 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000052302513 1072456493 /nfs/dbraw/zinc/45/64/93/1072456493.db2.gz AZZIIEBAKXQDDR-OAHLLOKOSA-N 1 1 392.522 -0.696 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000052302518 1072456380 /nfs/dbraw/zinc/45/63/80/1072456380.db2.gz AZZIIEBAKXQDDR-HNNXBMFYSA-N 1 1 392.522 -0.696 20 0 GBADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000052364928 1073921471 /nfs/dbraw/zinc/92/14/71/1073921471.db2.gz MOHHLHDMISYZNS-UHFFFAOYSA-N 1 1 387.396 -0.151 20 0 GBADMO COc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1OCC(N)=O ZINC000052365069 1071146012 /nfs/dbraw/zinc/14/60/12/1071146012.db2.gz YOYULLHYYBYBAJ-UHFFFAOYSA-N 1 1 375.385 -0.181 20 0 GBADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000052407787 1072470738 /nfs/dbraw/zinc/47/07/38/1072470738.db2.gz LESLQBDBXYCCHK-UHFFFAOYSA-N 1 1 393.488 -0.293 20 0 GBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000052407787 1072470730 /nfs/dbraw/zinc/47/07/30/1072470730.db2.gz LESLQBDBXYCCHK-UHFFFAOYSA-N 1 1 393.488 -0.293 20 0 GBADMO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H]1CCCCO1 ZINC000052442887 1073930845 /nfs/dbraw/zinc/93/08/45/1073930845.db2.gz RWFWVJDZVFRTBP-KRWDZBQOSA-N 1 1 382.505 -0.510 20 0 GBADMO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H]1CCCCO1 ZINC000052442887 1073930839 /nfs/dbraw/zinc/93/08/39/1073930839.db2.gz RWFWVJDZVFRTBP-KRWDZBQOSA-N 1 1 382.505 -0.510 20 0 GBADMO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@H]1CCCCO1 ZINC000052442888 1073930806 /nfs/dbraw/zinc/93/08/06/1073930806.db2.gz RWFWVJDZVFRTBP-QGZVFWFLSA-N 1 1 382.505 -0.510 20 0 GBADMO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@H]1CCCCO1 ZINC000052442888 1073930798 /nfs/dbraw/zinc/93/07/98/1073930798.db2.gz RWFWVJDZVFRTBP-QGZVFWFLSA-N 1 1 382.505 -0.510 20 0 GBADMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000052548814 1073931619 /nfs/dbraw/zinc/93/16/19/1073931619.db2.gz GZYZXWWCEVDBNF-LBPRGKRZSA-N 1 1 399.473 -0.511 20 0 GBADMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000052548815 1073931420 /nfs/dbraw/zinc/93/14/20/1073931420.db2.gz GZYZXWWCEVDBNF-GFCCVEGCSA-N 1 1 399.473 -0.511 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000052670246 1073936374 /nfs/dbraw/zinc/93/63/74/1073936374.db2.gz VIZOBXUVXNMRLG-JKSUJKDBSA-N 1 1 390.550 -0.527 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000052670249 1073936159 /nfs/dbraw/zinc/93/61/59/1073936159.db2.gz VIZOBXUVXNMRLG-HOTGVXAUSA-N 1 1 390.550 -0.527 20 0 GBADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000052670631 530210784 /nfs/dbraw/zinc/21/07/84/530210784.db2.gz AKQPGTFICMZAAC-GFCCVEGCSA-N 1 1 377.488 -0.274 20 0 GBADMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000052670631 530210783 /nfs/dbraw/zinc/21/07/83/530210783.db2.gz AKQPGTFICMZAAC-GFCCVEGCSA-N 1 1 377.488 -0.274 20 0 GBADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000052670633 530210887 /nfs/dbraw/zinc/21/08/87/530210887.db2.gz AKQPGTFICMZAAC-LBPRGKRZSA-N 1 1 377.488 -0.274 20 0 GBADMO CS(=O)(=O)N[C@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000052670633 530210885 /nfs/dbraw/zinc/21/08/85/530210885.db2.gz AKQPGTFICMZAAC-LBPRGKRZSA-N 1 1 377.488 -0.274 20 0 GBADMO CCOCCCNC(=O)C1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000052673114 1073941430 /nfs/dbraw/zinc/94/14/30/1073941430.db2.gz GOMKLXDLDWPMPL-UHFFFAOYSA-N 1 1 382.505 -0.020 20 0 GBADMO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000052691924 530211128 /nfs/dbraw/zinc/21/11/28/530211128.db2.gz HWINERUVANPJQW-CYBMUJFWSA-N 1 1 375.491 -0.341 20 0 GBADMO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000052691924 530211126 /nfs/dbraw/zinc/21/11/26/530211126.db2.gz HWINERUVANPJQW-CYBMUJFWSA-N 1 1 375.491 -0.341 20 0 GBADMO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000052691927 530211344 /nfs/dbraw/zinc/21/13/44/530211344.db2.gz HWINERUVANPJQW-ZDUSSCGKSA-N 1 1 375.491 -0.341 20 0 GBADMO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000052691927 530211343 /nfs/dbraw/zinc/21/13/43/530211343.db2.gz HWINERUVANPJQW-ZDUSSCGKSA-N 1 1 375.491 -0.341 20 0 GBADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000052694254 530085621 /nfs/dbraw/zinc/08/56/21/530085621.db2.gz MHGHVAJFBOBIPH-ZDUSSCGKSA-N 1 1 391.515 -0.026 20 0 GBADMO 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1072391531 /nfs/dbraw/zinc/39/15/31/1072391531.db2.gz LKVCLPOLWBNPQF-QGZVFWFLSA-N 1 1 382.553 -0.277 20 0 GBADMO CCNC(=O)CN1CCN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000074658580 1072390935 /nfs/dbraw/zinc/39/09/35/1072390935.db2.gz LKVCLPOLWBNPQF-KRWDZBQOSA-N 1 1 382.553 -0.277 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000074879412 1072391249 /nfs/dbraw/zinc/39/12/49/1072391249.db2.gz HJYBBFABZNXGMM-UHFFFAOYSA-N 1 1 377.493 -0.196 20 0 GBADMO CC(C)[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)N1CC[NH+](C)CC1 ZINC000075850921 1072393194 /nfs/dbraw/zinc/39/31/94/1072393194.db2.gz WISWOPSOEIHUFE-OAHLLOKOSA-N 1 1 375.477 -0.482 20 0 GBADMO CC(C)[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)N1CC[NH+](C)CC1 ZINC000075850922 1072393170 /nfs/dbraw/zinc/39/31/70/1072393170.db2.gz WISWOPSOEIHUFE-HNNXBMFYSA-N 1 1 375.477 -0.482 20 0 GBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000076974449 1072395205 /nfs/dbraw/zinc/39/52/05/1072395205.db2.gz KKMIKVPLZWQLKR-QGZVFWFLSA-N 1 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1072552832 /nfs/dbraw/zinc/55/28/32/1072552832.db2.gz DWDURDWQNYLLMZ-QGZVFWFLSA-N 1 1 380.489 -0.451 20 0 GBADMO C[N@H+](CC(=O)NCCN1CCc2ccccc21)C[C@H](O)CN1CCOCC1 ZINC000083245304 1072552336 /nfs/dbraw/zinc/55/23/36/1072552336.db2.gz NZBVSIFRPCHYET-SFHVURJKSA-N 1 1 376.501 -0.210 20 0 GBADMO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C[C@H](O)CN1CCOCC1 ZINC000083245304 1072552331 /nfs/dbraw/zinc/55/23/31/1072552331.db2.gz NZBVSIFRPCHYET-SFHVURJKSA-N 1 1 376.501 -0.210 20 0 GBADMO C[N@H+](CC(=O)NCCN1CCc2ccccc21)C[C@@H](O)CN1CCOCC1 ZINC000083245308 1072552680 /nfs/dbraw/zinc/55/26/80/1072552680.db2.gz NZBVSIFRPCHYET-GOSISDBHSA-N 1 1 376.501 -0.210 20 0 GBADMO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C[C@@H](O)CN1CCOCC1 ZINC000083245308 1072552671 /nfs/dbraw/zinc/55/26/71/1072552671.db2.gz NZBVSIFRPCHYET-GOSISDBHSA-N 1 1 376.501 -0.210 20 0 GBADMO CN(C)c1[nH+]cc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1C ZINC000083738765 1072552956 /nfs/dbraw/zinc/55/29/56/1072552956.db2.gz MZQJBGSDKUAUNQ-UHFFFAOYSA-N 1 1 377.493 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393.465 -0.140 20 0 GBADMO C[NH+](C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000244191139 1073831619 /nfs/dbraw/zinc/83/16/19/1073831619.db2.gz VNICFCOGFQWFDX-ZDUSSCGKSA-N 1 1 393.465 -0.140 20 0 GBADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000246352949 1072293900 /nfs/dbraw/zinc/29/39/00/1072293900.db2.gz GAFURSUEFLPUGY-SQNIBIBYSA-N 1 1 398.573 -0.124 20 0 GBADMO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000246533018 1072621044 /nfs/dbraw/zinc/62/10/44/1072621044.db2.gz CHDGBJGAFBRRQQ-IKGGRYGDSA-N 1 1 386.562 -0.268 20 0 GBADMO C[C@@H]1C[C@H](N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000246533027 1072621138 /nfs/dbraw/zinc/62/11/38/1072621138.db2.gz CHDGBJGAFBRRQQ-ZACQAIPSSA-N 1 1 386.562 -0.268 20 0 GBADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H](C)C1 ZINC000247235976 1073869037 /nfs/dbraw/zinc/86/90/37/1073869037.db2.gz DDVYDSYHFYEACX-QWHCGFSZSA-N 1 1 376.461 -0.378 20 0 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C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249571513 1072976815 /nfs/dbraw/zinc/97/68/15/1072976815.db2.gz OKIUILADQCQYBN-JKSUJKDBSA-N 1 1 378.473 -0.049 20 0 GBADMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249571513 1072976800 /nfs/dbraw/zinc/97/68/00/1072976800.db2.gz OKIUILADQCQYBN-JKSUJKDBSA-N 1 1 378.473 -0.049 20 0 GBADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249735632 1073891216 /nfs/dbraw/zinc/89/12/16/1073891216.db2.gz FGIGTUPBPFVIMZ-OLZOCXBDSA-N 1 1 376.461 -0.330 20 0 GBADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249735638 1073891061 /nfs/dbraw/zinc/89/10/61/1073891061.db2.gz FGIGTUPBPFVIMZ-STQMWFEESA-N 1 1 376.461 -0.330 20 0 GBADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249747420 1073891348 /nfs/dbraw/zinc/89/13/48/1073891348.db2.gz NRFAXDXGNNBVTJ-MJBXVCDLSA-N 1 1 390.488 -0.084 20 0 GBADMO 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1073953397 /nfs/dbraw/zinc/95/33/97/1073953397.db2.gz AAYCQZOPKNTENW-CQSZACIVSA-N 1 1 378.458 -0.343 20 0 GBADMO COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261667942 530352886 /nfs/dbraw/zinc/35/28/86/530352886.db2.gz JWAWRXSOXYUNQC-JTQLQIEISA-N 1 1 388.471 -0.485 20 0 GBADMO COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261667946 530352851 /nfs/dbraw/zinc/35/28/51/530352851.db2.gz JWAWRXSOXYUNQC-SNVBAGLBSA-N 1 1 388.471 -0.485 20 0 GBADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000261687164 1073954948 /nfs/dbraw/zinc/95/49/48/1073954948.db2.gz HXWBYRANWMWSHD-CYBMUJFWSA-N 1 1 388.453 -0.368 20 0 GBADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000261687166 1073954876 /nfs/dbraw/zinc/95/48/76/1073954876.db2.gz HXWBYRANWMWSHD-ZDUSSCGKSA-N 1 1 388.453 -0.368 20 0 GBADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000261718612 530352867 /nfs/dbraw/zinc/35/28/67/530352867.db2.gz LFYHNJDQUKOPPZ-JTQLQIEISA-N 1 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Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c(=O)n2C ZINC000261752558 1073956558 /nfs/dbraw/zinc/95/65/58/1073956558.db2.gz NNORUFUUEGCIIK-CYBMUJFWSA-N 1 1 383.412 -0.998 20 0 GBADMO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c(=O)n2C ZINC000261752560 1073956263 /nfs/dbraw/zinc/95/62/63/1073956263.db2.gz NNORUFUUEGCIIK-ZDUSSCGKSA-N 1 1 383.412 -0.998 20 0 GBADMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000261797976 1073957632 /nfs/dbraw/zinc/95/76/32/1073957632.db2.gz VIMSFRCSFPTFAA-CYBMUJFWSA-N 1 1 397.439 -0.539 20 0 GBADMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000261797981 1073957692 /nfs/dbraw/zinc/95/76/92/1073957692.db2.gz VIMSFRCSFPTFAA-ZDUSSCGKSA-N 1 1 397.439 -0.539 20 0 GBADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000261823301 1073957537 /nfs/dbraw/zinc/95/75/37/1073957537.db2.gz YDSUPGGZCDXEDH-CVEARBPZSA-N 1 1 390.488 -0.926 20 0 GBADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000261823305 1073957232 /nfs/dbraw/zinc/95/72/32/1073957232.db2.gz YDSUPGGZCDXEDH-HOTGVXAUSA-N 1 1 390.488 -0.926 20 0 GBADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000261823308 1073957611 /nfs/dbraw/zinc/95/76/11/1073957611.db2.gz YDSUPGGZCDXEDH-HZPDHXFCSA-N 1 1 390.488 -0.926 20 0 GBADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000261823311 1073957445 /nfs/dbraw/zinc/95/74/45/1073957445.db2.gz YDSUPGGZCDXEDH-JKSUJKDBSA-N 1 1 390.488 -0.926 20 0 GBADMO Cn1c(=O)c2cc(C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)cnc2n(C)c1=O ZINC000261826308 1073957725 /nfs/dbraw/zinc/95/77/25/1073957725.db2.gz SPCQWLUEROSSFU-HNNXBMFYSA-N 1 1 380.408 -0.186 20 0 GBADMO Cn1c(=O)c2cc(C(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)cnc2n(C)c1=O ZINC000261826312 1073957682 /nfs/dbraw/zinc/95/76/82/1073957682.db2.gz SPCQWLUEROSSFU-OAHLLOKOSA-N 1 1 380.408 -0.186 20 0 GBADMO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261880279 1073958412 /nfs/dbraw/zinc/95/84/12/1073958412.db2.gz YLEVVHGACYMXFP-MSOLQXFVSA-N 1 1 387.484 -0.265 20 0 GBADMO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261880281 1073958399 /nfs/dbraw/zinc/95/83/99/1073958399.db2.gz YLEVVHGACYMXFP-QZTJIDSGSA-N 1 1 387.484 -0.265 20 0 GBADMO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261880284 1073958274 /nfs/dbraw/zinc/95/82/74/1073958274.db2.gz YLEVVHGACYMXFP-ROUUACIJSA-N 1 1 387.484 -0.265 20 0 GBADMO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261880286 1073959387 /nfs/dbraw/zinc/95/93/87/1073959387.db2.gz YLEVVHGACYMXFP-ZWKOTPCHSA-N 1 1 387.484 -0.265 20 0 GBADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc32)CC1 ZINC000261899477 1073959177 /nfs/dbraw/zinc/95/91/77/1073959177.db2.gz HNWNWDBUAXDWTO-DOMZBBRYSA-N 1 1 393.469 -0.227 20 0 GBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)cc1 ZINC000261900457 1073959145 /nfs/dbraw/zinc/95/91/45/1073959145.db2.gz HPIMELSMWSLBNE-CJNGLKHVSA-N 1 1 383.470 -0.095 20 0 GBADMO Cn1c(=O)c2ccc(C(=O)N3CC[NH2+]C[C@H]3c3cccnc3)nc2n(C)c1=O ZINC000261928689 1073960137 /nfs/dbraw/zinc/96/01/37/1073960137.db2.gz JKYFDLRMOPVTCW-HNNXBMFYSA-N 1 1 380.408 -0.186 20 0 GBADMO Cn1c(=O)c2ccc(C(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)nc2n(C)c1=O ZINC000261928693 1073959818 /nfs/dbraw/zinc/95/98/18/1073959818.db2.gz JKYFDLRMOPVTCW-OAHLLOKOSA-N 1 1 380.408 -0.186 20 0 GBADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000261948900 637388507 /nfs/dbraw/zinc/38/85/07/637388507.db2.gz NXWRNKKKHOXJCT-RISCZKNCSA-N 1 1 389.499 -0.238 20 0 GBADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262003023 1073960866 /nfs/dbraw/zinc/96/08/66/1073960866.db2.gz UTKVCNIANXXFKM-CJNGLKHVSA-N 1 1 383.470 -0.299 20 0 GBADMO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000262022465 1073960657 /nfs/dbraw/zinc/96/06/57/1073960657.db2.gz WSAYRBVDMQAJMR-WBMJQRKESA-N 1 1 384.454 -0.233 20 0 GBADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000262043602 1073961708 /nfs/dbraw/zinc/96/17/08/1073961708.db2.gz YWEARHHWNGCSRY-PBHICJAKSA-N 1 1 397.497 -0.158 20 0 GBADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000262093221 530460678 /nfs/dbraw/zinc/46/06/78/530460678.db2.gz DACSYGYXMFWBBD-FRRDWIJNSA-N 1 1 378.520 -0.853 20 0 GBADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000262093223 530460686 /nfs/dbraw/zinc/46/06/86/530460686.db2.gz DACSYGYXMFWBBD-JHJVBQTASA-N 1 1 378.520 -0.853 20 0 GBADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000262093225 530460527 /nfs/dbraw/zinc/46/05/27/530460527.db2.gz DACSYGYXMFWBBD-UPJWGTAASA-N 1 1 378.520 -0.853 20 0 GBADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)C[C@H](C)O1 ZINC000262093227 530460703 /nfs/dbraw/zinc/46/07/03/530460703.db2.gz DACSYGYXMFWBBD-XQQFMLRXSA-N 1 1 378.520 -0.853 20 0 GBADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000262289332 1073964156 /nfs/dbraw/zinc/96/41/56/1073964156.db2.gz OODPCVDXILKXQV-CJNGLKHVSA-N 1 1 395.481 -0.249 20 0 GBADMO O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262397540 1073966989 /nfs/dbraw/zinc/96/69/89/1073966989.db2.gz ABKLERQCYVFTDV-DLBZAZTESA-N 1 1 398.463 -0.072 20 0 GBADMO O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262397541 1073967033 /nfs/dbraw/zinc/96/70/33/1073967033.db2.gz ABKLERQCYVFTDV-IAGOWNOFSA-N 1 1 398.463 -0.072 20 0 GBADMO O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262397542 1073967020 /nfs/dbraw/zinc/96/70/20/1073967020.db2.gz ABKLERQCYVFTDV-IRXDYDNUSA-N 1 1 398.463 -0.072 20 0 GBADMO O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262397543 1073966771 /nfs/dbraw/zinc/96/67/71/1073966771.db2.gz ABKLERQCYVFTDV-SJORKVTESA-N 1 1 398.463 -0.072 20 0 GBADMO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262397556 1073966860 /nfs/dbraw/zinc/96/68/60/1073966860.db2.gz ACKUXGIGRZWKAQ-AWEZNQCLSA-N 1 1 399.451 -0.085 20 0 GBADMO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262397557 1073966915 /nfs/dbraw/zinc/96/69/15/1073966915.db2.gz ACKUXGIGRZWKAQ-CQSZACIVSA-N 1 1 399.451 -0.085 20 0 GBADMO C[C@]1(c2ccc(C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2)NC(=O)NC1=O ZINC000262475322 1073967854 /nfs/dbraw/zinc/96/78/54/1073967854.db2.gz CNPWEBPTYJGCHA-FOIQADDNSA-N 1 1 399.451 -0.222 20 0 GBADMO C[C@]1(c2ccc(C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2)NC(=O)NC1=O ZINC000262475324 1073967575 /nfs/dbraw/zinc/96/75/75/1073967575.db2.gz CNPWEBPTYJGCHA-MGPUTAFESA-N 1 1 399.451 -0.222 20 0 GBADMO C[C@@]1(c2ccc(C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2)NC(=O)NC1=O ZINC000262475327 1073967967 /nfs/dbraw/zinc/96/79/67/1073967967.db2.gz CNPWEBPTYJGCHA-QRWLVFNGSA-N 1 1 399.451 -0.222 20 0 GBADMO C[C@@]1(c2ccc(C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2)NC(=O)NC1=O ZINC000262475329 1073967915 /nfs/dbraw/zinc/96/79/15/1073967915.db2.gz CNPWEBPTYJGCHA-YWZLYKJASA-N 1 1 399.451 -0.222 20 0 GBADMO Cc1oc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000262478324 1073968731 /nfs/dbraw/zinc/96/87/31/1073968731.db2.gz CZCDLKKFCRXBMH-CYBMUJFWSA-N 1 1 398.485 -0.125 20 0 GBADMO Cc1oc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1S(=O)(=O)N(C)C ZINC000262478325 1073968528 /nfs/dbraw/zinc/96/85/28/1073968528.db2.gz CZCDLKKFCRXBMH-ZDUSSCGKSA-N 1 1 398.485 -0.125 20 0 GBADMO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262486026 1073968708 /nfs/dbraw/zinc/96/87/08/1073968708.db2.gz FJPVTRUHTPRBGK-CYBMUJFWSA-N 1 1 398.485 -0.125 20 0 GBADMO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262486028 1073968748 /nfs/dbraw/zinc/96/87/48/1073968748.db2.gz FJPVTRUHTPRBGK-ZDUSSCGKSA-N 1 1 398.485 -0.125 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(C)o1 ZINC000262488431 1073968758 /nfs/dbraw/zinc/96/87/58/1073968758.db2.gz FSIMQJJZKJRGHY-GFCCVEGCSA-N 1 1 384.458 -0.467 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)o1 ZINC000262488433 1073968435 /nfs/dbraw/zinc/96/84/35/1073968435.db2.gz FSIMQJJZKJRGHY-LBPRGKRZSA-N 1 1 384.458 -0.467 20 0 GBADMO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262494115 530353640 /nfs/dbraw/zinc/35/36/40/530353640.db2.gz YUOSZMAIJPPAPK-UHFFFAOYSA-N 1 1 399.441 -0.420 20 0 GBADMO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262500496 1073968593 /nfs/dbraw/zinc/96/85/93/1073968593.db2.gz IDKIYOLUOZJMOM-INIZCTEOSA-N 1 1 399.451 -0.225 20 0 GBADMO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262500497 1073968773 /nfs/dbraw/zinc/96/87/73/1073968773.db2.gz IDKIYOLUOZJMOM-MRXNPFEDSA-N 1 1 399.451 -0.225 20 0 GBADMO O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262512957 1073968669 /nfs/dbraw/zinc/96/86/69/1073968669.db2.gz KPOOYVWWWVJCLG-AWEZNQCLSA-N 1 1 395.485 -0.827 20 0 GBADMO O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262512964 1073968782 /nfs/dbraw/zinc/96/87/82/1073968782.db2.gz KPOOYVWWWVJCLG-CQSZACIVSA-N 1 1 395.485 -0.827 20 0 GBADMO O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262514276 530212631 /nfs/dbraw/zinc/21/26/31/530212631.db2.gz LAKDUUSDYJFHNB-GFCCVEGCSA-N 1 1 386.499 -0.551 20 0 GBADMO O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262514277 530212386 /nfs/dbraw/zinc/21/23/86/530212386.db2.gz LAKDUUSDYJFHNB-LBPRGKRZSA-N 1 1 386.499 -0.551 20 0 GBADMO O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262528572 1073969427 /nfs/dbraw/zinc/96/94/27/1073969427.db2.gz OFCZZXZVZFKHFB-INIZCTEOSA-N 1 1 399.451 -0.225 20 0 GBADMO O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262528573 1073969987 /nfs/dbraw/zinc/96/99/87/1073969987.db2.gz OFCZZXZVZFKHFB-MRXNPFEDSA-N 1 1 399.451 -0.225 20 0 GBADMO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000262540499 1073969967 /nfs/dbraw/zinc/96/99/67/1073969967.db2.gz RFOBHFNELCGTHP-AWEZNQCLSA-N 1 1 380.470 -0.369 20 0 GBADMO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000262540501 1073969513 /nfs/dbraw/zinc/96/95/13/1073969513.db2.gz RFOBHFNELCGTHP-CQSZACIVSA-N 1 1 380.470 -0.369 20 0 GBADMO O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262542246 1073969669 /nfs/dbraw/zinc/96/96/69/1073969669.db2.gz RSUXHXFSOKYDAG-HNNXBMFYSA-N 1 1 394.497 -0.222 20 0 GBADMO O=C(CCNS(=O)(=O)c1ccccc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262542247 1073969438 /nfs/dbraw/zinc/96/94/38/1073969438.db2.gz RSUXHXFSOKYDAG-OAHLLOKOSA-N 1 1 394.497 -0.222 20 0 GBADMO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262544152 1073969694 /nfs/dbraw/zinc/96/96/94/1073969694.db2.gz SGZKCJKYARWQSK-AWEZNQCLSA-N 1 1 399.451 -0.497 20 0 GBADMO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262544154 1073969726 /nfs/dbraw/zinc/96/97/26/1073969726.db2.gz SGZKCJKYARWQSK-CQSZACIVSA-N 1 1 399.451 -0.497 20 0 GBADMO COc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1OCC(N)=O ZINC000262544179 1073969447 /nfs/dbraw/zinc/96/94/47/1073969447.db2.gz SHEBRFDOJPVROW-AWEZNQCLSA-N 1 1 390.440 -0.404 20 0 GBADMO COc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1OCC(N)=O ZINC000262544182 1073969526 /nfs/dbraw/zinc/96/95/26/1073969526.db2.gz SHEBRFDOJPVROW-CQSZACIVSA-N 1 1 390.440 -0.404 20 0 GBADMO Cc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc(S(N)(=O)=O)c1C ZINC000262544993 1073969679 /nfs/dbraw/zinc/96/96/79/1073969679.db2.gz SIWHPSXGJDIZJE-HNNXBMFYSA-N 1 1 394.497 -0.013 20 0 GBADMO Cc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc(S(N)(=O)=O)c1C ZINC000262544995 1073969564 /nfs/dbraw/zinc/96/95/64/1073969564.db2.gz SIWHPSXGJDIZJE-OAHLLOKOSA-N 1 1 394.497 -0.013 20 0 GBADMO O=C(CCn1nnc2ccccc2c1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 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[NH3+]CC(F)(F)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262694978 530475594 /nfs/dbraw/zinc/47/55/94/530475594.db2.gz HLAOTJCCIQPIJF-UHFFFAOYSA-N 1 1 376.385 -0.869 20 0 GBADMO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000262714132 530475983 /nfs/dbraw/zinc/47/59/83/530475983.db2.gz QWFSMSDAPMVHRM-UHFFFAOYSA-N 1 1 378.401 -0.024 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000262722590 530476441 /nfs/dbraw/zinc/47/64/41/530476441.db2.gz WOEDNFAMVHXKMS-UHFFFAOYSA-N 1 1 376.385 -0.869 20 0 GBADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC(F)(F)C[NH3+])c1 ZINC000262726339 530476359 /nfs/dbraw/zinc/47/63/59/530476359.db2.gz ZIAVFTNBWYOQGH-UHFFFAOYSA-N 1 1 378.401 -0.506 20 0 GBADMO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]1 ZINC000262743693 530476404 /nfs/dbraw/zinc/47/64/04/530476404.db2.gz KONJMIYDGODQGT-CYBMUJFWSA-N 1 1 389.499 -0.310 20 0 GBADMO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]1 ZINC000262743695 530476378 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388.515 -0.129 20 0 GBADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264438420 530214139 /nfs/dbraw/zinc/21/41/39/530214139.db2.gz BMPMEWPXPAVDSC-VXGBXAGGSA-N 1 1 388.515 -0.129 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000264467063 530214251 /nfs/dbraw/zinc/21/42/51/530214251.db2.gz FRPXZCFGYMBSAM-JTQLQIEISA-N 1 1 396.249 -0.044 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000264467066 530214262 /nfs/dbraw/zinc/21/42/62/530214262.db2.gz FRPXZCFGYMBSAM-SNVBAGLBSA-N 1 1 396.249 -0.044 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000264496002 530213965 /nfs/dbraw/zinc/21/39/65/530213965.db2.gz JSVDCDVVQQBKDD-GFCCVEGCSA-N 1 1 388.515 -0.128 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000264496004 530214193 /nfs/dbraw/zinc/21/41/93/530214193.db2.gz JSVDCDVVQQBKDD-LBPRGKRZSA-N 1 1 388.515 -0.128 20 0 GBADMO Cn1c2c(nc1N1CCN(C[C@H]3CCCC[N@H+]3C)CC1)n(C)c(=O)[nH]c2=O 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376.504 -0.360 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000269681912 530501241 /nfs/dbraw/zinc/50/12/41/530501241.db2.gz GHZDVOPKEOJWDL-UHFFFAOYSA-N 1 1 377.488 -0.717 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000269681912 530501239 /nfs/dbraw/zinc/50/12/39/530501239.db2.gz GHZDVOPKEOJWDL-UHFFFAOYSA-N 1 1 377.488 -0.717 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000269699224 530224861 /nfs/dbraw/zinc/22/48/61/530224861.db2.gz KPIYUGLXRNIKHE-UHFFFAOYSA-N 1 1 377.488 -0.717 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000269699224 530224859 /nfs/dbraw/zinc/22/48/59/530224859.db2.gz KPIYUGLXRNIKHE-UHFFFAOYSA-N 1 1 377.488 -0.717 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000269713131 530225094 /nfs/dbraw/zinc/22/50/94/530225094.db2.gz NYBBNBRVCBMYCL-UHFFFAOYSA-N 1 1 391.515 -0.374 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000269713131 530225093 /nfs/dbraw/zinc/22/50/93/530225093.db2.gz NYBBNBRVCBMYCL-UHFFFAOYSA-N 1 1 391.515 -0.374 20 0 GBADMO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CCC[N@H+](CCO)CC1 ZINC000269721818 530225119 /nfs/dbraw/zinc/22/51/19/530225119.db2.gz PPSWXVTWWPJBOE-UHFFFAOYSA-N 1 1 391.515 -0.705 20 0 GBADMO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CCC[N@@H+](CCO)CC1 ZINC000269721818 530225118 /nfs/dbraw/zinc/22/51/18/530225118.db2.gz PPSWXVTWWPJBOE-UHFFFAOYSA-N 1 1 391.515 -0.705 20 0 GBADMO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000269742068 530225322 /nfs/dbraw/zinc/22/53/22/530225322.db2.gz VEAGQYLRCDXXAF-UHFFFAOYSA-N 1 1 391.515 -0.374 20 0 GBADMO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000269742068 530225320 /nfs/dbraw/zinc/22/53/20/530225320.db2.gz VEAGQYLRCDXXAF-UHFFFAOYSA-N 1 1 391.515 -0.374 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCCOC)c1=O ZINC000270132097 1072331962 /nfs/dbraw/zinc/33/19/62/1072331962.db2.gz SBAMBLVDJNEWIX-UHFFFAOYSA-N 1 1 396.444 -0.566 20 0 GBADMO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270821153 1072341550 /nfs/dbraw/zinc/34/15/50/1072341550.db2.gz IGLJEQSDYNTGBC-ROUUACIJSA-N 1 1 395.525 -0.284 20 0 GBADMO Cn1cc[nH+]c1N1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000270949978 1073216478 /nfs/dbraw/zinc/21/64/78/1073216478.db2.gz LHGSDKDTIMDPNZ-UHFFFAOYSA-N 1 1 380.449 -0.290 20 0 GBADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000271408542 530229736 /nfs/dbraw/zinc/22/97/36/530229736.db2.gz YIWCURHUKFNNOK-AWEZNQCLSA-N 1 1 377.488 -0.274 20 0 GBADMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000271408542 530229735 /nfs/dbraw/zinc/22/97/35/530229735.db2.gz YIWCURHUKFNNOK-AWEZNQCLSA-N 1 1 377.488 -0.274 20 0 GBADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000271408544 530229619 /nfs/dbraw/zinc/22/96/19/530229619.db2.gz YIWCURHUKFNNOK-CQSZACIVSA-N 1 1 377.488 -0.274 20 0 GBADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000271408544 530229617 /nfs/dbraw/zinc/22/96/17/530229617.db2.gz YIWCURHUKFNNOK-CQSZACIVSA-N 1 1 377.488 -0.274 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000271654186 530230034 /nfs/dbraw/zinc/23/00/34/530230034.db2.gz NBVZMUAPVARJHC-UHFFFAOYSA-N 1 1 389.250 -0.219 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000271688304 1072359080 /nfs/dbraw/zinc/35/90/80/1072359080.db2.gz DUNMOEOIDAXHIK-CYBMUJFWSA-N 1 1 398.485 -0.158 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000271688304 1072359068 /nfs/dbraw/zinc/35/90/68/1072359068.db2.gz DUNMOEOIDAXHIK-CYBMUJFWSA-N 1 1 398.485 -0.158 20 0 GBADMO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000271700886 530230008 /nfs/dbraw/zinc/23/00/08/530230008.db2.gz MNJLZIBMHDVOKD-AWEZNQCLSA-N 1 1 376.500 -0.034 20 0 GBADMO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000271700889 530230054 /nfs/dbraw/zinc/23/00/54/530230054.db2.gz MNJLZIBMHDVOKD-CQSZACIVSA-N 1 1 376.500 -0.034 20 0 GBADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 ZINC000271708401 1072359521 /nfs/dbraw/zinc/35/95/21/1072359521.db2.gz XJLSAXHTJVXAJL-UHFFFAOYSA-N 1 1 385.442 -0.117 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)[C@@H](C)C1 ZINC000271719872 1072359459 /nfs/dbraw/zinc/35/94/59/1072359459.db2.gz WPVRYXCURIPHTE-AWEZNQCLSA-N 1 1 398.485 -0.154 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)[C@@H](C)C1 ZINC000271719872 1072359450 /nfs/dbraw/zinc/35/94/50/1072359450.db2.gz WPVRYXCURIPHTE-AWEZNQCLSA-N 1 1 398.485 -0.154 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)[C@H](C)C1 ZINC000271719874 1072359396 /nfs/dbraw/zinc/35/93/96/1072359396.db2.gz WPVRYXCURIPHTE-CQSZACIVSA-N 1 1 398.485 -0.154 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)[C@H](C)C1 ZINC000271719874 1072359387 /nfs/dbraw/zinc/35/93/87/1072359387.db2.gz WPVRYXCURIPHTE-CQSZACIVSA-N 1 1 398.485 -0.154 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000271729901 1072360402 /nfs/dbraw/zinc/36/04/02/1072360402.db2.gz MSMWXDWKQKVMPH-LLVKDONJSA-N 1 1 393.444 -0.382 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000271729901 1072360394 /nfs/dbraw/zinc/36/03/94/1072360394.db2.gz MSMWXDWKQKVMPH-LLVKDONJSA-N 1 1 393.444 -0.382 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000271729902 1072360364 /nfs/dbraw/zinc/36/03/64/1072360364.db2.gz MSMWXDWKQKVMPH-NSHDSACASA-N 1 1 393.444 -0.382 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000271729902 1072360359 /nfs/dbraw/zinc/36/03/59/1072360359.db2.gz MSMWXDWKQKVMPH-NSHDSACASA-N 1 1 393.444 -0.382 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC000271730638 1072360888 /nfs/dbraw/zinc/36/08/88/1072360888.db2.gz CBAUVLOVGBHEHP-AWEZNQCLSA-N 1 1 390.440 -0.386 20 0 GBADMO COc1ccc([C@@H](CCO)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000271735669 1072360856 /nfs/dbraw/zinc/36/08/56/1072360856.db2.gz ZJKULSNNVAWKEV-CYBMUJFWSA-N 1 1 376.413 -0.429 20 0 GBADMO COc1ccc([C@H](CCO)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000271735671 1072360500 /nfs/dbraw/zinc/36/05/00/1072360500.db2.gz ZJKULSNNVAWKEV-ZDUSSCGKSA-N 1 1 376.413 -0.429 20 0 GBADMO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cn1C ZINC000271743328 1072360820 /nfs/dbraw/zinc/36/08/20/1072360820.db2.gz FTOUFCBXFXBFFO-UHFFFAOYSA-N 1 1 393.444 -0.627 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C)C1 ZINC000271746023 1072360690 /nfs/dbraw/zinc/36/06/90/1072360690.db2.gz RERRRVWJDHPRNF-CYBMUJFWSA-N 1 1 396.469 -0.420 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C)C1 ZINC000271746023 1072360678 /nfs/dbraw/zinc/36/06/78/1072360678.db2.gz RERRRVWJDHPRNF-CYBMUJFWSA-N 1 1 396.469 -0.420 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C)C1 ZINC000271746027 1072360334 /nfs/dbraw/zinc/36/03/34/1072360334.db2.gz RERRRVWJDHPRNF-ZDUSSCGKSA-N 1 1 396.469 -0.420 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C)C1 ZINC000271746027 1072360330 /nfs/dbraw/zinc/36/03/30/1072360330.db2.gz RERRRVWJDHPRNF-ZDUSSCGKSA-N 1 1 396.469 -0.420 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000271758765 1072361232 /nfs/dbraw/zinc/36/12/32/1072361232.db2.gz OOXKTARBGQQSJK-CYBMUJFWSA-N 1 1 398.485 -0.158 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000271758765 1072361215 /nfs/dbraw/zinc/36/12/15/1072361215.db2.gz OOXKTARBGQQSJK-CYBMUJFWSA-N 1 1 398.485 -0.158 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000271758766 1072361622 /nfs/dbraw/zinc/36/16/22/1072361622.db2.gz OOXKTARBGQQSJK-ZDUSSCGKSA-N 1 1 398.485 -0.158 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000271758766 1072361613 /nfs/dbraw/zinc/36/16/13/1072361613.db2.gz OOXKTARBGQQSJK-ZDUSSCGKSA-N 1 1 398.485 -0.158 20 0 GBADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000271759722 1072361438 /nfs/dbraw/zinc/36/14/38/1072361438.db2.gz MCNZVZIAMMUARM-UHFFFAOYSA-N 1 1 393.492 -0.367 20 0 GBADMO COC(=O)CC[N@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@H](C)C1 ZINC000271762934 1072361587 /nfs/dbraw/zinc/36/15/87/1072361587.db2.gz PDHFPSWDGRWSJU-LLVKDONJSA-N 1 1 378.433 -0.971 20 0 GBADMO COC(=O)CC[N@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@@H](C)C1 ZINC000271762937 1072361536 /nfs/dbraw/zinc/36/15/36/1072361536.db2.gz PDHFPSWDGRWSJU-NSHDSACASA-N 1 1 378.433 -0.971 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)[C@H](C)C1 ZINC000271764679 1072361566 /nfs/dbraw/zinc/36/15/66/1072361566.db2.gz WITSAKJMLQHWMI-GFCCVEGCSA-N 1 1 375.433 -0.115 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)[C@H](C)C1 ZINC000271764679 1072361560 /nfs/dbraw/zinc/36/15/60/1072361560.db2.gz WITSAKJMLQHWMI-GFCCVEGCSA-N 1 1 375.433 -0.115 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)[C@@H](C)C1 ZINC000271764681 1072361164 /nfs/dbraw/zinc/36/11/64/1072361164.db2.gz WITSAKJMLQHWMI-LBPRGKRZSA-N 1 1 375.433 -0.115 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)[C@@H](C)C1 ZINC000271764681 1072361151 /nfs/dbraw/zinc/36/11/51/1072361151.db2.gz WITSAKJMLQHWMI-LBPRGKRZSA-N 1 1 375.433 -0.115 20 0 GBADMO C[N@@H+]1CC=C(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000271766160 1072361368 /nfs/dbraw/zinc/36/13/68/1072361368.db2.gz AVJJPCKKXLRUJY-UHFFFAOYSA-N 1 1 392.481 -0.201 20 0 GBADMO COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000271767274 1072361732 /nfs/dbraw/zinc/36/17/32/1072361732.db2.gz UEAZHTARHLXIMA-UHFFFAOYSA-N 1 1 377.401 -0.308 20 0 GBADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)c1 ZINC000271790322 1072362430 /nfs/dbraw/zinc/36/24/30/1072362430.db2.gz HSQWRKBBBMHOFG-CYBMUJFWSA-N 1 1 382.486 -0.016 20 0 GBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)c1 ZINC000271790324 1072362090 /nfs/dbraw/zinc/36/20/90/1072362090.db2.gz HSQWRKBBBMHOFG-ZDUSSCGKSA-N 1 1 382.486 -0.016 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000271815685 1072363434 /nfs/dbraw/zinc/36/34/34/1072363434.db2.gz RKXALBXIEVDIKD-DZGCQCFKSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000271815685 1072363426 /nfs/dbraw/zinc/36/34/26/1072363426.db2.gz RKXALBXIEVDIKD-DZGCQCFKSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000271815690 1072363415 /nfs/dbraw/zinc/36/34/15/1072363415.db2.gz RKXALBXIEVDIKD-HIFRSBDPSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000271815690 1072363404 /nfs/dbraw/zinc/36/34/04/1072363404.db2.gz RKXALBXIEVDIKD-HIFRSBDPSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000271815695 1072363227 /nfs/dbraw/zinc/36/32/27/1072363227.db2.gz RKXALBXIEVDIKD-UKRRQHHQSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000271815695 1072363225 /nfs/dbraw/zinc/36/32/25/1072363225.db2.gz RKXALBXIEVDIKD-UKRRQHHQSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000271815700 1072363254 /nfs/dbraw/zinc/36/32/54/1072363254.db2.gz RKXALBXIEVDIKD-ZFWWWQNUSA-N 1 1 392.460 -0.196 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000271815700 1072363250 /nfs/dbraw/zinc/36/32/50/1072363250.db2.gz RKXALBXIEVDIKD-ZFWWWQNUSA-N 1 1 392.460 -0.196 20 0 GBADMO CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000271831336 1072363373 /nfs/dbraw/zinc/36/33/73/1072363373.db2.gz JKAQPJDEKWDNNO-HNNXBMFYSA-N 1 1 376.461 -0.314 20 0 GBADMO CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000271831338 1072363166 /nfs/dbraw/zinc/36/31/66/1072363166.db2.gz JKAQPJDEKWDNNO-OAHLLOKOSA-N 1 1 376.461 -0.314 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000271834420 1072364015 /nfs/dbraw/zinc/36/40/15/1072364015.db2.gz XKIDUOMXTXJKBF-UHFFFAOYSA-N 1 1 393.492 -0.368 20 0 GBADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)N2CCN(C(C)=O)CC2)c1 ZINC000271844259 1072363944 /nfs/dbraw/zinc/36/39/44/1072363944.db2.gz QDZIPWYHVYIXKU-CYBMUJFWSA-N 1 1 382.486 -0.064 20 0 GBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)N2CCN(C(C)=O)CC2)c1 ZINC000271844268 1072364033 /nfs/dbraw/zinc/36/40/33/1072364033.db2.gz QDZIPWYHVYIXKU-ZDUSSCGKSA-N 1 1 382.486 -0.064 20 0 GBADMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc2c(c1)CC(=O)N2C ZINC000271845988 1072364143 /nfs/dbraw/zinc/36/41/43/1072364143.db2.gz QMGBFBBWIREFQN-JTQLQIEISA-N 1 1 385.424 -0.281 20 0 GBADMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc2c(c1)CC(=O)N2C ZINC000271845991 1072363732 /nfs/dbraw/zinc/36/37/32/1072363732.db2.gz QMGBFBBWIREFQN-SNVBAGLBSA-N 1 1 385.424 -0.281 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CCOCC1 ZINC000271852638 1072364263 /nfs/dbraw/zinc/36/42/63/1072364263.db2.gz CTXWCADJRMTGAT-INIZCTEOSA-N 1 1 390.488 -0.250 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CCOCC1 ZINC000271852640 1072364126 /nfs/dbraw/zinc/36/41/26/1072364126.db2.gz CTXWCADJRMTGAT-MRXNPFEDSA-N 1 1 390.488 -0.250 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1C ZINC000271864067 1072364061 /nfs/dbraw/zinc/36/40/61/1072364061.db2.gz UQUDUWFEKVRJRP-CABCVRRESA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1C ZINC000271864067 1072364052 /nfs/dbraw/zinc/36/40/52/1072364052.db2.gz UQUDUWFEKVRJRP-CABCVRRESA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1C ZINC000271864069 1072364317 /nfs/dbraw/zinc/36/43/17/1072364317.db2.gz UQUDUWFEKVRJRP-GJZGRUSLSA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1C ZINC000271864069 1072364303 /nfs/dbraw/zinc/36/43/03/1072364303.db2.gz UQUDUWFEKVRJRP-GJZGRUSLSA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1C ZINC000271864071 1072364572 /nfs/dbraw/zinc/36/45/72/1072364572.db2.gz UQUDUWFEKVRJRP-HUUCEWRRSA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1C ZINC000271864071 1072364567 /nfs/dbraw/zinc/36/45/67/1072364567.db2.gz UQUDUWFEKVRJRP-HUUCEWRRSA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1C ZINC000271864073 1072364501 /nfs/dbraw/zinc/36/45/01/1072364501.db2.gz UQUDUWFEKVRJRP-LSDHHAIUSA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H]1C ZINC000271864073 1072364493 /nfs/dbraw/zinc/36/44/93/1072364493.db2.gz UQUDUWFEKVRJRP-LSDHHAIUSA-N 1 1 394.476 -0.339 20 0 GBADMO O=C(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000271867775 1072363995 /nfs/dbraw/zinc/36/39/95/1072363995.db2.gz FWKURJHBHQHTIG-UHFFFAOYSA-N 1 1 391.476 -0.853 20 0 GBADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC(=O)N1CCOCC1 ZINC000271877255 1072365035 /nfs/dbraw/zinc/36/50/35/1072365035.db2.gz HOCGEXBPBIFZQS-UHFFFAOYSA-N 1 1 390.488 -0.248 20 0 GBADMO C[N@@H+]1CC=C(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000271884156 1072365006 /nfs/dbraw/zinc/36/50/06/1072365006.db2.gz NNTSBFGCBAAGHM-UHFFFAOYSA-N 1 1 392.481 -0.201 20 0 GBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1=CC[N@@H+](C)CC1)CC2 ZINC000271897425 1072365270 /nfs/dbraw/zinc/36/52/70/1072365270.db2.gz OEFTUJRZDWBGSD-UHFFFAOYSA-N 1 1 392.481 -0.138 20 0 GBADMO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000271905931 1072366134 /nfs/dbraw/zinc/36/61/34/1072366134.db2.gz ZCULJKBHXBSINC-AWEZNQCLSA-N 1 1 389.456 -0.603 20 0 GBADMO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000271905933 1072366348 /nfs/dbraw/zinc/36/63/48/1072366348.db2.gz ZCULJKBHXBSINC-CQSZACIVSA-N 1 1 389.456 -0.603 20 0 GBADMO Cc1c[nH+]c(NCC(=O)N2CCOCC2)nc1NCC(=O)N1CCOCC1 ZINC000271916063 1072365873 /nfs/dbraw/zinc/36/58/73/1072365873.db2.gz SVTTTWIGCUGAEJ-UHFFFAOYSA-N 1 1 378.433 -0.674 20 0 GBADMO Cn1cc(S(=O)(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000271931910 1072366263 /nfs/dbraw/zinc/36/62/63/1072366263.db2.gz IPHPXPILIWSHIM-UHFFFAOYSA-N 1 1 395.441 -0.615 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCS(N)(=O)=O ZINC000271975181 1072367893 /nfs/dbraw/zinc/36/78/93/1072367893.db2.gz NOTVCPKZTFCMFR-UHFFFAOYSA-N 1 1 399.473 -0.507 20 0 GBADMO Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014408 1072368456 /nfs/dbraw/zinc/36/84/56/1072368456.db2.gz BHAXROKMSRBKBB-CHWSQXEVSA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014408 1072368443 /nfs/dbraw/zinc/36/84/43/1072368443.db2.gz BHAXROKMSRBKBB-CHWSQXEVSA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014410 1072368296 /nfs/dbraw/zinc/36/82/96/1072368296.db2.gz BHAXROKMSRBKBB-OLZOCXBDSA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014410 1072368281 /nfs/dbraw/zinc/36/82/81/1072368281.db2.gz BHAXROKMSRBKBB-OLZOCXBDSA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@@H+](C)[C@H]3CCCC[C@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014411 1072368536 /nfs/dbraw/zinc/36/85/36/1072368536.db2.gz BHAXROKMSRBKBB-QWHCGFSZSA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@H+](C)[C@H]3CCCC[C@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014411 1072368527 /nfs/dbraw/zinc/36/85/27/1072368527.db2.gz BHAXROKMSRBKBB-QWHCGFSZSA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@@H+](C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014413 1072368415 /nfs/dbraw/zinc/36/84/15/1072368415.db2.gz BHAXROKMSRBKBB-STQMWFEESA-N 1 1 397.501 -0.279 20 0 GBADMO Cn1c2ncn(CC[N@H+](C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)c2c(=O)n(C)c1=O ZINC000272014413 1072368400 /nfs/dbraw/zinc/36/84/00/1072368400.db2.gz BHAXROKMSRBKBB-STQMWFEESA-N 1 1 397.501 -0.279 20 0 GBADMO Cc1[nH+]ccn1CC(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000272037620 1072369562 /nfs/dbraw/zinc/36/95/62/1072369562.db2.gz KSOGESHXPQWDSL-UHFFFAOYSA-N 1 1 395.441 -0.492 20 0 GBADMO COc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000272053543 1072370301 /nfs/dbraw/zinc/37/03/01/1072370301.db2.gz ARXMWTPAVSRICJ-INIZCTEOSA-N 1 1 382.442 -0.316 20 0 GBADMO COc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000272053548 1072370315 /nfs/dbraw/zinc/37/03/15/1072370315.db2.gz ARXMWTPAVSRICJ-MRXNPFEDSA-N 1 1 382.442 -0.316 20 0 GBADMO C[NH+](C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000272118596 530129438 /nfs/dbraw/zinc/12/94/38/530129438.db2.gz PAPJKYAVGGOROJ-UHFFFAOYSA-N 1 1 389.499 -0.358 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)n(C)c1 ZINC000272194959 1072372830 /nfs/dbraw/zinc/37/28/30/1072372830.db2.gz CBSLOOWLUDJAFM-UHFFFAOYSA-N 1 1 385.490 -0.831 20 0 GBADMO Cn1c2ncn(CC[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202402 1072373756 /nfs/dbraw/zinc/37/37/56/1072373756.db2.gz FJFNYCYZNSXWBC-GXSJLCMTSA-N 1 1 375.351 -0.179 20 0 GBADMO Cn1c2ncn(CC[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202407 1072373888 /nfs/dbraw/zinc/37/38/88/1072373888.db2.gz FJFNYCYZNSXWBC-KOLCDFICSA-N 1 1 375.351 -0.179 20 0 GBADMO Cn1c2ncn(CC[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202412 1072374052 /nfs/dbraw/zinc/37/40/52/1072374052.db2.gz FJFNYCYZNSXWBC-MWLCHTKSSA-N 1 1 375.351 -0.179 20 0 GBADMO Cn1c2ncn(CC[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202417 1072374097 /nfs/dbraw/zinc/37/40/97/1072374097.db2.gz FJFNYCYZNSXWBC-ONGXEEELSA-N 1 1 375.351 -0.179 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)n(C)c1 ZINC000272203055 1072373662 /nfs/dbraw/zinc/37/36/62/1072373662.db2.gz AXAYELZGIZIETA-UHFFFAOYSA-N 1 1 380.474 -0.029 20 0 GBADMO O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000272206831 1072373946 /nfs/dbraw/zinc/37/39/46/1072373946.db2.gz IBCNPJSTHUFPEW-UHFFFAOYSA-N 1 1 375.473 -0.235 20 0 GBADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000272233923 1072374146 /nfs/dbraw/zinc/37/41/46/1072374146.db2.gz MERZLCPKBVOZQG-UHFFFAOYSA-N 1 1 387.458 -0.197 20 0 GBADMO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235782 1072373839 /nfs/dbraw/zinc/37/38/39/1072373839.db2.gz JLHPEKVROHKYRA-AEFFLSMTSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235782 1072373828 /nfs/dbraw/zinc/37/38/28/1072373828.db2.gz JLHPEKVROHKYRA-AEFFLSMTSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235787 1072374565 /nfs/dbraw/zinc/37/45/65/1072374565.db2.gz JLHPEKVROHKYRA-FUHWJXTLSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235787 1072374559 /nfs/dbraw/zinc/37/45/59/1072374559.db2.gz JLHPEKVROHKYRA-FUHWJXTLSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235791 1072375081 /nfs/dbraw/zinc/37/50/81/1072375081.db2.gz JLHPEKVROHKYRA-SJLPKXTDSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235791 1072375076 /nfs/dbraw/zinc/37/50/76/1072375076.db2.gz JLHPEKVROHKYRA-SJLPKXTDSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235795 1072374710 /nfs/dbraw/zinc/37/47/10/1072374710.db2.gz JLHPEKVROHKYRA-WMZOPIPTSA-N 1 1 386.514 -0.078 20 0 GBADMO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235795 1072374700 /nfs/dbraw/zinc/37/47/00/1072374700.db2.gz JLHPEKVROHKYRA-WMZOPIPTSA-N 1 1 386.514 -0.078 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000272272081 1072375210 /nfs/dbraw/zinc/37/52/10/1072375210.db2.gz DIAUURGUOPWUSO-UHFFFAOYSA-N 1 1 399.517 -0.489 20 0 GBADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@H]2C1 ZINC000272293773 1072375561 /nfs/dbraw/zinc/37/55/61/1072375561.db2.gz FUOZWTFSFGTCMV-HZMBPMFUSA-N 1 1 384.433 -0.036 20 0 GBADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000272294860 1072375878 /nfs/dbraw/zinc/37/58/78/1072375878.db2.gz FUOZWTFSFGTCMV-IINYFYTJSA-N 1 1 384.433 -0.036 20 0 GBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000272294866 1072375830 /nfs/dbraw/zinc/37/58/30/1072375830.db2.gz FUOZWTFSFGTCMV-QMTHXVAHSA-N 1 1 384.433 -0.036 20 0 GBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@H]2C1 ZINC000272294870 1072376012 /nfs/dbraw/zinc/37/60/12/1072376012.db2.gz FUOZWTFSFGTCMV-YGRLFVJLSA-N 1 1 384.433 -0.036 20 0 GBADMO COC(=O)CCN1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272303175 1072375604 /nfs/dbraw/zinc/37/56/04/1072375604.db2.gz UUSMUOIKWQHATP-CYBMUJFWSA-N 1 1 392.460 -0.997 20 0 GBADMO COC(=O)CCN1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272303175 1072375596 /nfs/dbraw/zinc/37/55/96/1072375596.db2.gz UUSMUOIKWQHATP-CYBMUJFWSA-N 1 1 392.460 -0.997 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272303175 1072375583 /nfs/dbraw/zinc/37/55/83/1072375583.db2.gz UUSMUOIKWQHATP-CYBMUJFWSA-N 1 1 392.460 -0.997 20 0 GBADMO COC(=O)CCN1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272303188 1072375985 /nfs/dbraw/zinc/37/59/85/1072375985.db2.gz UUSMUOIKWQHATP-ZDUSSCGKSA-N 1 1 392.460 -0.997 20 0 GBADMO COC(=O)CCN1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272303188 1072375978 /nfs/dbraw/zinc/37/59/78/1072375978.db2.gz UUSMUOIKWQHATP-ZDUSSCGKSA-N 1 1 392.460 -0.997 20 0 GBADMO COC(=O)CC[N@H+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272303188 1072375962 /nfs/dbraw/zinc/37/59/62/1072375962.db2.gz UUSMUOIKWQHATP-ZDUSSCGKSA-N 1 1 392.460 -0.997 20 0 GBADMO COCCN(C(=O)CN1CCN(C)c2[nH+]cccc21)[C@H]1CCS(=O)(=O)C1 ZINC000272307101 1072376096 /nfs/dbraw/zinc/37/60/96/1072376096.db2.gz VVXLBGGGOWOHMQ-AWEZNQCLSA-N 1 1 382.486 0.000 20 0 GBADMO COCCN(C(=O)CN1CCN(C)c2[nH+]cccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000272307103 1072376189 /nfs/dbraw/zinc/37/61/89/1072376189.db2.gz VVXLBGGGOWOHMQ-CQSZACIVSA-N 1 1 382.486 0.000 20 0 GBADMO O=C(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)NCC1CC1 ZINC000272313961 1072375645 /nfs/dbraw/zinc/37/56/45/1072375645.db2.gz SFZJHXCMGGTCLS-UHFFFAOYSA-N 1 1 375.477 -0.186 20 0 GBADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@@H]2C1 ZINC000272320248 1072375616 /nfs/dbraw/zinc/37/56/16/1072375616.db2.gz KZXMOJBDLWQIDA-DZGCQCFKSA-N 1 1 386.456 -0.491 20 0 GBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@H]2C1 ZINC000272320254 1072375545 /nfs/dbraw/zinc/37/55/45/1072375545.db2.gz KZXMOJBDLWQIDA-HIFRSBDPSA-N 1 1 386.456 -0.491 20 0 GBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@@H]2C1 ZINC000272320258 1072376613 /nfs/dbraw/zinc/37/66/13/1072376613.db2.gz KZXMOJBDLWQIDA-UKRRQHHQSA-N 1 1 386.456 -0.491 20 0 GBADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@H]2C1 ZINC000272320263 1072376962 /nfs/dbraw/zinc/37/69/62/1072376962.db2.gz KZXMOJBDLWQIDA-ZFWWWQNUSA-N 1 1 386.456 -0.491 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000272321410 1072377270 /nfs/dbraw/zinc/37/72/70/1072377270.db2.gz UCNMSUIVDOTYPT-UHFFFAOYSA-N 1 1 385.490 -0.784 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1=O ZINC000272326843 1072376927 /nfs/dbraw/zinc/37/69/27/1072376927.db2.gz MBJDTMDKQBYELJ-DZGCQCFKSA-N 1 1 390.440 -0.098 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1=O ZINC000272326846 1072376998 /nfs/dbraw/zinc/37/69/98/1072376998.db2.gz MBJDTMDKQBYELJ-HIFRSBDPSA-N 1 1 390.440 -0.098 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1=O ZINC000272326849 1072377112 /nfs/dbraw/zinc/37/71/12/1072377112.db2.gz MBJDTMDKQBYELJ-UKRRQHHQSA-N 1 1 390.440 -0.098 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1=O ZINC000272326851 1072377024 /nfs/dbraw/zinc/37/70/24/1072377024.db2.gz MBJDTMDKQBYELJ-ZFWWWQNUSA-N 1 1 390.440 -0.098 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)n(C)c1 ZINC000272349634 1072378067 /nfs/dbraw/zinc/37/80/67/1072378067.db2.gz QNLSNZGYJPVBRJ-CYBMUJFWSA-N 1 1 385.490 -0.655 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n(C)c1 ZINC000272349637 1072378145 /nfs/dbraw/zinc/37/81/45/1072378145.db2.gz QNLSNZGYJPVBRJ-ZDUSSCGKSA-N 1 1 385.490 -0.655 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)O)cc1 ZINC000272354040 1072377852 /nfs/dbraw/zinc/37/78/52/1072377852.db2.gz BEWQSUVSKXOSDN-INMHGKMJSA-N 1 1 398.529 -0.615 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)O)cc1 ZINC000272354043 1072377867 /nfs/dbraw/zinc/37/78/67/1072377867.db2.gz BEWQSUVSKXOSDN-UXLLHSPISA-N 1 1 398.529 -0.615 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](C)O)cc1 ZINC000272354047 1072378190 /nfs/dbraw/zinc/37/81/90/1072378190.db2.gz BEWQSUVSKXOSDN-VYDXJSESSA-N 1 1 398.529 -0.615 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C)O)cc1 ZINC000272354050 1072377754 /nfs/dbraw/zinc/37/77/54/1072377754.db2.gz BEWQSUVSKXOSDN-ZOBUZTSGSA-N 1 1 398.529 -0.615 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cnc21 ZINC000272389287 1072378616 /nfs/dbraw/zinc/37/86/16/1072378616.db2.gz IXJAMBXCYNJUKJ-GWCFXTLKSA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cnc21 ZINC000272389287 1072378607 /nfs/dbraw/zinc/37/86/07/1072378607.db2.gz IXJAMBXCYNJUKJ-GWCFXTLKSA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cnc21 ZINC000272389289 1072378790 /nfs/dbraw/zinc/37/87/90/1072378790.db2.gz IXJAMBXCYNJUKJ-GXFFZTMASA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cnc21 ZINC000272389289 1072378784 /nfs/dbraw/zinc/37/87/84/1072378784.db2.gz IXJAMBXCYNJUKJ-GXFFZTMASA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cnc21 ZINC000272389292 1072379847 /nfs/dbraw/zinc/37/98/47/1072379847.db2.gz IXJAMBXCYNJUKJ-MFKMUULPSA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cnc21 ZINC000272389292 1072379835 /nfs/dbraw/zinc/37/98/35/1072379835.db2.gz IXJAMBXCYNJUKJ-MFKMUULPSA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cnc21 ZINC000272389294 1072380075 /nfs/dbraw/zinc/38/00/75/1072380075.db2.gz IXJAMBXCYNJUKJ-ZWNOBZJWSA-N 1 1 379.442 -0.251 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cnc21 ZINC000272389294 1072380064 /nfs/dbraw/zinc/38/00/64/1072380064.db2.gz IXJAMBXCYNJUKJ-ZWNOBZJWSA-N 1 1 379.442 -0.251 20 0 GBADMO Cc1c[nH+]c(NCCNC(=O)c2ccn[nH]2)nc1NCCNC(=O)c1ccn[nH]1 ZINC000272406256 1072379923 /nfs/dbraw/zinc/37/99/23/1072379923.db2.gz BOROZGPZVLJMPX-UHFFFAOYSA-N 1 1 398.431 -0.085 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272411211 1072379769 /nfs/dbraw/zinc/37/97/69/1072379769.db2.gz LMHOLDMOUWOEOW-UHFFFAOYSA-N 1 1 379.465 -0.571 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000272416275 1072379473 /nfs/dbraw/zinc/37/94/73/1072379473.db2.gz ZWBMGNJVPSOJMV-UHFFFAOYSA-N 1 1 399.517 -0.442 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272421936 1072379627 /nfs/dbraw/zinc/37/96/27/1072379627.db2.gz DMACYRUJXZQOIS-AWEZNQCLSA-N 1 1 379.465 -0.619 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272421940 1072379567 /nfs/dbraw/zinc/37/95/67/1072379567.db2.gz DMACYRUJXZQOIS-CQSZACIVSA-N 1 1 379.465 -0.619 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000272434391 1072380659 /nfs/dbraw/zinc/38/06/59/1072380659.db2.gz LVYXTGMQPTUDNA-CVEARBPZSA-N 1 1 392.481 -0.029 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000272434396 1072380881 /nfs/dbraw/zinc/38/08/81/1072380881.db2.gz LVYXTGMQPTUDNA-HOTGVXAUSA-N 1 1 392.481 -0.029 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000272434399 1072380771 /nfs/dbraw/zinc/38/07/71/1072380771.db2.gz LVYXTGMQPTUDNA-HZPDHXFCSA-N 1 1 392.481 -0.029 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000272434402 1072380746 /nfs/dbraw/zinc/38/07/46/1072380746.db2.gz LVYXTGMQPTUDNA-JKSUJKDBSA-N 1 1 392.481 -0.029 20 0 GBADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272441102 1072381665 /nfs/dbraw/zinc/38/16/65/1072381665.db2.gz AHOWRTGDTVNCRU-UHFFFAOYSA-N 1 1 393.492 -0.275 20 0 GBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272441102 1072381656 /nfs/dbraw/zinc/38/16/56/1072381656.db2.gz AHOWRTGDTVNCRU-UHFFFAOYSA-N 1 1 393.492 -0.275 20 0 GBADMO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000272442140 1072381712 /nfs/dbraw/zinc/38/17/12/1072381712.db2.gz MQMIGPOWFFYMMJ-IIDMSEBBSA-N 1 1 389.500 -0.016 20 0 GBADMO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000272442152 1072381976 /nfs/dbraw/zinc/38/19/76/1072381976.db2.gz MQMIGPOWFFYMMJ-RKVPGOIHSA-N 1 1 389.500 -0.016 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000272442160 1072381765 /nfs/dbraw/zinc/38/17/65/1072381765.db2.gz MQMIGPOWFFYMMJ-RVKKMQEKSA-N 1 1 389.500 -0.016 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000272442171 1072382052 /nfs/dbraw/zinc/38/20/52/1072382052.db2.gz MQMIGPOWFFYMMJ-VKJFTORMSA-N 1 1 389.500 -0.016 20 0 GBADMO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000272467466 1072382884 /nfs/dbraw/zinc/38/28/84/1072382884.db2.gz PGWBMMANOSMVLT-GDBMZVCRSA-N 1 1 390.488 -0.620 20 0 GBADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000272467473 1072383004 /nfs/dbraw/zinc/38/30/04/1072383004.db2.gz PGWBMMANOSMVLT-GOEBONIOSA-N 1 1 390.488 -0.620 20 0 GBADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000272467479 1072382831 /nfs/dbraw/zinc/38/28/31/1072382831.db2.gz PGWBMMANOSMVLT-HOCLYGCPSA-N 1 1 390.488 -0.620 20 0 GBADMO 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AAJKPJIKJJLZGL-AWEZNQCLSA-N 1 1 385.486 -0.250 20 0 GBADMO COc1cc(C(=O)NCC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc(OC)c1OC ZINC000275104100 1072245235 /nfs/dbraw/zinc/24/52/35/1072245235.db2.gz AJMBBQUKVHMZPM-ZDUSSCGKSA-N 1 1 395.456 -0.033 20 0 GBADMO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cn(C)c(=O)n(C)c3=O)C2)cc1 ZINC000275104877 1072245469 /nfs/dbraw/zinc/24/54/69/1072245469.db2.gz DPMCVEDJYWDGMJ-UHFFFAOYSA-N 1 1 394.453 -0.745 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000275107720 1072245529 /nfs/dbraw/zinc/24/55/29/1072245529.db2.gz BRRQBTHFCJYFHL-HNNXBMFYSA-N 1 1 397.497 -0.154 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000275114009 1072248073 /nfs/dbraw/zinc/24/80/73/1072248073.db2.gz DUPQYNYLCIXXRN-INIZCTEOSA-N 1 1 390.488 -0.570 20 0 GBADMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000275122477 1072250075 /nfs/dbraw/zinc/25/00/75/1072250075.db2.gz HOEXYVVKFMONAQ-LBPRGKRZSA-N 1 1 375.429 -0.921 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@H](C)O)cc1 ZINC000275124594 1072249700 /nfs/dbraw/zinc/24/97/00/1072249700.db2.gz IKLDULJGUULZAO-UXLLHSPISA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@H](C)O)cc1 ZINC000275124595 1072250171 /nfs/dbraw/zinc/25/01/71/1072250171.db2.gz IKLDULJGUULZAO-YQQAZPJKSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@H](C)O)cc1 ZINC000275124597 1072249747 /nfs/dbraw/zinc/24/97/47/1072249747.db2.gz IKLDULJGUULZAO-ZMSDIMECSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@H](C)O)cc1 ZINC000275124599 1072250138 /nfs/dbraw/zinc/25/01/38/1072250138.db2.gz IKLDULJGUULZAO-ZOBUZTSGSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275129924 1072251030 /nfs/dbraw/zinc/25/10/30/1072251030.db2.gz KCLXASHBDAIICR-AAEUAGOBSA-N 1 1 387.506 -0.771 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275129925 1072251042 /nfs/dbraw/zinc/25/10/42/1072251042.db2.gz KCLXASHBDAIICR-WCQYABFASA-N 1 1 387.506 -0.771 20 0 GBADMO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275139089 1072252009 /nfs/dbraw/zinc/25/20/09/1072252009.db2.gz NOERXRPDXZJMGF-LBPRGKRZSA-N 1 1 388.472 -0.097 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 ZINC000275141243 1072251717 /nfs/dbraw/zinc/25/17/17/1072251717.db2.gz OJWRACWRYCIVOD-BLLLJJGKSA-N 1 1 377.420 -0.229 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 ZINC000275141244 1072251769 /nfs/dbraw/zinc/25/17/69/1072251769.db2.gz OJWRACWRYCIVOD-LRDDRELGSA-N 1 1 377.420 -0.229 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000275145949 1072252972 /nfs/dbraw/zinc/25/29/72/1072252972.db2.gz QCRFTESFNYKMOS-HNNXBMFYSA-N 1 1 397.497 -0.154 20 0 GBADMO C[NH+](C)CCN(C(=O)CNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000275152314 1072252606 /nfs/dbraw/zinc/25/26/06/1072252606.db2.gz ODLDALQXKNJCIW-AWEZNQCLSA-N 1 1 383.470 -0.301 20 0 GBADMO C[NH+](C)CCN(C(=O)CNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000275152316 1072252894 /nfs/dbraw/zinc/25/28/94/1072252894.db2.gz ODLDALQXKNJCIW-CQSZACIVSA-N 1 1 383.470 -0.301 20 0 GBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275154994 1072252769 /nfs/dbraw/zinc/25/27/69/1072252769.db2.gz UZZAXEYDBCIVIS-KBPBESRZSA-N 1 1 385.486 -0.113 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275156704 1072252796 /nfs/dbraw/zinc/25/27/96/1072252796.db2.gz VZBIUNJCKZYDBA-AWEZNQCLSA-N 1 1 385.486 -0.250 20 0 GBADMO CCN1C(=O)c2ccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2S1(=O)=O ZINC000275158979 1072253499 /nfs/dbraw/zinc/25/34/99/1072253499.db2.gz XHKIRIVRFKWDCR-LBPRGKRZSA-N 1 1 381.454 -0.010 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 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LNIWDBMKMBHMEG-VXGBXAGGSA-N 1 1 375.429 -0.841 20 0 GBADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000275224594 1072257788 /nfs/dbraw/zinc/25/77/88/1072257788.db2.gz IHMSPWOLRDZLLU-UHFFFAOYSA-N 1 1 378.477 -0.292 20 0 GBADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000275228298 1072257263 /nfs/dbraw/zinc/25/72/63/1072257263.db2.gz IXRZBLBDGTUJOZ-UHFFFAOYSA-N 1 1 392.460 -0.765 20 0 GBADMO CC(C)[NH+]1CC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000275251770 1072259462 /nfs/dbraw/zinc/25/94/62/1072259462.db2.gz PXVRWXNVBDDUAV-UHFFFAOYSA-N 1 1 380.470 -0.371 20 0 GBADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000275256401 1072259104 /nfs/dbraw/zinc/25/91/04/1072259104.db2.gz NYNBGHWKUBKCLG-UHFFFAOYSA-N 1 1 392.460 -0.765 20 0 GBADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000275271544 1072259877 /nfs/dbraw/zinc/25/98/77/1072259877.db2.gz QWLUHXIGTWWHJT-UHFFFAOYSA-N 1 1 390.440 -0.379 20 0 GBADMO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000275282898 1072263116 /nfs/dbraw/zinc/26/31/16/1072263116.db2.gz LAUKCVBFOQNBRG-NHYWBVRUSA-N 1 1 390.444 -0.681 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)c1=O ZINC000275288916 1072263603 /nfs/dbraw/zinc/26/36/03/1072263603.db2.gz VAXSPIQGGIJTBF-UHFFFAOYSA-N 1 1 378.429 -0.096 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000275293127 1072264679 /nfs/dbraw/zinc/26/46/79/1072264679.db2.gz LSURMQWNFMESMA-UHFFFAOYSA-N 1 1 392.456 -0.145 20 0 GBADMO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000275297678 1072266094 /nfs/dbraw/zinc/26/60/94/1072266094.db2.gz WKNIHAOJHMKJPX-UHFFFAOYSA-N 1 1 398.485 -0.286 20 0 GBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000275308917 1072265993 /nfs/dbraw/zinc/26/59/93/1072265993.db2.gz YLXBIVSJNWTVSA-UHFFFAOYSA-N 1 1 380.470 -0.352 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000275313848 1072266735 /nfs/dbraw/zinc/26/67/35/1072266735.db2.gz RXJXTQQTENNVRF-KBPBESRZSA-N 1 1 394.501 -0.047 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000275313852 1072267004 /nfs/dbraw/zinc/26/70/04/1072267004.db2.gz RXJXTQQTENNVRF-KGLIPLIRSA-N 1 1 394.501 -0.047 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000275315376 1072267543 /nfs/dbraw/zinc/26/75/43/1072267543.db2.gz RXJXTQQTENNVRF-UONOGXRCSA-N 1 1 394.501 -0.047 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000275315378 1072267941 /nfs/dbraw/zinc/26/79/41/1072267941.db2.gz RXJXTQQTENNVRF-ZIAGYGMSSA-N 1 1 394.501 -0.047 20 0 GBADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000275349810 1072272743 /nfs/dbraw/zinc/27/27/43/1072272743.db2.gz SCBXQRNQXYARIA-UHFFFAOYSA-N 1 1 392.456 -0.409 20 0 GBADMO CN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000275372962 1072276217 /nfs/dbraw/zinc/27/62/17/1072276217.db2.gz APNLBFGZJOPSTE-UHFFFAOYSA-N 1 1 398.485 -0.598 20 0 GBADMO CN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000275372962 1072276207 /nfs/dbraw/zinc/27/62/07/1072276207.db2.gz APNLBFGZJOPSTE-UHFFFAOYSA-N 1 1 398.485 -0.598 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275377964 1072278407 /nfs/dbraw/zinc/27/84/07/1072278407.db2.gz AAJKPJIKJJLZGL-CQSZACIVSA-N 1 1 385.486 -0.250 20 0 GBADMO COc1cc(C(=O)NCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc(OC)c1OC ZINC000275378179 1072278101 /nfs/dbraw/zinc/27/81/01/1072278101.db2.gz AJMBBQUKVHMZPM-CYBMUJFWSA-N 1 1 395.456 -0.033 20 0 GBADMO C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000275379865 1072277989 /nfs/dbraw/zinc/27/79/89/1072277989.db2.gz WQJRHKUFNPJZFO-AWEZNQCLSA-N 1 1 391.472 -0.350 20 0 GBADMO COCCNC(=O)Cn1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cn1 ZINC000275381290 1072278497 /nfs/dbraw/zinc/27/84/97/1072278497.db2.gz AFRSJIMGNRKMMP-AWEZNQCLSA-N 1 1 396.492 -0.045 20 0 GBADMO COCCNC(=O)Cn1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cn1 ZINC000275381291 1072278270 /nfs/dbraw/zinc/27/82/70/1072278270.db2.gz AFRSJIMGNRKMMP-CQSZACIVSA-N 1 1 396.492 -0.045 20 0 GBADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000275398606 1072280501 /nfs/dbraw/zinc/28/05/01/1072280501.db2.gz DUPQYNYLCIXXRN-MRXNPFEDSA-N 1 1 390.488 -0.570 20 0 GBADMO Cc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000275415049 1072281319 /nfs/dbraw/zinc/28/13/19/1072281319.db2.gz HOEXYVVKFMONAQ-GFCCVEGCSA-N 1 1 375.429 -0.921 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000275417504 1072281048 /nfs/dbraw/zinc/28/10/48/1072281048.db2.gz IDIYJIYPMBFDLS-CYBMUJFWSA-N 1 1 382.486 -0.212 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000275417507 1072281254 /nfs/dbraw/zinc/28/12/54/1072281254.db2.gz IDIYJIYPMBFDLS-ZDUSSCGKSA-N 1 1 382.486 -0.212 20 0 GBADMO C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[N@H+]1CC(C)(C)O ZINC000275417755 1072281446 /nfs/dbraw/zinc/28/14/46/1072281446.db2.gz AGPMOZNVUHSKNV-LLVKDONJSA-N 1 1 375.429 -0.049 20 0 GBADMO C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[N@@H+]1CC(C)(C)O ZINC000275417755 1072281440 /nfs/dbraw/zinc/28/14/40/1072281440.db2.gz AGPMOZNVUHSKNV-LLVKDONJSA-N 1 1 375.429 -0.049 20 0 GBADMO C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[N@H+]1CC(C)(C)O ZINC000275417759 1072281279 /nfs/dbraw/zinc/28/12/79/1072281279.db2.gz AGPMOZNVUHSKNV-NSHDSACASA-N 1 1 375.429 -0.049 20 0 GBADMO C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[N@@H+]1CC(C)(C)O ZINC000275417759 1072281271 /nfs/dbraw/zinc/28/12/71/1072281271.db2.gz AGPMOZNVUHSKNV-NSHDSACASA-N 1 1 375.429 -0.049 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(=O)N(C)C ZINC000275418081 1072281241 /nfs/dbraw/zinc/28/12/41/1072281241.db2.gz HCIFPEIEBUSBFH-HNNXBMFYSA-N 1 1 375.473 -0.482 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC(=O)N(C)C ZINC000275418085 1072281228 /nfs/dbraw/zinc/28/12/28/1072281228.db2.gz HCIFPEIEBUSBFH-OAHLLOKOSA-N 1 1 375.473 -0.482 20 0 GBADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275419973 530237296 /nfs/dbraw/zinc/23/72/96/530237296.db2.gz AFFPVAIBRKIFMZ-UHFFFAOYSA-N 1 1 379.504 -0.471 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@H](C)O)cc1 ZINC000275420231 1072281415 /nfs/dbraw/zinc/28/14/15/1072281415.db2.gz IKLDULJGUULZAO-BFYDXBDKSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@H](C)O)cc1 ZINC000275420235 1072281149 /nfs/dbraw/zinc/28/11/49/1072281149.db2.gz IKLDULJGUULZAO-HLLBOEOZSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@H](C)O)cc1 ZINC000275420241 1072281529 /nfs/dbraw/zinc/28/15/29/1072281529.db2.gz IKLDULJGUULZAO-INMHGKMJSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@H](C)O)cc1 ZINC000275420245 1072280935 /nfs/dbraw/zinc/28/09/35/1072280935.db2.gz IKLDULJGUULZAO-VYDXJSESSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275429162 1072282362 /nfs/dbraw/zinc/28/23/62/1072282362.db2.gz KCLXASHBDAIICR-DGCLKSJQSA-N 1 1 387.506 -0.771 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275429166 1072282317 /nfs/dbraw/zinc/28/23/17/1072282317.db2.gz KCLXASHBDAIICR-YPMHNXCESA-N 1 1 387.506 -0.771 20 0 GBADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C2)cc(OC)c1 ZINC000275436425 1072283353 /nfs/dbraw/zinc/28/33/53/1072283353.db2.gz POWCCKNCCWVLIE-AWEZNQCLSA-N 1 1 392.456 -0.401 20 0 GBADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C2)cc(OC)c1 ZINC000275436425 1072283349 /nfs/dbraw/zinc/28/33/49/1072283349.db2.gz POWCCKNCCWVLIE-AWEZNQCLSA-N 1 1 392.456 -0.401 20 0 GBADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C2)cc(OC)c1 ZINC000275436428 1072283368 /nfs/dbraw/zinc/28/33/68/1072283368.db2.gz POWCCKNCCWVLIE-CQSZACIVSA-N 1 1 392.456 -0.401 20 0 GBADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C2)cc(OC)c1 ZINC000275436428 1072283365 /nfs/dbraw/zinc/28/33/65/1072283365.db2.gz POWCCKNCCWVLIE-CQSZACIVSA-N 1 1 392.456 -0.401 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275444001 1072282952 /nfs/dbraw/zinc/28/29/52/1072282952.db2.gz MQONOTVUOZVYMQ-LLVKDONJSA-N 1 1 375.429 -0.049 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000275444005 1072283169 /nfs/dbraw/zinc/28/31/69/1072283169.db2.gz MQONOTVUOZVYMQ-NSHDSACASA-N 1 1 375.429 -0.049 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000275451688 1072283820 /nfs/dbraw/zinc/28/38/20/1072283820.db2.gz LCKVYHKMUVQWDG-LLVKDONJSA-N 1 1 379.461 -0.174 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000275451692 1072284283 /nfs/dbraw/zinc/28/42/83/1072284283.db2.gz LCKVYHKMUVQWDG-NSHDSACASA-N 1 1 379.461 -0.174 20 0 GBADMO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000275451721 1072283965 /nfs/dbraw/zinc/28/39/65/1072283965.db2.gz LDXJTBFMLDMXHU-OAHLLOKOSA-N 1 1 378.473 -0.098 20 0 GBADMO C[C@@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 ZINC000275455225 1072283766 /nfs/dbraw/zinc/28/37/66/1072283766.db2.gz OJWRACWRYCIVOD-MLGOLLRUSA-N 1 1 377.420 -0.229 20 0 GBADMO C[C@@H](O)C[NH+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 ZINC000275455229 1072284023 /nfs/dbraw/zinc/28/40/23/1072284023.db2.gz OJWRACWRYCIVOD-WBMJQRKESA-N 1 1 377.420 -0.229 20 0 GBADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc1 ZINC000275462111 1072284934 /nfs/dbraw/zinc/28/49/34/1072284934.db2.gz MYUUZJZIXPLQFD-UHFFFAOYSA-N 1 1 376.457 -0.066 20 0 GBADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc1 ZINC000275462111 1072284929 /nfs/dbraw/zinc/28/49/29/1072284929.db2.gz MYUUZJZIXPLQFD-UHFFFAOYSA-N 1 1 376.457 -0.066 20 0 GBADMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000275464007 1072285167 /nfs/dbraw/zinc/28/51/67/1072285167.db2.gz QCRFTESFNYKMOS-OAHLLOKOSA-N 1 1 397.497 -0.154 20 0 GBADMO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC[N@H+]1CCCOCC1 ZINC000275466097 530237741 /nfs/dbraw/zinc/23/77/41/530237741.db2.gz LBLVXELIVKNQMG-UHFFFAOYSA-N 1 1 391.515 -0.393 20 0 GBADMO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC[N@@H+]1CCCOCC1 ZINC000275466097 530237740 /nfs/dbraw/zinc/23/77/40/530237740.db2.gz LBLVXELIVKNQMG-UHFFFAOYSA-N 1 1 391.515 -0.393 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000275472213 1072285811 /nfs/dbraw/zinc/28/58/11/1072285811.db2.gz RKWYAXYCUDVXTQ-GFCCVEGCSA-N 1 1 389.456 -0.451 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000275472217 1072286101 /nfs/dbraw/zinc/28/61/01/1072286101.db2.gz RKWYAXYCUDVXTQ-LBPRGKRZSA-N 1 1 389.456 -0.451 20 0 GBADMO CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000275475593 1072285554 /nfs/dbraw/zinc/28/55/54/1072285554.db2.gz OUGFBFACLYPARO-UHFFFAOYSA-N 1 1 375.473 -0.745 20 0 GBADMO COCCO[C@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000275483418 1072285859 /nfs/dbraw/zinc/28/58/59/1072285859.db2.gz FDJHYWBWHFTUBT-AWEZNQCLSA-N 1 1 383.470 -0.040 20 0 GBADMO COCCO[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000275483418 1072285852 /nfs/dbraw/zinc/28/58/52/1072285852.db2.gz FDJHYWBWHFTUBT-AWEZNQCLSA-N 1 1 383.470 -0.040 20 0 GBADMO COCCO[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000275483423 1072287047 /nfs/dbraw/zinc/28/70/47/1072287047.db2.gz FDJHYWBWHFTUBT-CQSZACIVSA-N 1 1 383.470 -0.040 20 0 GBADMO COCCO[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000275483423 1072287033 /nfs/dbraw/zinc/28/70/33/1072287033.db2.gz FDJHYWBWHFTUBT-CQSZACIVSA-N 1 1 383.470 -0.040 20 0 GBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000275484780 1072286906 /nfs/dbraw/zinc/28/69/06/1072286906.db2.gz UZZAXEYDBCIVIS-KGLIPLIRSA-N 1 1 385.486 -0.113 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000275486298 1072286866 /nfs/dbraw/zinc/28/68/66/1072286866.db2.gz ARLSYDPDLMROKE-CYBMUJFWSA-N 1 1 376.457 -0.044 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000275486298 1072286858 /nfs/dbraw/zinc/28/68/58/1072286858.db2.gz ARLSYDPDLMROKE-CYBMUJFWSA-N 1 1 376.457 -0.044 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000275486302 1072286828 /nfs/dbraw/zinc/28/68/28/1072286828.db2.gz ARLSYDPDLMROKE-ZDUSSCGKSA-N 1 1 376.457 -0.044 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000275486302 1072286824 /nfs/dbraw/zinc/28/68/24/1072286824.db2.gz ARLSYDPDLMROKE-ZDUSSCGKSA-N 1 1 376.457 -0.044 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000275489672 1072287208 /nfs/dbraw/zinc/28/72/08/1072287208.db2.gz VZBIUNJCKZYDBA-CQSZACIVSA-N 1 1 385.486 -0.250 20 0 GBADMO CCN1C(=O)c2ccc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc2S1(=O)=O ZINC000275497484 1072287501 /nfs/dbraw/zinc/28/75/01/1072287501.db2.gz XHKIRIVRFKWDCR-GFCCVEGCSA-N 1 1 381.454 -0.010 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275501870 1072287833 /nfs/dbraw/zinc/28/78/33/1072287833.db2.gz BZOPGAVPEMOXST-GFCCVEGCSA-N 1 1 394.476 -0.207 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275501870 1072287825 /nfs/dbraw/zinc/28/78/25/1072287825.db2.gz BZOPGAVPEMOXST-GFCCVEGCSA-N 1 1 394.476 -0.207 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275501877 1072288056 /nfs/dbraw/zinc/28/80/56/1072288056.db2.gz BZOPGAVPEMOXST-LBPRGKRZSA-N 1 1 394.476 -0.207 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275501877 1072288047 /nfs/dbraw/zinc/28/80/47/1072288047.db2.gz BZOPGAVPEMOXST-LBPRGKRZSA-N 1 1 394.476 -0.207 20 0 GBADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000275511381 1072288453 /nfs/dbraw/zinc/28/84/53/1072288453.db2.gz ZWNYNHCWJRKCQA-ZBFHGGJFSA-N 1 1 392.456 -0.318 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC[N@H+]1CC(C)(C)O ZINC000275513571 1072288567 /nfs/dbraw/zinc/28/85/67/1072288567.db2.gz DDLOFLVSFCLGOR-CYBMUJFWSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC[N@@H+]1CC(C)(C)O ZINC000275513571 1072288558 /nfs/dbraw/zinc/28/85/58/1072288558.db2.gz DDLOFLVSFCLGOR-CYBMUJFWSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC[N@H+]1CC(C)(C)O ZINC000275513578 1072288785 /nfs/dbraw/zinc/28/87/85/1072288785.db2.gz DDLOFLVSFCLGOR-ZDUSSCGKSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC[N@@H+]1CC(C)(C)O ZINC000275513578 1072288777 /nfs/dbraw/zinc/28/87/77/1072288777.db2.gz DDLOFLVSFCLGOR-ZDUSSCGKSA-N 1 1 387.444 -0.096 20 0 GBADMO COCCn1c(N)c(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(=O)[nH]c1=O ZINC000275517285 1072288849 /nfs/dbraw/zinc/28/88/49/1072288849.db2.gz IQDABYJLUFGRGS-GFCCVEGCSA-N 1 1 397.476 -0.863 20 0 GBADMO COCCn1c(N)c(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000275517288 1072288905 /nfs/dbraw/zinc/28/89/05/1072288905.db2.gz IQDABYJLUFGRGS-LBPRGKRZSA-N 1 1 397.476 -0.863 20 0 GBADMO COCCC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000275522344 1072289020 /nfs/dbraw/zinc/28/90/20/1072289020.db2.gz VONPPIUDUPRFQB-UHFFFAOYSA-N 1 1 399.513 -0.150 20 0 GBADMO COCCC[N@@H+](CCO)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000275531942 1072289982 /nfs/dbraw/zinc/28/99/82/1072289982.db2.gz XJAKNUNCOBCNRX-UHFFFAOYSA-N 1 1 391.476 -0.657 20 0 GBADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC(=O)N(C)C)c2)CCO1 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MTVHHXKWMCSGAX-UHFFFAOYSA-N 1 1 382.461 -0.559 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)CC2(O)CCOCC2)c(=O)n(C)c1=O ZINC000275551302 1072292277 /nfs/dbraw/zinc/29/22/77/1072292277.db2.gz MTVHHXKWMCSGAX-UHFFFAOYSA-N 1 1 382.461 -0.559 20 0 GBADMO CCNC(=O)COc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275551721 1072292341 /nfs/dbraw/zinc/29/23/41/1072292341.db2.gz CVBYMOVGDBTPIL-UHFFFAOYSA-N 1 1 392.456 -0.022 20 0 GBADMO CCNC(=O)COc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275551721 1072292335 /nfs/dbraw/zinc/29/23/35/1072292335.db2.gz CVBYMOVGDBTPIL-UHFFFAOYSA-N 1 1 392.456 -0.022 20 0 GBADMO C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[N@H+]1CC(C)(C)O ZINC000275553356 1072292410 /nfs/dbraw/zinc/29/24/10/1072292410.db2.gz IAWHIXDUQIKZHF-CYBMUJFWSA-N 1 1 382.486 -0.212 20 0 GBADMO C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC[N@H+]1CC(C)(C)O ZINC000275553362 1072292149 /nfs/dbraw/zinc/29/21/49/1072292149.db2.gz IAWHIXDUQIKZHF-ZDUSSCGKSA-N 1 1 382.486 -0.212 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000275554001 1072292112 /nfs/dbraw/zinc/29/21/12/1072292112.db2.gz GNXSGRVKPSVARA-CYBMUJFWSA-N 1 1 394.476 -0.787 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000275554001 1072292107 /nfs/dbraw/zinc/29/21/07/1072292107.db2.gz GNXSGRVKPSVARA-CYBMUJFWSA-N 1 1 394.476 -0.787 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000275554002 1072291835 /nfs/dbraw/zinc/29/18/35/1072291835.db2.gz GNXSGRVKPSVARA-ZDUSSCGKSA-N 1 1 394.476 -0.787 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000275554002 1072291824 /nfs/dbraw/zinc/29/18/24/1072291824.db2.gz GNXSGRVKPSVARA-ZDUSSCGKSA-N 1 1 394.476 -0.787 20 0 GBADMO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275558403 1072293013 /nfs/dbraw/zinc/29/30/13/1072293013.db2.gz DYUZJZNXEHABPL-UHFFFAOYSA-N 1 1 398.485 -0.320 20 0 GBADMO 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CN(C)C(=O)CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000275561510 1072293952 /nfs/dbraw/zinc/29/39/52/1072293952.db2.gz FDVZRRGZWGJGDP-UHFFFAOYSA-N 1 1 389.500 -0.533 20 0 GBADMO CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000275564320 1072294916 /nfs/dbraw/zinc/29/49/16/1072294916.db2.gz HHGKYPLPJKVXIB-HNNXBMFYSA-N 1 1 376.457 -0.171 20 0 GBADMO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cn1 ZINC000275564974 1072295319 /nfs/dbraw/zinc/29/53/19/1072295319.db2.gz FZZUHYBZYNICTI-UHFFFAOYSA-N 1 1 395.460 -0.042 20 0 GBADMO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cn1 ZINC000275564974 1072295305 /nfs/dbraw/zinc/29/53/05/1072295305.db2.gz FZZUHYBZYNICTI-UHFFFAOYSA-N 1 1 395.460 -0.042 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000275566972 1072296635 /nfs/dbraw/zinc/29/66/35/1072296635.db2.gz HSBSSDPYIMDKCV-CYBMUJFWSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000275566972 1072296630 /nfs/dbraw/zinc/29/66/30/1072296630.db2.gz HSBSSDPYIMDKCV-CYBMUJFWSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000275566974 1072296618 /nfs/dbraw/zinc/29/66/18/1072296618.db2.gz HSBSSDPYIMDKCV-ZDUSSCGKSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000275566974 1072296612 /nfs/dbraw/zinc/29/66/12/1072296612.db2.gz HSBSSDPYIMDKCV-ZDUSSCGKSA-N 1 1 392.456 -0.207 20 0 GBADMO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275567327 1072296351 /nfs/dbraw/zinc/29/63/51/1072296351.db2.gz GGEPICVZXONUQK-UHFFFAOYSA-N 1 1 392.456 -0.069 20 0 GBADMO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275567327 1072296343 /nfs/dbraw/zinc/29/63/43/1072296343.db2.gz GGEPICVZXONUQK-UHFFFAOYSA-N 1 1 392.456 -0.069 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275568541 1072297177 /nfs/dbraw/zinc/29/71/77/1072297177.db2.gz DHKWOBCRTYADRQ-GFCCVEGCSA-N 1 1 398.485 -0.424 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275568541 1072297174 /nfs/dbraw/zinc/29/71/74/1072297174.db2.gz DHKWOBCRTYADRQ-GFCCVEGCSA-N 1 1 398.485 -0.424 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275568550 1072297026 /nfs/dbraw/zinc/29/70/26/1072297026.db2.gz DHKWOBCRTYADRQ-LBPRGKRZSA-N 1 1 398.485 -0.424 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000275568550 1072297016 /nfs/dbraw/zinc/29/70/16/1072297016.db2.gz DHKWOBCRTYADRQ-LBPRGKRZSA-N 1 1 398.485 -0.424 20 0 GBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000275572197 1072297269 /nfs/dbraw/zinc/29/72/69/1072297269.db2.gz ICKLSBPYHYDAHK-UHFFFAOYSA-N 1 1 389.500 -0.355 20 0 GBADMO CN(C)C(=O)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000275575046 1072298015 /nfs/dbraw/zinc/29/80/15/1072298015.db2.gz 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HKJNPWAIRTZSCQ-CYBMUJFWSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000275890409 1072464497 /nfs/dbraw/zinc/46/44/97/1072464497.db2.gz HKJNPWAIRTZSCQ-CYBMUJFWSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000275890411 1072464101 /nfs/dbraw/zinc/46/41/01/1072464101.db2.gz HKJNPWAIRTZSCQ-ZDUSSCGKSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000275890411 1072464095 /nfs/dbraw/zinc/46/40/95/1072464095.db2.gz HKJNPWAIRTZSCQ-ZDUSSCGKSA-N 1 1 392.456 -0.207 20 0 GBADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275893946 1072465233 /nfs/dbraw/zinc/46/52/33/1072465233.db2.gz FZBDKBMYEGOHNU-UHFFFAOYSA-N 1 1 377.445 -0.064 20 0 GBADMO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000275899036 1072466922 /nfs/dbraw/zinc/46/69/22/1072466922.db2.gz IYRKZWNYEVHCOR-GFCCVEGCSA-N 1 1 395.460 -0.161 20 0 GBADMO 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RPTOZHZCSOOIHQ-AWEZNQCLSA-N 1 1 383.474 -0.193 20 0 GBADMO CNS(=O)(=O)CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000275935318 1072485074 /nfs/dbraw/zinc/48/50/74/1072485074.db2.gz RPTOZHZCSOOIHQ-CQSZACIVSA-N 1 1 383.474 -0.193 20 0 GBADMO CNS(=O)(=O)CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000275935318 1072485072 /nfs/dbraw/zinc/48/50/72/1072485072.db2.gz RPTOZHZCSOOIHQ-CQSZACIVSA-N 1 1 383.474 -0.193 20 0 GBADMO CNS(=O)(=O)CCNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000275940059 1072486710 /nfs/dbraw/zinc/48/67/10/1072486710.db2.gz IDLOISVTTNUEER-UHFFFAOYSA-N 1 1 397.545 -0.005 20 0 GBADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H](C)O1 ZINC000275942107 1072487522 /nfs/dbraw/zinc/48/75/22/1072487522.db2.gz XJTTXKRNKSESOH-GUTXKFCHSA-N 1 1 392.460 -0.593 20 0 GBADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H](C)O1 ZINC000275942107 1072487517 /nfs/dbraw/zinc/48/75/17/1072487517.db2.gz XJTTXKRNKSESOH-GUTXKFCHSA-N 1 1 392.460 -0.593 20 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C[C@H](CO)N(C[C@H](C)O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000275975745 1072494375 /nfs/dbraw/zinc/49/43/75/1072494375.db2.gz BTFQHCHUGFPHQZ-CVEARBPZSA-N 1 1 380.493 -0.238 20 0 GBADMO C[C@H](O)CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](C)CO ZINC000275975748 1072493833 /nfs/dbraw/zinc/49/38/33/1072493833.db2.gz BTFQHCHUGFPHQZ-HOTGVXAUSA-N 1 1 380.493 -0.238 20 0 GBADMO C[C@@H](O)CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H](C)CO ZINC000275975751 1072494331 /nfs/dbraw/zinc/49/43/31/1072494331.db2.gz BTFQHCHUGFPHQZ-HZPDHXFCSA-N 1 1 380.493 -0.238 20 0 GBADMO C[C@@H](O)CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](C)CO ZINC000275975753 1072494432 /nfs/dbraw/zinc/49/44/32/1072494432.db2.gz BTFQHCHUGFPHQZ-JKSUJKDBSA-N 1 1 380.493 -0.238 20 0 GBADMO COc1ncc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1C(N)=O ZINC000275978711 1072495318 /nfs/dbraw/zinc/49/53/18/1072495318.db2.gz VRMPWTBFYULZIN-LLVKDONJSA-N 1 1 393.444 -0.569 20 0 GBADMO COc1ncc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1C(N)=O 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XXZOXVKETDMRJD-GOSISDBHSA-N 1 1 379.461 -0.574 20 0 GBADMO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000281317193 1073419110 /nfs/dbraw/zinc/41/91/10/1073419110.db2.gz XXZOXVKETDMRJD-GOSISDBHSA-N 1 1 379.461 -0.574 20 0 GBADMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000281317197 1073418750 /nfs/dbraw/zinc/41/87/50/1073418750.db2.gz XXZOXVKETDMRJD-SFHVURJKSA-N 1 1 379.461 -0.574 20 0 GBADMO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000281317197 1073418747 /nfs/dbraw/zinc/41/87/47/1073418747.db2.gz XXZOXVKETDMRJD-SFHVURJKSA-N 1 1 379.461 -0.574 20 0 GBADMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCCO1 ZINC000281331463 1073418847 /nfs/dbraw/zinc/41/88/47/1073418847.db2.gz WCUHMNFDKUNTKO-FHLIZLRMSA-N 1 1 393.488 -0.065 20 0 GBADMO C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCCO1 ZINC000281331469 1073418939 /nfs/dbraw/zinc/41/89/39/1073418939.db2.gz WCUHMNFDKUNTKO-JCGIZDLHSA-N 1 1 393.488 -0.065 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281363148 1073421129 /nfs/dbraw/zinc/42/11/29/1073421129.db2.gz OAAVXPYNNISDTF-HIFRSBDPSA-N 1 1 396.469 -0.577 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281363148 1073421123 /nfs/dbraw/zinc/42/11/23/1073421123.db2.gz OAAVXPYNNISDTF-HIFRSBDPSA-N 1 1 396.469 -0.577 20 0 GBADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@H]3NC(=O)OC[C@H]3C1)c(=O)n2C ZINC000281426673 1073425447 /nfs/dbraw/zinc/42/54/47/1073425447.db2.gz SCIYPSSGDFXFEJ-NEPJUHHUSA-N 1 1 376.417 -0.746 20 0 GBADMO C[NH+](C)Cc1cc(NC(=O)C(=O)NCCN2CCNC(=O)C2)ccc1Cl ZINC000281468348 1073427217 /nfs/dbraw/zinc/42/72/17/1073427217.db2.gz OGRHLSZOJIZFHJ-UHFFFAOYSA-N 1 1 381.864 -0.112 20 0 GBADMO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281507450 1073428180 /nfs/dbraw/zinc/42/81/80/1073428180.db2.gz YLNJLVQZGLCVHL-HIFRSBDPSA-N 1 1 376.413 -0.403 20 0 GBADMO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281507450 1073428172 /nfs/dbraw/zinc/42/81/72/1073428172.db2.gz YLNJLVQZGLCVHL-HIFRSBDPSA-N 1 1 376.413 -0.403 20 0 GBADMO Cn1cc([C@H]2[C@H](C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)OCC(=O)N2C)cn1 ZINC000281515455 1073430580 /nfs/dbraw/zinc/43/05/80/1073430580.db2.gz IVGIDVMQULZBKN-BPQIPLTHSA-N 1 1 393.488 -0.329 20 0 GBADMO Cn1cc([C@H]2[C@H](C(=O)NCCCC[N@H+]3CCC[C@H]3CO)OCC(=O)N2C)cn1 ZINC000281515457 1073430201 /nfs/dbraw/zinc/43/02/01/1073430201.db2.gz IVGIDVMQULZBKN-RYQLBKOJSA-N 1 1 393.488 -0.329 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000281523570 1073430411 /nfs/dbraw/zinc/43/04/11/1073430411.db2.gz JIAXIFYBDCIVNV-HNNXBMFYSA-N 1 1 398.460 -0.148 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000281523574 1073430471 /nfs/dbraw/zinc/43/04/71/1073430471.db2.gz JIAXIFYBDCIVNV-OAHLLOKOSA-N 1 1 398.460 -0.148 20 0 GBADMO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000281524365 1073430503 /nfs/dbraw/zinc/43/05/03/1073430503.db2.gz CAGJCTGYSMVIGJ-CABCVRRESA-N 1 1 375.477 -0.188 20 0 GBADMO C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000281524370 1073430464 /nfs/dbraw/zinc/43/04/64/1073430464.db2.gz CAGJCTGYSMVIGJ-GJZGRUSLSA-N 1 1 375.477 -0.188 20 0 GBADMO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000281524376 1073430612 /nfs/dbraw/zinc/43/06/12/1073430612.db2.gz CAGJCTGYSMVIGJ-HUUCEWRRSA-N 1 1 375.477 -0.188 20 0 GBADMO C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000281524381 1073430398 /nfs/dbraw/zinc/43/03/98/1073430398.db2.gz CAGJCTGYSMVIGJ-LSDHHAIUSA-N 1 1 375.477 -0.188 20 0 GBADMO C[N@@H+](CCCO)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000281527146 1073430290 /nfs/dbraw/zinc/43/02/90/1073430290.db2.gz CGQHWVFZGDJVEX-KRWDZBQOSA-N 1 1 377.441 -0.189 20 0 GBADMO C[N@@H+](CCCO)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000281527149 1073430344 /nfs/dbraw/zinc/43/03/44/1073430344.db2.gz CGQHWVFZGDJVEX-QGZVFWFLSA-N 1 1 377.441 -0.189 20 0 GBADMO Cc1oc(S(N)(=O)=O)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000281527930 1073430181 /nfs/dbraw/zinc/43/01/81/1073430181.db2.gz JMWFFGRJOJXYBV-CYBMUJFWSA-N 1 1 386.474 -0.092 20 0 GBADMO Cc1oc(S(N)(=O)=O)cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000281527948 1073430364 /nfs/dbraw/zinc/43/03/64/1073430364.db2.gz JMWFFGRJOJXYBV-ZDUSSCGKSA-N 1 1 386.474 -0.092 20 0 GBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000281541772 1073431072 /nfs/dbraw/zinc/43/10/72/1073431072.db2.gz KNJFQSLAXASFTN-BHYGNILZSA-N 1 1 379.461 -0.767 20 0 GBADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000281541773 1073431449 /nfs/dbraw/zinc/43/14/49/1073431449.db2.gz KNJFQSLAXASFTN-HYVNUMGLSA-N 1 1 379.461 -0.767 20 0 GBADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000281552907 530245945 /nfs/dbraw/zinc/24/59/45/530245945.db2.gz TWRVXSMEFBYKJL-UHFFFAOYSA-N 1 1 385.471 -0.271 20 0 GBADMO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000281566287 1073434613 /nfs/dbraw/zinc/43/46/13/1073434613.db2.gz LYYAXUPENBUJFV-CYBMUJFWSA-N 1 1 384.458 -0.386 20 0 GBADMO Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000281566293 1073434770 /nfs/dbraw/zinc/43/47/70/1073434770.db2.gz LYYAXUPENBUJFV-ZDUSSCGKSA-N 1 1 384.458 -0.386 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@H](C)C1 ZINC000281570417 1073436887 /nfs/dbraw/zinc/43/68/87/1073436887.db2.gz VLNUSHBVKUXKEL-CABCVRRESA-N 1 1 396.513 -0.157 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@@H](C)C1 ZINC000281570425 1073436302 /nfs/dbraw/zinc/43/63/02/1073436302.db2.gz VLNUSHBVKUXKEL-GJZGRUSLSA-N 1 1 396.513 -0.157 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@H](C)C1 ZINC000281570434 1073436772 /nfs/dbraw/zinc/43/67/72/1073436772.db2.gz VLNUSHBVKUXKEL-HUUCEWRRSA-N 1 1 396.513 -0.157 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)[C@@H](C)C1 ZINC000281570443 1073436865 /nfs/dbraw/zinc/43/68/65/1073436865.db2.gz VLNUSHBVKUXKEL-LSDHHAIUSA-N 1 1 396.513 -0.157 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281594944 1073436846 /nfs/dbraw/zinc/43/68/46/1073436846.db2.gz NXKFTZNOJRLFSN-PPYMECGQSA-N 1 1 380.470 -0.197 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281594946 1073436883 /nfs/dbraw/zinc/43/68/83/1073436883.db2.gz NXKFTZNOJRLFSN-RZIFZGNASA-N 1 1 380.470 -0.197 20 0 GBADMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629630 1073438845 /nfs/dbraw/zinc/43/88/45/1073438845.db2.gz PZHDTUKJBVSOPX-CHWSQXEVSA-N 1 1 389.456 -0.532 20 0 GBADMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629630 1073438831 /nfs/dbraw/zinc/43/88/31/1073438831.db2.gz PZHDTUKJBVSOPX-CHWSQXEVSA-N 1 1 389.456 -0.532 20 0 GBADMO 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Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629653 1073438805 /nfs/dbraw/zinc/43/88/05/1073438805.db2.gz PZHDTUKJBVSOPX-STQMWFEESA-N 1 1 389.456 -0.532 20 0 GBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281636022 1073438892 /nfs/dbraw/zinc/43/88/92/1073438892.db2.gz QUJALPYRVNFRMI-INIZCTEOSA-N 1 1 399.513 -0.172 20 0 GBADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281636025 1073438715 /nfs/dbraw/zinc/43/87/15/1073438715.db2.gz QUJALPYRVNFRMI-MRXNPFEDSA-N 1 1 399.513 -0.172 20 0 GBADMO Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4[nH+]ccn4C)CC3)OCC(=O)N2C)cn1 ZINC000281640006 1073439780 /nfs/dbraw/zinc/43/97/80/1073439780.db2.gz QZZBRCVANMHDDX-JKSUJKDBSA-N 1 1 387.444 -0.599 20 0 GBADMO Cn1c(=O)c2cc(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cnc2n(C)c1=O ZINC000281651861 1073439753 /nfs/dbraw/zinc/43/97/53/1073439753.db2.gz BPOVOMKRURBJHA-UHFFFAOYSA-N 1 1 388.472 -0.612 20 0 GBADMO 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ZINC000281683845 1073442345 /nfs/dbraw/zinc/44/23/45/1073442345.db2.gz URXJQJDDYIDMSZ-OXJNMPFZSA-N 1 1 390.484 -0.327 20 0 GBADMO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000281683857 1073442697 /nfs/dbraw/zinc/44/26/97/1073442697.db2.gz URXJQJDDYIDMSZ-OXQOHEQNSA-N 1 1 390.484 -0.327 20 0 GBADMO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000281683867 1073442436 /nfs/dbraw/zinc/44/24/36/1073442436.db2.gz URXJQJDDYIDMSZ-UZLBHIALSA-N 1 1 390.484 -0.327 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)[C@H](C)C1 ZINC000281686088 1073442790 /nfs/dbraw/zinc/44/27/90/1073442790.db2.gz VADPLIIPMBGOKB-CABCVRRESA-N 1 1 399.513 -0.174 20 0 GBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)[C@H](C)C1 ZINC000281686088 1073442786 /nfs/dbraw/zinc/44/27/86/1073442786.db2.gz VADPLIIPMBGOKB-CABCVRRESA-N 1 1 399.513 -0.174 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)[C@@H](C)C1 ZINC000281686089 1073442687 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380.470 -0.373 20 0 GBADMO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000281763596 1072646508 /nfs/dbraw/zinc/64/65/08/1072646508.db2.gz YZKAEZQYWMBQBD-IBGZPJMESA-N 1 1 378.473 -0.470 20 0 GBADMO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000281763615 1073447367 /nfs/dbraw/zinc/44/73/67/1073447367.db2.gz YZKAEZQYWMBQBD-LJQANCHMSA-N 1 1 378.473 -0.470 20 0 GBADMO Cn1cc([C@H]2[C@H](C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)OCC(=O)N2C)cn1 ZINC000281770212 1073448917 /nfs/dbraw/zinc/44/89/17/1073448917.db2.gz MBZMTNXBJFQGFA-DLBZAZTESA-N 1 1 392.504 -0.539 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281774754 1073447796 /nfs/dbraw/zinc/44/77/96/1073447796.db2.gz ZTHZLRXPCUTZIW-AWEZNQCLSA-N 1 1 385.486 -0.562 20 0 GBADMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281774773 1073447911 /nfs/dbraw/zinc/44/79/11/1073447911.db2.gz ZTHZLRXPCUTZIW-CQSZACIVSA-N 1 1 385.486 -0.562 20 0 GBADMO 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1073448897 /nfs/dbraw/zinc/44/88/97/1073448897.db2.gz JQSCPCBCVXISON-QZTJIDSGSA-N 1 1 390.484 -0.186 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H](CO)Cc1ccncc1 ZINC000281798978 1073448721 /nfs/dbraw/zinc/44/87/21/1073448721.db2.gz JQSCPCBCVXISON-ROUUACIJSA-N 1 1 390.484 -0.186 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H](CO)Cc1ccncc1 ZINC000281798988 1073448661 /nfs/dbraw/zinc/44/86/61/1073448661.db2.gz JQSCPCBCVXISON-ZWKOTPCHSA-N 1 1 390.484 -0.186 20 0 GBADMO COCCn1cc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 ZINC000281837998 1073452220 /nfs/dbraw/zinc/45/22/20/1073452220.db2.gz WGSLMLLUOLWIJV-KRWDZBQOSA-N 1 1 393.488 -0.141 20 0 GBADMO COCCn1cc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cn1 ZINC000281837999 1073452204 /nfs/dbraw/zinc/45/22/04/1073452204.db2.gz WGSLMLLUOLWIJV-QGZVFWFLSA-N 1 1 393.488 -0.141 20 0 GBADMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)CCCO)c(=O)[nH]c1=O ZINC000281845854 1073451830 /nfs/dbraw/zinc/45/18/30/1073451830.db2.gz NEYQWLPZPDHSSJ-UHFFFAOYSA-N 1 1 385.465 -0.375 20 0 GBADMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)CCCO)c(=O)[nH]c1=O ZINC000281845854 1073451823 /nfs/dbraw/zinc/45/18/23/1073451823.db2.gz NEYQWLPZPDHSSJ-UHFFFAOYSA-N 1 1 385.465 -0.375 20 0 GBADMO COc1cc2c(cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1)OCC(=O)N2 ZINC000281852558 1073453078 /nfs/dbraw/zinc/45/30/78/1073453078.db2.gz YLYKSVXBSMYAKL-UHFFFAOYSA-N 1 1 385.442 -0.285 20 0 GBADMO COc1cc2c(cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1)OCC(=O)N2 ZINC000281852558 1073453073 /nfs/dbraw/zinc/45/30/73/1073453073.db2.gz YLYKSVXBSMYAKL-UHFFFAOYSA-N 1 1 385.442 -0.285 20 0 GBADMO COc1cccc(COC[C@H](O)C[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000281894473 1073455176 /nfs/dbraw/zinc/45/51/76/1073455176.db2.gz BDBIKTXGFPJYHL-AEFFLSMTSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@H](O)C[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000281894473 1073455174 /nfs/dbraw/zinc/45/51/74/1073455174.db2.gz BDBIKTXGFPJYHL-AEFFLSMTSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@@H](O)C[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000281894477 1073455321 /nfs/dbraw/zinc/45/53/21/1073455321.db2.gz BDBIKTXGFPJYHL-FUHWJXTLSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@@H](O)C[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000281894477 1073455316 /nfs/dbraw/zinc/45/53/16/1073455316.db2.gz BDBIKTXGFPJYHL-FUHWJXTLSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@H](O)C[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000281894481 1073455054 /nfs/dbraw/zinc/45/50/54/1073455054.db2.gz BDBIKTXGFPJYHL-SJLPKXTDSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@H](O)C[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000281894481 1073455048 /nfs/dbraw/zinc/45/50/48/1073455048.db2.gz BDBIKTXGFPJYHL-SJLPKXTDSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@@H](O)C[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000281894486 1073454889 /nfs/dbraw/zinc/45/48/89/1073454889.db2.gz BDBIKTXGFPJYHL-WMZOPIPTSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1cccc(COC[C@@H](O)C[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000281894486 1073454883 /nfs/dbraw/zinc/45/48/83/1073454883.db2.gz BDBIKTXGFPJYHL-WMZOPIPTSA-N 1 1 381.473 -0.309 20 0 GBADMO C[N@H+]1CCN(CCNC(=O)CCNS(=O)(=O)c2cccnc2)CC1(C)C ZINC000281908649 1073456144 /nfs/dbraw/zinc/45/61/44/1073456144.db2.gz ZTTSVJXSVFZBNV-UHFFFAOYSA-N 1 1 383.518 -0.108 20 0 GBADMO C[N@H+]1CCN(CCNC(=O)CNC2=NS(=O)(=O)c3ccccc32)CC1(C)C ZINC000281910451 1073456305 /nfs/dbraw/zinc/45/63/05/1073456305.db2.gz ZZLGOQWQJZRCOI-UHFFFAOYSA-N 1 1 393.513 -0.133 20 0 GBADMO COCCN(C(=O)C[N@@H+](C)CCCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000281911190 1072649399 /nfs/dbraw/zinc/64/93/99/1072649399.db2.gz RFWDZJGEHXXYSA-UHFFFAOYSA-N 1 1 385.465 -0.519 20 0 GBADMO COCCN(C(=O)C[N@H+](C)CCCO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000281911190 1072649397 /nfs/dbraw/zinc/64/93/97/1072649397.db2.gz RFWDZJGEHXXYSA-UHFFFAOYSA-N 1 1 385.465 -0.519 20 0 GBADMO CC[N@@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000281927110 1073457131 /nfs/dbraw/zinc/45/71/31/1073457131.db2.gz CZNIQXHQCQZCBR-UHFFFAOYSA-N 1 1 399.513 -0.150 20 0 GBADMO CC[N@@H+](CCOCCO)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000281952668 1073458951 /nfs/dbraw/zinc/45/89/51/1073458951.db2.gz FPSQRFZAKAIIQV-UHFFFAOYSA-N 1 1 391.476 -0.657 20 0 GBADMO CC[N@H+]1CCC[C@H]1CNC(=C1C(=O)N(C)C(=O)N(C)C1=O)[C@@H](F)C(=O)OC ZINC000281952880 1073459197 /nfs/dbraw/zinc/45/91/97/1073459197.db2.gz JSSREAFKXOBABG-CMPLNLGQSA-N 1 1 384.408 -0.124 20 0 GBADMO CC[N@H+]1CCC[C@H]1CNC(=C1C(=O)N(C)C(=O)N(C)C1=O)[C@H](F)C(=O)OC ZINC000281952888 1073459447 /nfs/dbraw/zinc/45/94/47/1073459447.db2.gz JSSREAFKXOBABG-JQWIXIFHSA-N 1 1 384.408 -0.124 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CNC(=C1C(=O)N(C)C(=O)N(C)C1=O)[C@H](F)C(=O)OC ZINC000281952894 1073459237 /nfs/dbraw/zinc/45/92/37/1073459237.db2.gz JSSREAFKXOBABG-PWSUYJOCSA-N 1 1 384.408 -0.124 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CNC(=C1C(=O)N(C)C(=O)N(C)C1=O)[C@@H](F)C(=O)OC ZINC000281952905 1073459417 /nfs/dbraw/zinc/45/94/17/1073459417.db2.gz JSSREAFKXOBABG-ZYHUDNBSSA-N 1 1 384.408 -0.124 20 0 GBADMO CC[N@@H+](CCOCCO)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000281971414 1073461345 /nfs/dbraw/zinc/46/13/45/1073461345.db2.gz GWUCKEDADMFLQJ-UHFFFAOYSA-N 1 1 387.502 -0.286 20 0 GBADMO COc1ccccc1COC[C@@H](O)C[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000281971450 1073460968 /nfs/dbraw/zinc/46/09/68/1073460968.db2.gz GXYREAHUWIOMRV-DLBZAZTESA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000281971450 1073460959 /nfs/dbraw/zinc/46/09/59/1073460959.db2.gz GXYREAHUWIOMRV-DLBZAZTESA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@H](O)C[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000281971451 1073461489 /nfs/dbraw/zinc/46/14/89/1073461489.db2.gz GXYREAHUWIOMRV-IAGOWNOFSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@H](O)C[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000281971451 1073461483 /nfs/dbraw/zinc/46/14/83/1073461483.db2.gz GXYREAHUWIOMRV-IAGOWNOFSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@@H](O)C[N@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000281971452 1073461462 /nfs/dbraw/zinc/46/14/62/1073461462.db2.gz GXYREAHUWIOMRV-IRXDYDNUSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000281971452 1073461456 /nfs/dbraw/zinc/46/14/56/1073461456.db2.gz GXYREAHUWIOMRV-IRXDYDNUSA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@H](O)C[N@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000281971453 1073461423 /nfs/dbraw/zinc/46/14/23/1073461423.db2.gz GXYREAHUWIOMRV-SJORKVTESA-N 1 1 381.473 -0.309 20 0 GBADMO COc1ccccc1COC[C@H](O)C[N@@H+]1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000281971453 1073461420 /nfs/dbraw/zinc/46/14/20/1073461420.db2.gz GXYREAHUWIOMRV-SJORKVTESA-N 1 1 381.473 -0.309 20 0 GBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281972045 1073461604 /nfs/dbraw/zinc/46/16/04/1073461604.db2.gz BOIXFLBOZYCOSP-KBPBESRZSA-N 1 1 393.488 -0.718 20 0 GBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000281972045 1073461602 /nfs/dbraw/zinc/46/16/02/1073461602.db2.gz BOIXFLBOZYCOSP-KBPBESRZSA-N 1 1 393.488 -0.718 20 0 GBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000281972045 1073461601 /nfs/dbraw/zinc/46/16/01/1073461601.db2.gz BOIXFLBOZYCOSP-KBPBESRZSA-N 1 1 393.488 -0.718 20 0 GBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281972049 1073461222 /nfs/dbraw/zinc/46/12/22/1073461222.db2.gz BOIXFLBOZYCOSP-KGLIPLIRSA-N 1 1 393.488 -0.718 20 0 GBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000281972049 1073461216 /nfs/dbraw/zinc/46/12/16/1073461216.db2.gz BOIXFLBOZYCOSP-KGLIPLIRSA-N 1 1 393.488 -0.718 20 0 GBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000281972049 1073461211 /nfs/dbraw/zinc/46/12/11/1073461211.db2.gz BOIXFLBOZYCOSP-KGLIPLIRSA-N 1 1 393.488 -0.718 20 0 GBADMO COC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000281993747 1073482136 /nfs/dbraw/zinc/48/21/36/1073482136.db2.gz UWOUTUJJQZPJEK-UHFFFAOYSA-N 1 1 399.469 -0.076 20 0 GBADMO Cc1ccc(NC(=O)CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000281994932 1073492071 /nfs/dbraw/zinc/49/20/71/1073492071.db2.gz ILOWSKVNDNYGMK-KBPBESRZSA-N 1 1 384.502 -0.032 20 0 GBADMO Cc1ccc(NC(=O)CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000281994935 1073491720 /nfs/dbraw/zinc/49/17/20/1073491720.db2.gz ILOWSKVNDNYGMK-KGLIPLIRSA-N 1 1 384.502 -0.032 20 0 GBADMO Cc1ccc(NC(=O)CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1S(N)(=O)=O ZINC000281994938 1073492129 /nfs/dbraw/zinc/49/21/29/1073492129.db2.gz ILOWSKVNDNYGMK-UONOGXRCSA-N 1 1 384.502 -0.032 20 0 GBADMO Cc1ccc(NC(=O)CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1S(N)(=O)=O ZINC000281994942 1073493083 /nfs/dbraw/zinc/49/30/83/1073493083.db2.gz ILOWSKVNDNYGMK-ZIAGYGMSSA-N 1 1 384.502 -0.032 20 0 GBADMO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+](C)CCCOC ZINC000282003265 530247092 /nfs/dbraw/zinc/24/70/92/530247092.db2.gz RYDUGPSTBLLEND-UHFFFAOYSA-N 1 1 379.504 -0.159 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282019751 1073574956 /nfs/dbraw/zinc/57/49/56/1073574956.db2.gz OJLYKKZZYQPNBS-UHFFFAOYSA-N 1 1 393.492 -0.368 20 0 GBADMO C[N@@H+](CCCO)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000282021638 1073650358 /nfs/dbraw/zinc/65/03/58/1073650358.db2.gz YQKYJMVLDPHADJ-UHFFFAOYSA-N 1 1 385.486 -0.362 20 0 GBADMO CCN(CCOCCO)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000282025570 1073727404 /nfs/dbraw/zinc/72/74/04/1073727404.db2.gz DTIIYDOGJWFPLH-UHFFFAOYSA-N 1 1 380.445 -0.017 20 0 GBADMO C[N@@H+](CCCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000282033611 1073793294 /nfs/dbraw/zinc/79/32/94/1073793294.db2.gz ZJGSMHFRRUUWGJ-UHFFFAOYSA-N 1 1 385.486 -0.362 20 0 GBADMO CC[N@@H+](CCOCCO)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000282034567 1073813420 /nfs/dbraw/zinc/81/34/20/1073813420.db2.gz LDMIWWIHOPRGTR-AWEZNQCLSA-N 1 1 387.502 -0.288 20 0 GBADMO 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CC(C)OCCS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330626740 530275960 /nfs/dbraw/zinc/27/59/60/530275960.db2.gz JJIUGACXBLWIEM-UHFFFAOYSA-N 1 1 376.523 -0.867 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330631999 1073152436 /nfs/dbraw/zinc/15/24/36/1073152436.db2.gz GZWMRYQEJGSIOG-OUCADQQQSA-N 1 1 388.490 -0.128 20 0 GBADMO CN(C(=O)CNC(=O)C(C)(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330641956 1073150517 /nfs/dbraw/zinc/15/05/17/1073150517.db2.gz DRXVNKXYGKLDHV-UHFFFAOYSA-N 1 1 395.548 -0.155 20 0 GBADMO C[C@@H](C(=O)N(C)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000330645869 1073150640 /nfs/dbraw/zinc/15/06/40/1073150640.db2.gz GPGMYARDIZQKBB-AWEZNQCLSA-N 1 1 388.534 -0.884 20 0 GBADMO C[C@H](C(=O)N(C)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000330645870 1073150746 /nfs/dbraw/zinc/15/07/46/1073150746.db2.gz GPGMYARDIZQKBB-CQSZACIVSA-N 1 1 388.534 -0.884 20 0 GBADMO CCOC(=O)C1CCN(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000330647840 530275556 /nfs/dbraw/zinc/27/55/56/530275556.db2.gz HYGZUZGMLMDKEX-UHFFFAOYSA-N 1 1 377.507 -0.105 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330648922 530275517 /nfs/dbraw/zinc/27/55/17/530275517.db2.gz NWPHMJVMDKDIMU-CYBMUJFWSA-N 1 1 375.491 -0.246 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330648922 530275515 /nfs/dbraw/zinc/27/55/15/530275515.db2.gz NWPHMJVMDKDIMU-CYBMUJFWSA-N 1 1 375.491 -0.246 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330648924 530275476 /nfs/dbraw/zinc/27/54/76/530275476.db2.gz NWPHMJVMDKDIMU-ZDUSSCGKSA-N 1 1 375.491 -0.246 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330648924 530275473 /nfs/dbraw/zinc/27/54/73/530275473.db2.gz NWPHMJVMDKDIMU-ZDUSSCGKSA-N 1 1 375.491 -0.246 20 0 GBADMO CCOC(=O)C1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC)CC2)CC1 ZINC000330651488 530275695 /nfs/dbraw/zinc/27/56/95/530275695.db2.gz IGCVVTFNIHQDCX-HNNXBMFYSA-N 1 1 377.507 -0.105 20 0 GBADMO CCOC(=O)C1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC)CC2)CC1 ZINC000330651489 530275548 /nfs/dbraw/zinc/27/55/48/530275548.db2.gz IGCVVTFNIHQDCX-OAHLLOKOSA-N 1 1 377.507 -0.105 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000330652701 530275587 /nfs/dbraw/zinc/27/55/87/530275587.db2.gz LQRCMAQNZUHNRS-UHFFFAOYSA-N 1 1 391.515 -0.328 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330656142 1073151144 /nfs/dbraw/zinc/15/11/44/1073151144.db2.gz OOXGGTMLQZWKIR-LBPRGKRZSA-N 1 1 388.490 -0.127 20 0 GBADMO CCS(=O)(=O)CC(=O)N(C)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330660968 1073151446 /nfs/dbraw/zinc/15/14/46/1073151446.db2.gz SOSBQBOHXUFHFI-UHFFFAOYSA-N 1 1 388.534 -0.882 20 0 GBADMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000330664281 1073151571 /nfs/dbraw/zinc/15/15/71/1073151571.db2.gz VTOLOTCUPLUSLR-GXTWGEPZSA-N 1 1 388.490 -0.127 20 0 GBADMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000330664282 1073151478 /nfs/dbraw/zinc/15/14/78/1073151478.db2.gz VTOLOTCUPLUSLR-JSGCOSHPSA-N 1 1 388.490 -0.127 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000330670319 530275523 /nfs/dbraw/zinc/27/55/23/530275523.db2.gz BVOQROXJRKUBDX-UHFFFAOYSA-N 1 1 388.515 -0.305 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC000330678891 1073152226 /nfs/dbraw/zinc/15/22/26/1073152226.db2.gz MIEUTNXVVGTNBH-HOTGVXAUSA-N 1 1 390.550 -0.575 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC000330678892 1073152209 /nfs/dbraw/zinc/15/22/09/1073152209.db2.gz MIEUTNXVVGTNBH-JKSUJKDBSA-N 1 1 390.550 -0.575 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000330681486 530276252 /nfs/dbraw/zinc/27/62/52/530276252.db2.gz OWCLUFCOKOTLPO-AWEZNQCLSA-N 1 1 376.523 -0.126 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000330681486 530276250 /nfs/dbraw/zinc/27/62/50/530276250.db2.gz OWCLUFCOKOTLPO-AWEZNQCLSA-N 1 1 376.523 -0.126 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000330681487 530275895 /nfs/dbraw/zinc/27/58/95/530275895.db2.gz OWCLUFCOKOTLPO-CQSZACIVSA-N 1 1 376.523 -0.126 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000330681487 530275894 /nfs/dbraw/zinc/27/58/94/530275894.db2.gz OWCLUFCOKOTLPO-CQSZACIVSA-N 1 1 376.523 -0.126 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330683065 1073152175 /nfs/dbraw/zinc/15/21/75/1073152175.db2.gz IIGYPMDKKPQNAN-GVXVVHGQSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330683065 1073152173 /nfs/dbraw/zinc/15/21/73/1073152173.db2.gz IIGYPMDKKPQNAN-GVXVVHGQSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330683066 1073152279 /nfs/dbraw/zinc/15/22/79/1073152279.db2.gz IIGYPMDKKPQNAN-LOWVWBTDSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330683066 1073152273 /nfs/dbraw/zinc/15/22/73/1073152273.db2.gz IIGYPMDKKPQNAN-LOWVWBTDSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330683067 1073152349 /nfs/dbraw/zinc/15/23/49/1073152349.db2.gz IIGYPMDKKPQNAN-MDZLAQPJSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330683067 1073152342 /nfs/dbraw/zinc/15/23/42/1073152342.db2.gz IIGYPMDKKPQNAN-MDZLAQPJSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330683068 1073152327 /nfs/dbraw/zinc/15/23/27/1073152327.db2.gz IIGYPMDKKPQNAN-WZRBSPASSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330683068 1073152324 /nfs/dbraw/zinc/15/23/24/1073152324.db2.gz IIGYPMDKKPQNAN-WZRBSPASSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000330685663 530275918 /nfs/dbraw/zinc/27/59/18/530275918.db2.gz RPLAJVZXXFZOJM-UHFFFAOYSA-N 1 1 388.515 -0.014 20 0 GBADMO CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[N@H+]1C[C@H](C)O ZINC000330686036 1073152415 /nfs/dbraw/zinc/15/24/15/1073152415.db2.gz MFOGGHCOFJDVKC-GXTWGEPZSA-N 1 1 387.506 -0.690 20 0 GBADMO CC[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[N@H+]1C[C@H](C)O ZINC000330686037 1073152068 /nfs/dbraw/zinc/15/20/68/1073152068.db2.gz MFOGGHCOFJDVKC-JSGCOSHPSA-N 1 1 387.506 -0.690 20 0 GBADMO CC[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000330686038 1073151962 /nfs/dbraw/zinc/15/19/62/1073151962.db2.gz MFOGGHCOFJDVKC-OCCSQVGLSA-N 1 1 387.506 -0.690 20 0 GBADMO CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000330686039 1073152396 /nfs/dbraw/zinc/15/23/96/1073152396.db2.gz MFOGGHCOFJDVKC-TZMCWYRMSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cn1C ZINC000330690406 1073152044 /nfs/dbraw/zinc/15/20/44/1073152044.db2.gz QGWREGFPGOEUAC-CHWSQXEVSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cn1C ZINC000330690407 1073152053 /nfs/dbraw/zinc/15/20/53/1073152053.db2.gz QGWREGFPGOEUAC-OLZOCXBDSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cn1C ZINC000330690408 1073152182 /nfs/dbraw/zinc/15/21/82/1073152182.db2.gz QGWREGFPGOEUAC-QWHCGFSZSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cn1C ZINC000330690409 1073152936 /nfs/dbraw/zinc/15/29/36/1073152936.db2.gz QGWREGFPGOEUAC-STQMWFEESA-N 1 1 387.506 -0.690 20 0 GBADMO CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000330690493 1073153099 /nfs/dbraw/zinc/15/30/99/1073153099.db2.gz WNKQSNFAQFUIHI-AWEZNQCLSA-N 1 1 388.534 -0.283 20 0 GBADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000330690494 1073153084 /nfs/dbraw/zinc/15/30/84/1073153084.db2.gz WNKQSNFAQFUIHI-CQSZACIVSA-N 1 1 388.534 -0.283 20 0 GBADMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000330690820 1073153016 /nfs/dbraw/zinc/15/30/16/1073153016.db2.gz AXBXNPMIOLJRKG-NEPJUHHUSA-N 1 1 379.461 -0.524 20 0 GBADMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000330690820 1073153012 /nfs/dbraw/zinc/15/30/12/1073153012.db2.gz AXBXNPMIOLJRKG-NEPJUHHUSA-N 1 1 379.461 -0.524 20 0 GBADMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000330690821 1073153076 /nfs/dbraw/zinc/15/30/76/1073153076.db2.gz AXBXNPMIOLJRKG-VXGBXAGGSA-N 1 1 379.461 -0.524 20 0 GBADMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000330690821 1073153073 /nfs/dbraw/zinc/15/30/73/1073153073.db2.gz AXBXNPMIOLJRKG-VXGBXAGGSA-N 1 1 379.461 -0.524 20 0 GBADMO 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/nfs/dbraw/zinc/15/99/87/1073159987.db2.gz KSCNQDXGQSTREB-GVXVVHGQSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331055530 1073159982 /nfs/dbraw/zinc/15/99/82/1073159982.db2.gz KSCNQDXGQSTREB-GVXVVHGQSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331055531 1073159904 /nfs/dbraw/zinc/15/99/04/1073159904.db2.gz KSCNQDXGQSTREB-LOWVWBTDSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331055531 1073159898 /nfs/dbraw/zinc/15/98/98/1073159898.db2.gz KSCNQDXGQSTREB-LOWVWBTDSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000331055532 1073159704 /nfs/dbraw/zinc/15/97/04/1073159704.db2.gz KSCNQDXGQSTREB-MDZLAQPJSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000331055532 1073159698 /nfs/dbraw/zinc/15/96/98/1073159698.db2.gz KSCNQDXGQSTREB-MDZLAQPJSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000331055533 1073160013 /nfs/dbraw/zinc/16/00/13/1073160013.db2.gz KSCNQDXGQSTREB-WZRBSPASSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331055533 1073160010 /nfs/dbraw/zinc/16/00/10/1073160010.db2.gz KSCNQDXGQSTREB-WZRBSPASSA-N 1 1 388.490 -0.128 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC1 ZINC000331059727 1073159789 /nfs/dbraw/zinc/15/97/89/1073159789.db2.gz NHZHUHGQWAMBGU-GFCCVEGCSA-N 1 1 388.490 -0.173 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC1 ZINC000331059728 1073160021 /nfs/dbraw/zinc/16/00/21/1073160021.db2.gz NHZHUHGQWAMBGU-LBPRGKRZSA-N 1 1 388.490 -0.173 20 0 GBADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331115771 530278411 /nfs/dbraw/zinc/27/84/11/530278411.db2.gz VGUJMZSZCIMYHI-GDBMZVCRSA-N 1 1 377.507 -0.753 20 0 GBADMO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331115772 530278401 /nfs/dbraw/zinc/27/84/01/530278401.db2.gz VGUJMZSZCIMYHI-GOEBONIOSA-N 1 1 377.507 -0.753 20 0 GBADMO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331115773 530278454 /nfs/dbraw/zinc/27/84/54/530278454.db2.gz VGUJMZSZCIMYHI-HOCLYGCPSA-N 1 1 377.507 -0.753 20 0 GBADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000331115774 530278522 /nfs/dbraw/zinc/27/85/22/530278522.db2.gz VGUJMZSZCIMYHI-ZBFHGGJFSA-N 1 1 377.507 -0.753 20 0 GBADMO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000331126800 530278906 /nfs/dbraw/zinc/27/89/06/530278906.db2.gz ZGIGKXIVUMRDEF-UHFFFAOYSA-N 1 1 376.504 -0.219 20 0 GBADMO CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331134429 1073161286 /nfs/dbraw/zinc/16/12/86/1073161286.db2.gz KDMPJAUYRNZKHR-UHFFFAOYSA-N 1 1 389.566 -0.255 20 0 GBADMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000331140068 530278811 /nfs/dbraw/zinc/27/88/11/530278811.db2.gz UBBBZDAPEURZND-GFCCVEGCSA-N 1 1 396.560 -0.238 20 0 GBADMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000331140069 530278888 /nfs/dbraw/zinc/27/88/88/530278888.db2.gz UBBBZDAPEURZND-LBPRGKRZSA-N 1 1 396.560 -0.238 20 0 GBADMO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000331142326 530278916 /nfs/dbraw/zinc/27/89/16/530278916.db2.gz HEAUSWOJOULRNY-UHFFFAOYSA-N 1 1 379.508 -0.847 20 0 GBADMO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000331147415 1073161562 /nfs/dbraw/zinc/16/15/62/1073161562.db2.gz WEOBJCQEHJWPQC-GHMZBOCLSA-N 1 1 379.461 -0.526 20 0 GBADMO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000331147416 1073161565 /nfs/dbraw/zinc/16/15/65/1073161565.db2.gz WEOBJCQEHJWPQC-MNOVXSKESA-N 1 1 379.461 -0.526 20 0 GBADMO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000331147417 1073161504 /nfs/dbraw/zinc/16/15/04/1073161504.db2.gz WEOBJCQEHJWPQC-QWRGUYRKSA-N 1 1 379.461 -0.526 20 0 GBADMO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000331147418 1073161450 /nfs/dbraw/zinc/16/14/50/1073161450.db2.gz WEOBJCQEHJWPQC-WDEREUQCSA-N 1 1 379.461 -0.526 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@@H](C)O)cc1 ZINC000331154781 1073161551 /nfs/dbraw/zinc/16/15/51/1073161551.db2.gz KDQXHLZQJNZAJV-INMHGKMJSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[C@@H](C)O)cc1 ZINC000331154781 1073161550 /nfs/dbraw/zinc/16/15/50/1073161550.db2.gz KDQXHLZQJNZAJV-INMHGKMJSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)[C@@H](C)O)cc1 ZINC000331154782 1073161393 /nfs/dbraw/zinc/16/13/93/1073161393.db2.gz KDQXHLZQJNZAJV-UXLLHSPISA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)[C@@H](C)O)cc1 ZINC000331154782 1073161388 /nfs/dbraw/zinc/16/13/88/1073161388.db2.gz KDQXHLZQJNZAJV-UXLLHSPISA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@H](C)O)cc1 ZINC000331154783 1073161518 /nfs/dbraw/zinc/16/15/18/1073161518.db2.gz KDQXHLZQJNZAJV-VYDXJSESSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[C@H](C)O)cc1 ZINC000331154783 1073161516 /nfs/dbraw/zinc/16/15/16/1073161516.db2.gz KDQXHLZQJNZAJV-VYDXJSESSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)[C@H](C)O)cc1 ZINC000331154784 1073161540 /nfs/dbraw/zinc/16/15/40/1073161540.db2.gz KDQXHLZQJNZAJV-ZOBUZTSGSA-N 1 1 399.513 -0.452 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)[C@H](C)O)cc1 ZINC000331154784 1073161538 /nfs/dbraw/zinc/16/15/38/1073161538.db2.gz KDQXHLZQJNZAJV-ZOBUZTSGSA-N 1 1 399.513 -0.452 20 0 GBADMO CCS(=O)(=O)NCCS(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000331157482 530278902 /nfs/dbraw/zinc/27/89/02/530278902.db2.gz CBLUHZWGKNRUTN-UHFFFAOYSA-N 1 1 379.508 -0.752 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158847 530278728 /nfs/dbraw/zinc/27/87/28/530278728.db2.gz KGUOCVNEXQSARR-GXTWGEPZSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158847 530278726 /nfs/dbraw/zinc/27/87/26/530278726.db2.gz KGUOCVNEXQSARR-GXTWGEPZSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158848 530278696 /nfs/dbraw/zinc/27/86/96/530278696.db2.gz KGUOCVNEXQSARR-JSGCOSHPSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158848 530278694 /nfs/dbraw/zinc/27/86/94/530278694.db2.gz KGUOCVNEXQSARR-JSGCOSHPSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158849 530278780 /nfs/dbraw/zinc/27/87/80/530278780.db2.gz KGUOCVNEXQSARR-OCCSQVGLSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158849 530278779 /nfs/dbraw/zinc/27/87/79/530278779.db2.gz KGUOCVNEXQSARR-OCCSQVGLSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158850 530278684 /nfs/dbraw/zinc/27/86/84/530278684.db2.gz KGUOCVNEXQSARR-TZMCWYRMSA-N 1 1 375.491 -0.200 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000331158850 530278682 /nfs/dbraw/zinc/27/86/82/530278682.db2.gz KGUOCVNEXQSARR-TZMCWYRMSA-N 1 1 375.491 -0.200 20 0 GBADMO COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000331165282 530278958 /nfs/dbraw/zinc/27/89/58/530278958.db2.gz BAOVABYFZLLYJA-HNNXBMFYSA-N 1 1 376.523 -0.867 20 0 GBADMO COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000331165283 530278748 /nfs/dbraw/zinc/27/87/48/530278748.db2.gz BAOVABYFZLLYJA-OAHLLOKOSA-N 1 1 376.523 -0.867 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000331183286 530279122 /nfs/dbraw/zinc/27/91/22/530279122.db2.gz MIRUSUZGKAYIDO-CYBMUJFWSA-N 1 1 389.499 -0.323 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000331183287 530279293 /nfs/dbraw/zinc/27/92/93/530279293.db2.gz MIRUSUZGKAYIDO-ZDUSSCGKSA-N 1 1 389.499 -0.323 20 0 GBADMO CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000331188100 1073162735 /nfs/dbraw/zinc/16/27/35/1073162735.db2.gz VKCZRUXKEIQUTO-INIZCTEOSA-N 1 1 394.497 -0.027 20 0 GBADMO CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000331188102 1073162856 /nfs/dbraw/zinc/16/28/56/1073162856.db2.gz VKCZRUXKEIQUTO-MRXNPFEDSA-N 1 1 394.497 -0.027 20 0 GBADMO C[C@H](CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279167 /nfs/dbraw/zinc/27/91/67/530279167.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279166 /nfs/dbraw/zinc/27/91/66/530279166.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CCN1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279164 /nfs/dbraw/zinc/27/91/64/530279164.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279345 /nfs/dbraw/zinc/27/93/45/530279345.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279344 /nfs/dbraw/zinc/27/93/44/530279344.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CCN1CC[C@@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279342 /nfs/dbraw/zinc/27/93/42/530279342.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279100 /nfs/dbraw/zinc/27/91/00/530279100.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279099 /nfs/dbraw/zinc/27/90/99/530279099.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CCN1CC[C@@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279097 /nfs/dbraw/zinc/27/90/97/530279097.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279267 /nfs/dbraw/zinc/27/92/67/530279267.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279266 /nfs/dbraw/zinc/27/92/66/530279266.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 1 1 382.552 -0.988 20 0 GBADMO C[C@H](CCN1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279264 /nfs/dbraw/zinc/27/92/64/530279264.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 1 1 382.552 -0.988 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000331207347 530279249 /nfs/dbraw/zinc/27/92/49/530279249.db2.gz UXZFZIVBURTKSA-AWEZNQCLSA-N 1 1 376.523 -0.381 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000331207348 530279241 /nfs/dbraw/zinc/27/92/41/530279241.db2.gz UXZFZIVBURTKSA-CQSZACIVSA-N 1 1 376.523 -0.381 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331225357 1073162253 /nfs/dbraw/zinc/16/22/53/1073162253.db2.gz ZVBSBTWRWJVGLR-AAEUAGOBSA-N 1 1 387.506 -0.771 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331225357 1073162249 /nfs/dbraw/zinc/16/22/49/1073162249.db2.gz ZVBSBTWRWJVGLR-AAEUAGOBSA-N 1 1 387.506 -0.771 20 0 GBADMO 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C[C@@H](NC(=O)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332768313 1072949382 /nfs/dbraw/zinc/94/93/82/1072949382.db2.gz CUGKMQSYJIHJHZ-OXQOHEQNSA-N 1 1 394.516 -0.047 20 0 GBADMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332768314 1072949464 /nfs/dbraw/zinc/94/94/64/1072949464.db2.gz CUGKMQSYJIHJHZ-UZLBHIALSA-N 1 1 394.516 -0.047 20 0 GBADMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C(=O)N1CCCCC1 ZINC000332768314 1072949452 /nfs/dbraw/zinc/94/94/52/1072949452.db2.gz CUGKMQSYJIHJHZ-UZLBHIALSA-N 1 1 394.516 -0.047 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000332769626 1072950493 /nfs/dbraw/zinc/95/04/93/1072950493.db2.gz NWYAQVJUHSGXED-GJZGRUSLSA-N 1 1 378.473 -0.168 20 0 GBADMO C[C@@H](NC(=O)C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1)C(=O)N1CCCCC1 ZINC000332774663 1072951002 /nfs/dbraw/zinc/95/10/02/1072951002.db2.gz XRNPOYMFQLMPMI-CRAIPNDOSA-N 1 1 378.477 -0.378 20 0 GBADMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)C(=O)N1CCCCC1 ZINC000332774663 1072950996 /nfs/dbraw/zinc/95/09/96/1072950996.db2.gz XRNPOYMFQLMPMI-CRAIPNDOSA-N 1 1 378.477 -0.378 20 0 GBADMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1)C(=O)N1CCCCC1 ZINC000332774676 1072951381 /nfs/dbraw/zinc/95/13/81/1072951381.db2.gz XRNPOYMFQLMPMI-QAPCUYQASA-N 1 1 378.477 -0.378 20 0 GBADMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1)C(=O)N1CCCCC1 ZINC000332774676 1072951376 /nfs/dbraw/zinc/95/13/76/1072951376.db2.gz XRNPOYMFQLMPMI-QAPCUYQASA-N 1 1 378.477 -0.378 20 0 GBADMO C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CS(=O)(=O)CCO2)c2ccccc2)CC1 ZINC000332779932 1072951425 /nfs/dbraw/zinc/95/14/25/1072951425.db2.gz PZFJHGXKVIDUEC-DLBZAZTESA-N 1 1 381.498 -0.095 20 0 GBADMO C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CS(=O)(=O)CCO2)c2ccccc2)CC1 ZINC000332779933 1072951405 /nfs/dbraw/zinc/95/14/05/1072951405.db2.gz PZFJHGXKVIDUEC-IAGOWNOFSA-N 1 1 381.498 -0.095 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000332781195 1073838295 /nfs/dbraw/zinc/83/82/95/1073838295.db2.gz UVOFFNHQILAJQL-GJZGRUSLSA-N 1 1 378.473 -0.122 20 0 GBADMO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000332804504 1073935962 /nfs/dbraw/zinc/93/59/62/1073935962.db2.gz GATIZILMTKOYNS-JYJNAYRXSA-N 1 1 395.504 -0.430 20 0 GBADMO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000332804505 1073936777 /nfs/dbraw/zinc/93/67/77/1073936777.db2.gz GATIZILMTKOYNS-XHSDSOJGSA-N 1 1 395.504 -0.430 20 0 GBADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCOCC1 ZINC000332816541 1072956847 /nfs/dbraw/zinc/95/68/47/1072956847.db2.gz HKEQJZPTIKWVTE-CVEARBPZSA-N 1 1 396.488 -0.937 20 0 GBADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCOCC1 ZINC000332816542 1072957017 /nfs/dbraw/zinc/95/70/17/1072957017.db2.gz HKEQJZPTIKWVTE-HZPDHXFCSA-N 1 1 396.488 -0.937 20 0 GBADMO CN(C[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1)S(C)(=O)=O ZINC000332816670 530125697 /nfs/dbraw/zinc/12/56/97/530125697.db2.gz IHAQAFJWNOXCEQ-CABCVRRESA-N 1 1 375.539 -0.455 20 0 GBADMO CN(C[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1)S(C)(=O)=O ZINC000332816671 530125596 /nfs/dbraw/zinc/12/55/96/530125596.db2.gz IHAQAFJWNOXCEQ-GJZGRUSLSA-N 1 1 375.539 -0.455 20 0 GBADMO Cc1nc2n(n1)C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)CC2 ZINC000332817649 1073837916 /nfs/dbraw/zinc/83/79/16/1073837916.db2.gz OQRDAHZRIHFFOZ-HOTGVXAUSA-N 1 1 390.488 -0.269 20 0 GBADMO Cc1nc2n(n1)C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)CC2 ZINC000332817650 1073838078 /nfs/dbraw/zinc/83/80/78/1073838078.db2.gz OQRDAHZRIHFFOZ-JKSUJKDBSA-N 1 1 390.488 -0.269 20 0 GBADMO Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)c1=O ZINC000332817753 1072957076 /nfs/dbraw/zinc/95/70/76/1072957076.db2.gz PJGUXKWVRMLSFG-CABCVRRESA-N 1 1 377.493 -0.706 20 0 GBADMO Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)c1=O ZINC000332817754 1072956867 /nfs/dbraw/zinc/95/68/67/1072956867.db2.gz PJGUXKWVRMLSFG-GJZGRUSLSA-N 1 1 377.493 -0.706 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000332821185 1072957606 /nfs/dbraw/zinc/95/76/06/1072957606.db2.gz DCQYWMIRSXEROQ-DLBZAZTESA-N 1 1 392.500 -0.031 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000332821187 1072957908 /nfs/dbraw/zinc/95/79/08/1072957908.db2.gz DCQYWMIRSXEROQ-IAGOWNOFSA-N 1 1 392.500 -0.031 20 0 GBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332825313 1072957555 /nfs/dbraw/zinc/95/75/55/1072957555.db2.gz UPLCJHZRHIMNAA-DLBZAZTESA-N 1 1 381.521 -0.938 20 0 GBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332825314 1072957753 /nfs/dbraw/zinc/95/77/53/1072957753.db2.gz UPLCJHZRHIMNAA-IRXDYDNUSA-N 1 1 381.521 -0.938 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)N1CC[NH+](C)CC1 ZINC000332826130 1072957837 /nfs/dbraw/zinc/95/78/37/1072957837.db2.gz JYGXOPVPRLKGFK-KDOFPFPSSA-N 1 1 380.493 -0.406 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)N1CC[NH+](C)CC1 ZINC000332826132 1072957346 /nfs/dbraw/zinc/95/73/46/1072957346.db2.gz JYGXOPVPRLKGFK-RDTXWAMCSA-N 1 1 380.493 -0.406 20 0 GBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000332826627 530125633 /nfs/dbraw/zinc/12/56/33/530125633.db2.gz XEFBULRGCSXFLV-CABCVRRESA-N 1 1 375.539 -0.264 20 0 GBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000332826628 530125729 /nfs/dbraw/zinc/12/57/29/530125729.db2.gz XEFBULRGCSXFLV-GJZGRUSLSA-N 1 1 375.539 -0.264 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)C1 ZINC000332830956 530125746 /nfs/dbraw/zinc/12/57/46/530125746.db2.gz RDOGVNVCVYJTFW-UONOGXRCSA-N 1 1 394.563 -0.539 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)C1 ZINC000332830957 530125485 /nfs/dbraw/zinc/12/54/85/530125485.db2.gz RDOGVNVCVYJTFW-ZIAGYGMSSA-N 1 1 394.563 -0.539 20 0 GBADMO O=C(NCC[NH+]1CCSCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000332833127 530125720 /nfs/dbraw/zinc/12/57/20/530125720.db2.gz UVILUXVBGZNHMR-CHWSQXEVSA-N 1 1 375.516 -0.813 20 0 GBADMO O=C(NCC[NH+]1CCSCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000332833129 530125403 /nfs/dbraw/zinc/12/54/03/530125403.db2.gz UVILUXVBGZNHMR-OLZOCXBDSA-N 1 1 375.516 -0.813 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000332854001 1072961989 /nfs/dbraw/zinc/96/19/89/1072961989.db2.gz MFEGALPKAPFWME-GXTWGEPZSA-N 1 1 386.522 -0.934 20 0 GBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000332854004 1072961940 /nfs/dbraw/zinc/96/19/40/1072961940.db2.gz MFEGALPKAPFWME-JSGCOSHPSA-N 1 1 386.522 -0.934 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@@H]1C ZINC000332861411 530126179 /nfs/dbraw/zinc/12/61/79/530126179.db2.gz FUISRHGJKWBJAO-UONOGXRCSA-N 1 1 394.563 -0.539 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1C ZINC000332861413 530126139 /nfs/dbraw/zinc/12/61/39/530126139.db2.gz FUISRHGJKWBJAO-ZIAGYGMSSA-N 1 1 394.563 -0.539 20 0 GBADMO CC[C@@H]1CN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000332868954 530126290 /nfs/dbraw/zinc/12/62/90/530126290.db2.gz NEDNVMXNQCASHN-QLFBSQMISA-N 1 1 376.523 -0.103 20 0 GBADMO CC[C@@H]1CN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC[N@H+]1C[C@H](C)O ZINC000332868956 530126207 /nfs/dbraw/zinc/12/62/07/530126207.db2.gz NEDNVMXNQCASHN-SOUVJXGZSA-N 1 1 376.523 -0.103 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000332870039 1073936966 /nfs/dbraw/zinc/93/69/66/1073936966.db2.gz GWCHCHCZPSQDQY-HOCLYGCPSA-N 1 1 377.489 -0.055 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000332870041 1073936920 /nfs/dbraw/zinc/93/69/20/1073936920.db2.gz GWCHCHCZPSQDQY-ZBFHGGJFSA-N 1 1 377.489 -0.055 20 0 GBADMO CC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000332870854 1072962649 /nfs/dbraw/zinc/96/26/49/1072962649.db2.gz OONBUWCHETXNCG-DLBZAZTESA-N 1 1 396.488 -0.937 20 0 GBADMO CC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000332870855 1072962695 /nfs/dbraw/zinc/96/26/95/1072962695.db2.gz OONBUWCHETXNCG-IRXDYDNUSA-N 1 1 396.488 -0.937 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000332870924 1072963366 /nfs/dbraw/zinc/96/33/66/1072963366.db2.gz PWHQBDCFKAZZHT-CABCVRRESA-N 1 1 386.518 -0.098 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000332870926 1072963236 /nfs/dbraw/zinc/96/32/36/1072963236.db2.gz PWHQBDCFKAZZHT-GJZGRUSLSA-N 1 1 386.518 -0.098 20 0 GBADMO CC[C@H]1CN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1C[C@@H](C)O ZINC000332879381 530126234 /nfs/dbraw/zinc/12/62/34/530126234.db2.gz UWTGJBRLIDUOLH-QLFBSQMISA-N 1 1 376.523 -0.103 20 0 GBADMO CC[C@H]1CN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1C[C@H](C)O ZINC000332880007 530126047 /nfs/dbraw/zinc/12/60/47/530126047.db2.gz UWTGJBRLIDUOLH-SOUVJXGZSA-N 1 1 376.523 -0.103 20 0 GBADMO CC(C)N1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O ZINC000332882462 1072964141 /nfs/dbraw/zinc/96/41/41/1072964141.db2.gz ORJDSKWLVJRKPY-CVEARBPZSA-N 1 1 380.489 -0.175 20 0 GBADMO CC(C)N1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O ZINC000332882475 1072964616 /nfs/dbraw/zinc/96/46/16/1072964616.db2.gz ORJDSKWLVJRKPY-HZPDHXFCSA-N 1 1 380.489 -0.175 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)C1 ZINC000332884500 530346341 /nfs/dbraw/zinc/34/63/41/530346341.db2.gz OTJKNXYXMHOBDV-HRCADAONSA-N 1 1 375.535 -0.033 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)C1 ZINC000332884504 530346573 /nfs/dbraw/zinc/34/65/73/530346573.db2.gz OTJKNXYXMHOBDV-OWCLPIDISA-N 1 1 375.535 -0.033 20 0 GBADMO C[C@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@H]1[NH+]1CCOCC1 ZINC000332891219 1072304403 /nfs/dbraw/zinc/30/44/03/1072304403.db2.gz UUFNBYLWGLHJAU-DWBBHFSCSA-N 1 1 379.461 -0.131 20 0 GBADMO C[C@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@@H]1[NH+]1CCOCC1 ZINC000332891222 1072304365 /nfs/dbraw/zinc/30/43/65/1072304365.db2.gz UUFNBYLWGLHJAU-FMHYQEOESA-N 1 1 379.461 -0.131 20 0 GBADMO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000332894945 1072967824 /nfs/dbraw/zinc/96/78/24/1072967824.db2.gz HKIFVZAUMWSVEZ-HNNXBMFYSA-N 1 1 394.520 -0.855 20 0 GBADMO CN1CCO[C@@H](C(=O)Nc2cccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000332897808 1073844397 /nfs/dbraw/zinc/84/43/97/1073844397.db2.gz LVMXZQSRGGTMSU-IAGOWNOFSA-N 1 1 376.457 -0.098 20 0 GBADMO CN1CCO[C@@H](C(=O)Nc2cccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)c2)C1 ZINC000332897808 1073844381 /nfs/dbraw/zinc/84/43/81/1073844381.db2.gz LVMXZQSRGGTMSU-IAGOWNOFSA-N 1 1 376.457 -0.098 20 0 GBADMO CN1CCO[C@H](C(=O)Nc2cccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000332897810 1073844458 /nfs/dbraw/zinc/84/44/58/1073844458.db2.gz LVMXZQSRGGTMSU-SJORKVTESA-N 1 1 376.457 -0.098 20 0 GBADMO CN1CCO[C@H](C(=O)Nc2cccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)c2)C1 ZINC000332897810 1073844449 /nfs/dbraw/zinc/84/44/49/1073844449.db2.gz LVMXZQSRGGTMSU-SJORKVTESA-N 1 1 376.457 -0.098 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000332898238 1073843892 /nfs/dbraw/zinc/84/38/92/1073843892.db2.gz ZJCBGFLASMFBMC-CABCVRRESA-N 1 1 386.518 -0.241 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000332898239 1073844480 /nfs/dbraw/zinc/84/44/80/1073844480.db2.gz ZJCBGFLASMFBMC-GJZGRUSLSA-N 1 1 386.518 -0.241 20 0 GBADMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC000332902739 1072967723 /nfs/dbraw/zinc/96/77/23/1072967723.db2.gz PGDKMIONKPTINR-LTIDMASMSA-N 1 1 392.500 -0.175 20 0 GBADMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O ZINC000332902743 1072968009 /nfs/dbraw/zinc/96/80/09/1072968009.db2.gz PGDKMIONKPTINR-QZWWFDLISA-N 1 1 392.500 -0.175 20 0 GBADMO CC(C)N1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O ZINC000332906490 1073844586 /nfs/dbraw/zinc/84/45/86/1073844586.db2.gz WHCLEPMSSUWKQR-HOTGVXAUSA-N 1 1 380.489 -0.175 20 0 GBADMO CC(C)N1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC000332906491 1073844205 /nfs/dbraw/zinc/84/42/05/1073844205.db2.gz WHCLEPMSSUWKQR-JKSUJKDBSA-N 1 1 380.489 -0.175 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000332907812 1072968856 /nfs/dbraw/zinc/96/88/56/1072968856.db2.gz UXBBRQIMINKRES-AWEZNQCLSA-N 1 1 391.476 -0.657 20 0 GBADMO C[C@@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC000332910559 530126544 /nfs/dbraw/zinc/12/65/44/530126544.db2.gz XVSQZHWSWCZGBM-GJZGRUSLSA-N 1 1 375.539 -0.407 20 0 GBADMO C[C@@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC000332910561 530126026 /nfs/dbraw/zinc/12/60/26/530126026.db2.gz XVSQZHWSWCZGBM-LSDHHAIUSA-N 1 1 375.539 -0.407 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)[C@@H](C)C1 ZINC000332914890 1073937703 /nfs/dbraw/zinc/93/77/03/1073937703.db2.gz VPKCEXQFQOXMJO-JYJNAYRXSA-N 1 1 392.504 -0.154 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)[C@H](C)C1 ZINC000332914894 1073937957 /nfs/dbraw/zinc/93/79/57/1073937957.db2.gz VPKCEXQFQOXMJO-PMPSAXMXSA-N 1 1 392.504 -0.154 20 0 GBADMO CN(CC1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000332931217 1073605667 /nfs/dbraw/zinc/60/56/67/1073605667.db2.gz WDZDHUHOBIUOEC-OPQOLIRYSA-N 1 1 396.532 -0.219 20 0 GBADMO CN(CC1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000332931217 1073605660 /nfs/dbraw/zinc/60/56/60/1073605660.db2.gz WDZDHUHOBIUOEC-OPQOLIRYSA-N 1 1 396.532 -0.219 20 0 GBADMO CN(CC1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000332931218 1073605505 /nfs/dbraw/zinc/60/55/05/1073605505.db2.gz WDZDHUHOBIUOEC-ZGUYJTEBSA-N 1 1 396.532 -0.219 20 0 GBADMO CN(CC1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000332931218 1073605499 /nfs/dbraw/zinc/60/54/99/1073605499.db2.gz WDZDHUHOBIUOEC-ZGUYJTEBSA-N 1 1 396.532 -0.219 20 0 GBADMO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000332932399 1073846175 /nfs/dbraw/zinc/84/61/75/1073846175.db2.gz SUFNGHLQKNNPKO-DLBZAZTESA-N 1 1 381.521 -0.097 20 0 GBADMO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000332932400 1073847680 /nfs/dbraw/zinc/84/76/80/1073847680.db2.gz SUFNGHLQKNNPKO-IRXDYDNUSA-N 1 1 381.521 -0.097 20 0 GBADMO CN1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CCCCC2)C1 ZINC000332934677 1073166988 /nfs/dbraw/zinc/16/69/88/1073166988.db2.gz VXHLQNZTNNZNPR-FGTMMUONSA-N 1 1 396.532 -0.171 20 0 GBADMO CN1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CCCCC2)C1 ZINC000332934677 1073166984 /nfs/dbraw/zinc/16/69/84/1073166984.db2.gz VXHLQNZTNNZNPR-FGTMMUONSA-N 1 1 396.532 -0.171 20 0 GBADMO CN1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CCCCC2)C1 ZINC000332934678 1073166896 /nfs/dbraw/zinc/16/68/96/1073166896.db2.gz VXHLQNZTNNZNPR-OKZBNKHCSA-N 1 1 396.532 -0.171 20 0 GBADMO CN1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CCCCC2)C1 ZINC000332934678 1073166892 /nfs/dbraw/zinc/16/68/92/1073166892.db2.gz VXHLQNZTNNZNPR-OKZBNKHCSA-N 1 1 396.532 -0.171 20 0 GBADMO CN1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CCCCC2)C1 ZINC000332934680 1073166705 /nfs/dbraw/zinc/16/67/05/1073166705.db2.gz VXHLQNZTNNZNPR-SQNIBIBYSA-N 1 1 396.532 -0.171 20 0 GBADMO CN1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CCCCC2)C1 ZINC000332934680 1073166700 /nfs/dbraw/zinc/16/67/00/1073166700.db2.gz VXHLQNZTNNZNPR-SQNIBIBYSA-N 1 1 396.532 -0.171 20 0 GBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000332935396 1073168155 /nfs/dbraw/zinc/16/81/55/1073168155.db2.gz WPJUVQWMXLOHAP-KBPBESRZSA-N 1 1 391.476 -0.715 20 0 GBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000332935397 1073167970 /nfs/dbraw/zinc/16/79/70/1073167970.db2.gz WPJUVQWMXLOHAP-UONOGXRCSA-N 1 1 391.476 -0.715 20 0 GBADMO C[C@H]1C[C@H](NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC[N@H+]1C ZINC000332935419 1073168220 /nfs/dbraw/zinc/16/82/20/1073168220.db2.gz WQUPNVBQQQYXMO-QWHCGFSZSA-N 1 1 379.465 -0.859 20 0 GBADMO C[C@H]1C[C@@H](NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC[N@H+]1C ZINC000332935430 1073168162 /nfs/dbraw/zinc/16/81/62/1073168162.db2.gz WQUPNVBQQQYXMO-STQMWFEESA-N 1 1 379.465 -0.859 20 0 GBADMO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C2=O ZINC000332948143 1073939225 /nfs/dbraw/zinc/93/92/25/1073939225.db2.gz AJCIOYQQZAHMEC-MDASCCDHSA-N 1 1 396.488 -0.314 20 0 GBADMO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C2=O ZINC000332948145 1073939074 /nfs/dbraw/zinc/93/90/74/1073939074.db2.gz AJCIOYQQZAHMEC-NIKGAXFTSA-N 1 1 396.488 -0.314 20 0 GBADMO CC[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)N1CCOCC1 ZINC000332959929 1073938398 /nfs/dbraw/zinc/93/83/98/1073938398.db2.gz CLGYIQYHMVZHCX-CVEARBPZSA-N 1 1 395.504 -0.428 20 0 GBADMO CC[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)N1CCOCC1 ZINC000332959937 1073938762 /nfs/dbraw/zinc/93/87/62/1073938762.db2.gz CLGYIQYHMVZHCX-HZPDHXFCSA-N 1 1 395.504 -0.428 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000332961701 1073864398 /nfs/dbraw/zinc/86/43/98/1073864398.db2.gz YBEVKRXRFDYBEE-OWCLPIDISA-N 1 1 378.473 -0.421 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000332961702 1073864808 /nfs/dbraw/zinc/86/48/08/1073864808.db2.gz YBEVKRXRFDYBEE-PMPSAXMXSA-N 1 1 378.473 -0.421 20 0 GBADMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1=O ZINC000332961850 1073939032 /nfs/dbraw/zinc/93/90/32/1073939032.db2.gz GFXSSCVPSJQOFW-QXSJWSMHSA-N 1 1 377.489 -0.056 20 0 GBADMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1=O ZINC000332961851 1073939150 /nfs/dbraw/zinc/93/91/50/1073939150.db2.gz GFXSSCVPSJQOFW-UGUYLWEFSA-N 1 1 377.489 -0.056 20 0 GBADMO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000332965008 1073939183 /nfs/dbraw/zinc/93/91/83/1073939183.db2.gz LCILNMGFFZQEOJ-DLBZAZTESA-N 1 1 381.521 -0.097 20 0 GBADMO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CN1CCOCC1 ZINC000332965010 1073938969 /nfs/dbraw/zinc/93/89/69/1073938969.db2.gz LCILNMGFFZQEOJ-IRXDYDNUSA-N 1 1 381.521 -0.097 20 0 GBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000332968285 530355317 /nfs/dbraw/zinc/35/53/17/530355317.db2.gz JAADQAXJKNQRET-GJZGRUSLSA-N 1 1 375.539 -0.264 20 0 GBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000332968286 530355381 /nfs/dbraw/zinc/35/53/81/530355381.db2.gz JAADQAXJKNQRET-LSDHHAIUSA-N 1 1 375.539 -0.264 20 0 GBADMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000332973815 1073938635 /nfs/dbraw/zinc/93/86/35/1073938635.db2.gz HSBZBKOVXWODRY-GOEBONIOSA-N 1 1 379.505 -0.650 20 0 GBADMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000332973818 1073939052 /nfs/dbraw/zinc/93/90/52/1073939052.db2.gz HSBZBKOVXWODRY-HOCLYGCPSA-N 1 1 379.505 -0.650 20 0 GBADMO C[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)N1CCCCC1 ZINC000332977074 1073939011 /nfs/dbraw/zinc/93/90/11/1073939011.db2.gz MTNDVQGZTIHIOS-IAGOWNOFSA-N 1 1 393.532 -0.258 20 0 GBADMO C[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)N1CCCCC1 ZINC000332977076 1073938368 /nfs/dbraw/zinc/93/83/68/1073938368.db2.gz MTNDVQGZTIHIOS-SJORKVTESA-N 1 1 393.532 -0.258 20 0 GBADMO CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000332981512 1073938734 /nfs/dbraw/zinc/93/87/34/1073938734.db2.gz WDNIYWKZMGJGQB-DLBZAZTESA-N 1 1 379.505 -0.648 20 0 GBADMO CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000332981513 1073938910 /nfs/dbraw/zinc/93/89/10/1073938910.db2.gz WDNIYWKZMGJGQB-IRXDYDNUSA-N 1 1 379.505 -0.648 20 0 GBADMO C[C@@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC000332985739 530208441 /nfs/dbraw/zinc/20/84/41/530208441.db2.gz WNDGRHZWEFOYAD-GJZGRUSLSA-N 1 1 375.539 -0.455 20 0 GBADMO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC000332985740 530208349 /nfs/dbraw/zinc/20/83/49/530208349.db2.gz WNDGRHZWEFOYAD-LSDHHAIUSA-N 1 1 375.539 -0.455 20 0 GBADMO 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C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 ZINC000349597570 530095959 /nfs/dbraw/zinc/09/59/59/530095959.db2.gz CEAWSKZDYGXKPJ-GFCCVEGCSA-N 1 1 377.492 -0.521 20 0 GBADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 ZINC000349597571 530096072 /nfs/dbraw/zinc/09/60/72/530096072.db2.gz CEAWSKZDYGXKPJ-LBPRGKRZSA-N 1 1 377.492 -0.521 20 0 GBADMO C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(=O)[nH]c2)C1 ZINC000349597843 530096298 /nfs/dbraw/zinc/09/62/98/530096298.db2.gz FQWJYPLWZJWMEA-UHFFFAOYSA-N 1 1 392.503 -0.115 20 0 GBADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccncc2F)C1 ZINC000349598008 530342005 /nfs/dbraw/zinc/34/20/05/530342005.db2.gz DLBGGVMVYNNBLB-GFCCVEGCSA-N 1 1 394.494 -0.355 20 0 GBADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccncc2F)C1 ZINC000349598009 530342094 /nfs/dbraw/zinc/34/20/94/530342094.db2.gz DLBGGVMVYNNBLB-LBPRGKRZSA-N 1 1 394.494 -0.355 20 0 GBADMO CC(C)(C)NS(=O)(=O)CCCCS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000349598309 530371108 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-0.245 20 0 GBADMO Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000349600803 530096441 /nfs/dbraw/zinc/09/64/41/530096441.db2.gz JDMYXGNJQBZVKY-GFCCVEGCSA-N 1 1 379.508 -0.279 20 0 GBADMO Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000349600804 530096340 /nfs/dbraw/zinc/09/63/40/530096340.db2.gz JDMYXGNJQBZVKY-LBPRGKRZSA-N 1 1 379.508 -0.279 20 0 GBADMO Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000349601140 530371269 /nfs/dbraw/zinc/37/12/69/530371269.db2.gz JHKPSVZFPBIRIN-GFCCVEGCSA-N 1 1 379.508 -0.577 20 0 GBADMO Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000349601143 530371405 /nfs/dbraw/zinc/37/14/05/530371405.db2.gz JHKPSVZFPBIRIN-LBPRGKRZSA-N 1 1 379.508 -0.577 20 0 GBADMO Cn1nccc1NS(=O)(=O)CCCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000349601883 530371487 /nfs/dbraw/zinc/37/14/87/530371487.db2.gz PGRQGSYTHURZBB-UHFFFAOYSA-N 1 1 379.508 -0.482 20 0 GBADMO C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccncc2F)C1 ZINC000349602223 530342475 /nfs/dbraw/zinc/34/24/75/530342475.db2.gz PWTSWKUQBXKWEB-UHFFFAOYSA-N 1 1 394.494 -0.260 20 0 GBADMO Cc1cn2cc(NS(=O)(=O)CCCS(=O)(=O)NCCO)ccc2[nH+]1 ZINC000349603364 530096597 /nfs/dbraw/zinc/09/65/97/530096597.db2.gz NLNNQVWCYVZQHD-UHFFFAOYSA-N 1 1 376.460 -0.314 20 0 GBADMO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000349603849 530342534 /nfs/dbraw/zinc/34/25/34/530342534.db2.gz OCAHSAPLFGLOMJ-AWEZNQCLSA-N 1 1 390.531 -0.185 20 0 GBADMO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000349603849 530342533 /nfs/dbraw/zinc/34/25/33/530342533.db2.gz OCAHSAPLFGLOMJ-AWEZNQCLSA-N 1 1 390.531 -0.185 20 0 GBADMO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)ccn1 ZINC000349603850 530342432 /nfs/dbraw/zinc/34/24/32/530342432.db2.gz OCAHSAPLFGLOMJ-CQSZACIVSA-N 1 1 390.531 -0.185 20 0 GBADMO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000349603850 530342431 /nfs/dbraw/zinc/34/24/31/530342431.db2.gz OCAHSAPLFGLOMJ-CQSZACIVSA-N 1 1 390.531 -0.185 20 0 GBADMO C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(=O)[nH]n2)C1 ZINC000349605601 530096751 /nfs/dbraw/zinc/09/67/51/530096751.db2.gz VHZGNSFTDFPJBA-UHFFFAOYSA-N 1 1 393.491 -0.720 20 0 GBADMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3cn[nH]c3)C[C@@H]21 ZINC000349605654 530096500 /nfs/dbraw/zinc/09/65/00/530096500.db2.gz HOCRAESZUIUNTD-OCCSQVGLSA-N 1 1 391.519 -0.103 20 0 GBADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]n2)C1 ZINC000349606294 530096972 /nfs/dbraw/zinc/09/69/72/530096972.db2.gz RXQWVFKASLMHLO-LLVKDONJSA-N 1 1 393.491 -0.815 20 0 GBADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]n2)C1 ZINC000349606296 530096994 /nfs/dbraw/zinc/09/69/94/530096994.db2.gz RXQWVFKASLMHLO-NSHDSACASA-N 1 1 393.491 -0.815 20 0 GBADMO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)n(C)n1 ZINC000349606700 530342727 /nfs/dbraw/zinc/34/27/27/530342727.db2.gz SQJFCBFTKFQHRO-CYBMUJFWSA-N 1 1 393.535 -0.269 20 0 GBADMO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)n(C)n1 ZINC000349606705 530342831 /nfs/dbraw/zinc/34/28/31/530342831.db2.gz SQJFCBFTKFQHRO-ZDUSSCGKSA-N 1 1 393.535 -0.269 20 0 GBADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]c2)C1 ZINC000349606839 530097220 /nfs/dbraw/zinc/09/72/20/530097220.db2.gz SZYXZAKGEOYZRJ-GFCCVEGCSA-N 1 1 392.503 -0.210 20 0 GBADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]c2)C1 ZINC000349606841 530097203 /nfs/dbraw/zinc/09/72/03/530097203.db2.gz SZYXZAKGEOYZRJ-LBPRGKRZSA-N 1 1 392.503 -0.210 20 0 GBADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C1 ZINC000349607805 530097003 /nfs/dbraw/zinc/09/70/03/530097003.db2.gz VEVBDSZFTHSQOB-CYBMUJFWSA-N 1 1 376.504 -0.494 20 0 GBADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C1 ZINC000349607806 530097084 /nfs/dbraw/zinc/09/70/84/530097084.db2.gz VEVBDSZFTHSQOB-ZDUSSCGKSA-N 1 1 376.504 -0.494 20 0 GBADMO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000349608577 530097123 /nfs/dbraw/zinc/09/71/23/530097123.db2.gz XWCSTKXQAUJBGX-GFCCVEGCSA-N 1 1 379.508 -0.577 20 0 GBADMO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)n1 ZINC000349608577 530097121 /nfs/dbraw/zinc/09/71/21/530097121.db2.gz XWCSTKXQAUJBGX-GFCCVEGCSA-N 1 1 379.508 -0.577 20 0 GBADMO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000349608578 530096984 /nfs/dbraw/zinc/09/69/84/530096984.db2.gz XWCSTKXQAUJBGX-LBPRGKRZSA-N 1 1 379.508 -0.577 20 0 GBADMO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000349608578 530096983 /nfs/dbraw/zinc/09/69/83/530096983.db2.gz XWCSTKXQAUJBGX-LBPRGKRZSA-N 1 1 379.508 -0.577 20 0 GBADMO CNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3CC[NH+](C)CC3)no2)cn1 ZINC000350204072 1073908254 /nfs/dbraw/zinc/90/82/54/1073908254.db2.gz HJUWFKCAPRVJSZ-UHFFFAOYSA-N 1 1 380.430 -0.644 20 0 GBADMO CC[NH+]1CCN(C(=O)Cc2noc(-c3ccnc(S(N)(=O)=O)c3)n2)CC1 ZINC000350225974 1073908507 /nfs/dbraw/zinc/90/85/07/1073908507.db2.gz HQILHHRNRSMHLK-UHFFFAOYSA-N 1 1 380.430 -0.514 20 0 GBADMO O=C(Cc1noc(CCCC[NH+]2CCOCC2)n1)NCCN1CCOCC1 ZINC000350256398 1073908333 /nfs/dbraw/zinc/90/83/33/1073908333.db2.gz RCNAMANYNNALQY-UHFFFAOYSA-N 1 1 381.477 -0.285 20 0 GBADMO CC[NH+]1CCN(C(=O)Cc2noc(CCn3nc4ccccn4c3=O)n2)CC1 ZINC000350710801 1073910525 /nfs/dbraw/zinc/91/05/25/1073910525.db2.gz HAKOAGIWJSDKDY-UHFFFAOYSA-N 1 1 385.428 -0.172 20 0 GBADMO C[NH+]1CCN(C(=O)Cc2noc(Cc3ccc(S(N)(=O)=O)s3)n2)CC1 ZINC000350723310 530099355 /nfs/dbraw/zinc/09/93/55/530099355.db2.gz ZJISXGUJPZKPPG-UHFFFAOYSA-N 1 1 385.471 -0.314 20 0 GBADMO COCC(=O)N[C@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000359870027 1073949362 /nfs/dbraw/zinc/94/93/62/1073949362.db2.gz MIJBMSVIGBCLSM-KRWDZBQOSA-N 1 1 382.505 -0.214 20 0 GBADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000359899093 209199273 /nfs/dbraw/zinc/19/92/73/209199273.db2.gz NAVYJKGAQIVHAX-DLBZAZTESA-N 1 1 380.489 -0.316 20 0 GBADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000359899475 209200130 /nfs/dbraw/zinc/20/01/30/209200130.db2.gz NAVYJKGAQIVHAX-IRXDYDNUSA-N 1 1 380.489 -0.316 20 0 GBADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000359899476 209199679 /nfs/dbraw/zinc/19/96/79/209199679.db2.gz NAVYJKGAQIVHAX-SJORKVTESA-N 1 1 380.489 -0.316 20 0 GBADMO CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O)S(C)(=O)=O ZINC000359939170 1073950328 /nfs/dbraw/zinc/95/03/28/1073950328.db2.gz XYFGDHGMBDZOJE-HNNXBMFYSA-N 1 1 388.534 -0.139 20 0 GBADMO CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)S(C)(=O)=O ZINC000359939170 1073950323 /nfs/dbraw/zinc/95/03/23/1073950323.db2.gz XYFGDHGMBDZOJE-HNNXBMFYSA-N 1 1 388.534 -0.139 20 0 GBADMO CN(CCCNC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)S(C)(=O)=O ZINC000359939171 212125452 /nfs/dbraw/zinc/12/54/52/212125452.db2.gz XYFGDHGMBDZOJE-OAHLLOKOSA-N 1 1 388.534 -0.139 20 0 GBADMO CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)S(C)(=O)=O ZINC000359939171 212125450 /nfs/dbraw/zinc/12/54/50/212125450.db2.gz XYFGDHGMBDZOJE-OAHLLOKOSA-N 1 1 388.534 -0.139 20 0 GBADMO CCN1CCN(CC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C(=O)C1=O ZINC000359959062 212127817 /nfs/dbraw/zinc/12/78/17/212127817.db2.gz UGKUJSCBFYSUGP-HRCADAONSA-N 1 1 380.489 -0.223 20 0 GBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000359976513 1073950296 /nfs/dbraw/zinc/95/02/96/1073950296.db2.gz HVVIMIJQYCWELG-CVEARBPZSA-N 1 1 396.488 -0.050 20 0 GBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000359976521 209209546 /nfs/dbraw/zinc/20/95/46/209209546.db2.gz HVVIMIJQYCWELG-HOTGVXAUSA-N 1 1 396.488 -0.050 20 0 GBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000359976524 206275202 /nfs/dbraw/zinc/27/52/02/206275202.db2.gz HVVIMIJQYCWELG-HZPDHXFCSA-N 1 1 396.488 -0.050 20 0 GBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000359976529 209208610 /nfs/dbraw/zinc/20/86/10/209208610.db2.gz HVVIMIJQYCWELG-JKSUJKDBSA-N 1 1 396.488 -0.050 20 0 GBADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000360538717 530302971 /nfs/dbraw/zinc/30/29/71/530302971.db2.gz NBASNALZUSLQKV-AWEZNQCLSA-N 1 1 377.488 -0.274 20 0 GBADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000360538717 530302969 /nfs/dbraw/zinc/30/29/69/530302969.db2.gz NBASNALZUSLQKV-AWEZNQCLSA-N 1 1 377.488 -0.274 20 0 GBADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000360538718 530302599 /nfs/dbraw/zinc/30/25/99/530302599.db2.gz NBASNALZUSLQKV-CQSZACIVSA-N 1 1 377.488 -0.274 20 0 GBADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000360538718 530302597 /nfs/dbraw/zinc/30/25/97/530302597.db2.gz NBASNALZUSLQKV-CQSZACIVSA-N 1 1 377.488 -0.274 20 0 GBADMO COCCCS(=O)(=O)NCCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000360777230 530302956 /nfs/dbraw/zinc/30/29/56/530302956.db2.gz KOHIIDYHSDKIBG-HNNXBMFYSA-N 1 1 376.523 -0.644 20 0 GBADMO COCCCS(=O)(=O)NCCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000360777231 530302590 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ZINC000378488510 1073269619 /nfs/dbraw/zinc/26/96/19/1073269619.db2.gz BDWNLVMIMMTPAS-RDJZCZTQSA-N 1 1 390.488 -0.294 20 0 GBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)[C@H]2C1 ZINC000378488511 1073269934 /nfs/dbraw/zinc/26/99/34/1073269934.db2.gz BDWNLVMIMMTPAS-WBVHZDCISA-N 1 1 390.488 -0.294 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n(C)c1 ZINC000378496150 1073270425 /nfs/dbraw/zinc/27/04/25/1073270425.db2.gz MSKCYDXDIGSLOG-GDBMZVCRSA-N 1 1 384.502 -0.053 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n(C)c1 ZINC000378496151 1073270444 /nfs/dbraw/zinc/27/04/44/1073270444.db2.gz MSKCYDXDIGSLOG-GOEBONIOSA-N 1 1 384.502 -0.053 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n(C)c1 ZINC000378496152 1073270336 /nfs/dbraw/zinc/27/03/36/1073270336.db2.gz MSKCYDXDIGSLOG-HOCLYGCPSA-N 1 1 384.502 -0.053 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n(C)c1 ZINC000378496153 1073270358 /nfs/dbraw/zinc/27/03/58/1073270358.db2.gz MSKCYDXDIGSLOG-ZBFHGGJFSA-N 1 1 384.502 -0.053 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000378510291 1073271087 /nfs/dbraw/zinc/27/10/87/1073271087.db2.gz DVMVLJFHWFPDJA-CVEARBPZSA-N 1 1 396.488 -0.144 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000378510292 1073271310 /nfs/dbraw/zinc/27/13/10/1073271310.db2.gz DVMVLJFHWFPDJA-HOTGVXAUSA-N 1 1 396.488 -0.144 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000378510293 1073271206 /nfs/dbraw/zinc/27/12/06/1073271206.db2.gz DVMVLJFHWFPDJA-HZPDHXFCSA-N 1 1 396.488 -0.144 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000378510294 1073271138 /nfs/dbraw/zinc/27/11/38/1073271138.db2.gz DVMVLJFHWFPDJA-JKSUJKDBSA-N 1 1 396.488 -0.144 20 0 GBADMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378535580 530326893 /nfs/dbraw/zinc/32/68/93/530326893.db2.gz SCMLASFPBLTKAL-AWEZNQCLSA-N 1 1 383.536 -0.558 20 0 GBADMO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378535580 530326892 /nfs/dbraw/zinc/32/68/92/530326892.db2.gz SCMLASFPBLTKAL-AWEZNQCLSA-N 1 1 383.536 -0.558 20 0 GBADMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378535581 530327036 /nfs/dbraw/zinc/32/70/36/530327036.db2.gz SCMLASFPBLTKAL-CQSZACIVSA-N 1 1 383.536 -0.558 20 0 GBADMO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378535581 530327035 /nfs/dbraw/zinc/32/70/35/530327035.db2.gz SCMLASFPBLTKAL-CQSZACIVSA-N 1 1 383.536 -0.558 20 0 GBADMO Cn1cc(-c2nc([C@@H]3COCCN3CC(=O)N3CC[NH+](C)CC3)no2)cn1 ZINC000378544899 1073274535 /nfs/dbraw/zinc/27/45/35/1073274535.db2.gz AHJLRTONKZCTOV-AWEZNQCLSA-N 1 1 375.433 -0.383 20 0 GBADMO Cn1cc(-c2nc([C@H]3COCCN3CC(=O)N3CC[NH+](C)CC3)no2)cn1 ZINC000378544900 1073274351 /nfs/dbraw/zinc/27/43/51/1073274351.db2.gz AHJLRTONKZCTOV-CQSZACIVSA-N 1 1 375.433 -0.383 20 0 GBADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000378579979 1073276945 /nfs/dbraw/zinc/27/69/45/1073276945.db2.gz RJXRAXKWQOXSHC-UHFFFAOYSA-N 1 1 386.518 -0.529 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)NC3(CCC(=O)CC3)C2=O)C1 ZINC000378602779 1073278981 /nfs/dbraw/zinc/27/89/81/1073278981.db2.gz BAJNAJQSYMKKMH-HNNXBMFYSA-N 1 1 394.472 -0.107 20 0 GBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)NC3(CCC(=O)CC3)C2=O)C1 ZINC000378602781 1073278765 /nfs/dbraw/zinc/27/87/65/1073278765.db2.gz BAJNAJQSYMKKMH-OAHLLOKOSA-N 1 1 394.472 -0.107 20 0 GBADMO COC(=O)C1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000378604224 530326883 /nfs/dbraw/zinc/32/68/83/530326883.db2.gz GFOLPCPVNCGNJZ-CABCVRRESA-N 1 1 375.491 -0.353 20 0 GBADMO COC(=O)C1CCN(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000378604225 530326990 /nfs/dbraw/zinc/32/69/90/530326990.db2.gz GFOLPCPVNCGNJZ-GJZGRUSLSA-N 1 1 375.491 -0.353 20 0 GBADMO COC(=O)C1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000378604226 530327052 /nfs/dbraw/zinc/32/70/52/530327052.db2.gz GFOLPCPVNCGNJZ-HUUCEWRRSA-N 1 1 375.491 -0.353 20 0 GBADMO COC(=O)C1CCN(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000378604227 530326797 /nfs/dbraw/zinc/32/67/97/530326797.db2.gz GFOLPCPVNCGNJZ-LSDHHAIUSA-N 1 1 375.491 -0.353 20 0 GBADMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000378623786 1073281844 /nfs/dbraw/zinc/28/18/44/1073281844.db2.gz QOSJGBWPGKIHGI-GFCCVEGCSA-N 1 1 381.433 -0.891 20 0 GBADMO CNC(=O)[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000378623786 1073281838 /nfs/dbraw/zinc/28/18/38/1073281838.db2.gz QOSJGBWPGKIHGI-GFCCVEGCSA-N 1 1 381.433 -0.891 20 0 GBADMO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000378623787 1073281804 /nfs/dbraw/zinc/28/18/04/1073281804.db2.gz QOSJGBWPGKIHGI-LBPRGKRZSA-N 1 1 381.433 -0.891 20 0 GBADMO CNC(=O)[C@@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000378623787 1073281800 /nfs/dbraw/zinc/28/18/00/1073281800.db2.gz QOSJGBWPGKIHGI-LBPRGKRZSA-N 1 1 381.433 -0.891 20 0 GBADMO CS(=O)(=O)CC[C@H](N)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390939645 1073646655 /nfs/dbraw/zinc/64/66/55/1073646655.db2.gz PTRQOFRESZSPRO-KRWDZBQOSA-N 1 1 382.530 -0.318 20 0 GBADMO CS(=O)(=O)CC[C@@H](N)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390939652 1073646455 /nfs/dbraw/zinc/64/64/55/1073646455.db2.gz PTRQOFRESZSPRO-QGZVFWFLSA-N 1 1 382.530 -0.318 20 0 GBADMO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000391034898 1072957868 /nfs/dbraw/zinc/95/78/68/1072957868.db2.gz YNDHTNYBAGQDHZ-GOSISDBHSA-N 1 1 382.530 -0.288 20 0 GBADMO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000391034904 1073661096 /nfs/dbraw/zinc/66/10/96/1073661096.db2.gz YNDHTNYBAGQDHZ-SFHVURJKSA-N 1 1 382.530 -0.288 20 0 GBADMO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000391636390 530282274 /nfs/dbraw/zinc/28/22/74/530282274.db2.gz XRKJRUHYAFMFDA-CYBMUJFWSA-N 1 1 381.564 -0.038 20 0 GBADMO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000391636394 530282357 /nfs/dbraw/zinc/28/23/57/530282357.db2.gz XRKJRUHYAFMFDA-ZDUSSCGKSA-N 1 1 381.564 -0.038 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405554548 530451913 /nfs/dbraw/zinc/45/19/13/530451913.db2.gz AJOXCFYTDMQYMQ-NWDGAFQWSA-N 1 1 375.472 -0.966 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405554548 530451912 /nfs/dbraw/zinc/45/19/12/530451912.db2.gz AJOXCFYTDMQYMQ-NWDGAFQWSA-N 1 1 375.472 -0.966 20 0 GBADMO C[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000407974357 1073046992 /nfs/dbraw/zinc/04/69/92/1073046992.db2.gz AGHMPXUBTJWMPI-OWCLPIDISA-N 1 1 380.489 -0.223 20 0 GBADMO C[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000407974361 1073046376 /nfs/dbraw/zinc/04/63/76/1073046376.db2.gz AGHMPXUBTJWMPI-XHSDSOJGSA-N 1 1 380.489 -0.223 20 0 GBADMO CN(C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000407983074 1073049577 /nfs/dbraw/zinc/04/95/77/1073049577.db2.gz MYXSIYJLNVZLQN-UHFFFAOYSA-N 1 1 389.522 -0.784 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000407995754 530132286 /nfs/dbraw/zinc/13/22/86/530132286.db2.gz IYWQMCISBXKYJN-KFWWJZLASA-N 1 1 376.523 -0.271 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000407995756 530091700 /nfs/dbraw/zinc/09/17/00/530091700.db2.gz IYWQMCISBXKYJN-KKUMJFAQSA-N 1 1 376.523 -0.271 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000407995758 530132137 /nfs/dbraw/zinc/13/21/37/530132137.db2.gz IYWQMCISBXKYJN-QLFBSQMISA-N 1 1 376.523 -0.271 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000407995758 530132134 /nfs/dbraw/zinc/13/21/34/530132134.db2.gz IYWQMCISBXKYJN-QLFBSQMISA-N 1 1 376.523 -0.271 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000407995760 530132336 /nfs/dbraw/zinc/13/23/36/530132336.db2.gz IYWQMCISBXKYJN-ZNMIVQPWSA-N 1 1 376.523 -0.271 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000407995760 530132332 /nfs/dbraw/zinc/13/23/32/530132332.db2.gz IYWQMCISBXKYJN-ZNMIVQPWSA-N 1 1 376.523 -0.271 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000407999943 1073056994 /nfs/dbraw/zinc/05/69/94/1073056994.db2.gz YCLOSWHAMXTVCJ-AWEZNQCLSA-N 1 1 386.474 -0.419 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000407999944 1073057087 /nfs/dbraw/zinc/05/70/87/1073057087.db2.gz YCLOSWHAMXTVCJ-CQSZACIVSA-N 1 1 386.474 -0.419 20 0 GBADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)NC(C)C)CC2)CC1 ZINC000408009192 530132842 /nfs/dbraw/zinc/13/28/42/530132842.db2.gz KROTUZJODBFWTB-HNNXBMFYSA-N 1 1 375.539 -0.601 20 0 GBADMO 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GXEACGMQTFXHHW-ZDUSSCGKSA-N 1 1 375.429 -0.158 20 0 GBADMO COC(=O)c1sccc1NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415600395 1073210239 /nfs/dbraw/zinc/21/02/39/1073210239.db2.gz HLPOVKJNUZDHQU-LLVKDONJSA-N 1 1 394.453 -0.104 20 0 GBADMO COC(=O)c1sccc1NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415600397 1073210705 /nfs/dbraw/zinc/21/07/05/1073210705.db2.gz HLPOVKJNUZDHQU-NSHDSACASA-N 1 1 394.453 -0.104 20 0 GBADMO O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415600894 1073210396 /nfs/dbraw/zinc/21/03/96/1073210396.db2.gz IFORGTXTZPBBAJ-INIZCTEOSA-N 1 1 397.439 -0.371 20 0 GBADMO O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415600895 1073210590 /nfs/dbraw/zinc/21/05/90/1073210590.db2.gz IFORGTXTZPBBAJ-MRXNPFEDSA-N 1 1 397.439 -0.371 20 0 GBADMO CC(C)Cn1cc(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000415600898 1073210267 /nfs/dbraw/zinc/21/02/67/1073210267.db2.gz IHEXDBAQWTWQAL-HNNXBMFYSA-N 1 1 376.461 -0.100 20 0 GBADMO 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ZINC000415603625 1073211284 /nfs/dbraw/zinc/21/12/84/1073211284.db2.gz LZKLJUMUMDAMOI-AWEZNQCLSA-N 1 1 384.440 -0.065 20 0 GBADMO Cn1cnc2cc(NC(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)ccc21 ZINC000415603630 1073211129 /nfs/dbraw/zinc/21/11/29/1073211129.db2.gz LZKLJUMUMDAMOI-CQSZACIVSA-N 1 1 384.440 -0.065 20 0 GBADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c2)nn1 ZINC000415605002 1073211539 /nfs/dbraw/zinc/21/15/39/1073211539.db2.gz GNPXFDHURXTRIN-UHFFFAOYSA-N 1 1 382.327 -0.297 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000415605101 1073211248 /nfs/dbraw/zinc/21/12/48/1073211248.db2.gz GVRSVUBMQOZMCL-UHFFFAOYSA-N 1 1 394.375 -0.085 20 0 GBADMO O=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415606587 1073211327 /nfs/dbraw/zinc/21/13/27/1073211327.db2.gz PVYCSSGDQORKRN-AWEZNQCLSA-N 1 1 388.424 -0.181 20 0 GBADMO O=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415606592 1073211010 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CCCCn1nccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415846914 1073225796 /nfs/dbraw/zinc/22/57/96/1073225796.db2.gz BCYGGQLWPMKNTM-UHFFFAOYSA-N 1 1 398.489 -0.933 20 0 GBADMO CCOc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000415847661 1073226483 /nfs/dbraw/zinc/22/64/83/1073226483.db2.gz CKBUKQQGJUGEBB-UHFFFAOYSA-N 1 1 396.469 -0.530 20 0 GBADMO CSc1ccccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415848221 1073225893 /nfs/dbraw/zinc/22/58/93/1073225893.db2.gz CRQSBQNICQNECX-UHFFFAOYSA-N 1 1 398.510 -0.207 20 0 GBADMO O=C(Nc1cc(F)cc(F)c1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415848273 1073225742 /nfs/dbraw/zinc/22/57/42/1073225742.db2.gz CTRWVURLKVWKGL-UHFFFAOYSA-N 1 1 388.396 -0.651 20 0 GBADMO Cc1cc(F)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415848425 1073226161 /nfs/dbraw/zinc/22/61/61/1073226161.db2.gz DEBVFIVBQBVRBH-UHFFFAOYSA-N 1 1 384.433 -0.482 20 0 GBADMO Cc1cc(C)nc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000415848627 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UVWGQZSPCDDUNM-UHFFFAOYSA-N 1 1 384.433 -0.482 20 0 GBADMO Cc1ccc(F)cc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415865830 1073229121 /nfs/dbraw/zinc/22/91/21/1073229121.db2.gz UZFRDGOIEKWJBY-UHFFFAOYSA-N 1 1 384.433 -0.482 20 0 GBADMO Cc1cccc(F)c1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415866252 1073229127 /nfs/dbraw/zinc/22/91/27/1073229127.db2.gz VBMFDZRAOJMAFC-UHFFFAOYSA-N 1 1 384.433 -0.482 20 0 GBADMO CCc1ncsc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415866254 530270868 /nfs/dbraw/zinc/27/08/68/530270868.db2.gz VBMQGAAXEIPABM-UHFFFAOYSA-N 1 1 387.487 -0.910 20 0 GBADMO COc1ccccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415866755 1073227871 /nfs/dbraw/zinc/22/78/71/1073227871.db2.gz VXDKKDGWEYCSEX-UHFFFAOYSA-N 1 1 382.442 -0.921 20 0 GBADMO O=C(Nc1c(F)cccc1F)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415867194 1073228280 /nfs/dbraw/zinc/22/82/80/1073228280.db2.gz WPBVPISSJDYWHS-UHFFFAOYSA-N 1 1 388.396 -0.651 20 0 GBADMO 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CXEBIJKIOCHZFO-UHFFFAOYSA-N 1 1 383.456 -0.208 20 0 GBADMO COCCn1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000416147676 1073249043 /nfs/dbraw/zinc/24/90/43/1073249043.db2.gz RRJSEBSDBVVSQX-UHFFFAOYSA-N 1 1 386.456 -0.001 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cn1C ZINC000416288505 1073101572 /nfs/dbraw/zinc/10/15/72/1073101572.db2.gz DGHWLEZUCJRGEK-CHWSQXEVSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cn1C ZINC000416288512 1073101421 /nfs/dbraw/zinc/10/14/21/1073101421.db2.gz DGHWLEZUCJRGEK-OLZOCXBDSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cn1C ZINC000416288513 1073101457 /nfs/dbraw/zinc/10/14/57/1073101457.db2.gz DGHWLEZUCJRGEK-QWHCGFSZSA-N 1 1 387.506 -0.690 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cn1C ZINC000416288514 1073258607 /nfs/dbraw/zinc/25/86/07/1073258607.db2.gz DGHWLEZUCJRGEK-STQMWFEESA-N 1 1 387.506 -0.690 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000416288709 530270766 /nfs/dbraw/zinc/27/07/66/530270766.db2.gz DMHCUHJLSDNTBL-NXEZZACHSA-N 1 1 389.250 -0.375 20 0 GBADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000416288710 530270898 /nfs/dbraw/zinc/27/08/98/530270898.db2.gz DMHCUHJLSDNTBL-UWVGGRQHSA-N 1 1 389.250 -0.375 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000416288711 530270783 /nfs/dbraw/zinc/27/07/83/530270783.db2.gz DMHCUHJLSDNTBL-VHSXEESVSA-N 1 1 389.250 -0.375 20 0 GBADMO C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)C[N@H+]1CCO ZINC000416288712 530270684 /nfs/dbraw/zinc/27/06/84/530270684.db2.gz DMHCUHJLSDNTBL-ZJUUUORDSA-N 1 1 389.250 -0.375 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000416294743 1073259012 /nfs/dbraw/zinc/25/90/12/1073259012.db2.gz LJMPWOUDSCZMHB-CHWSQXEVSA-N 1 1 389.456 -0.532 20 0 GBADMO 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/nfs/dbraw/zinc/72/09/52/1073720952.db2.gz XYVMACUTKVJHPP-QGZVFWFLSA-N 1 1 396.532 -0.120 20 0 GBADMO CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418814821 1073722058 /nfs/dbraw/zinc/72/20/58/1073722058.db2.gz VXTVXQBFJLHDSB-CABCVRRESA-N 1 1 396.488 -0.354 20 0 GBADMO CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418814822 1073721762 /nfs/dbraw/zinc/72/17/62/1073721762.db2.gz VXTVXQBFJLHDSB-GJZGRUSLSA-N 1 1 396.488 -0.354 20 0 GBADMO CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418814823 1073721738 /nfs/dbraw/zinc/72/17/38/1073721738.db2.gz VXTVXQBFJLHDSB-HUUCEWRRSA-N 1 1 396.488 -0.354 20 0 GBADMO CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418814824 1073721615 /nfs/dbraw/zinc/72/16/15/1073721615.db2.gz VXTVXQBFJLHDSB-LSDHHAIUSA-N 1 1 396.488 -0.354 20 0 GBADMO CN(CCNC(=O)C(=O)NCC(F)(F)C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000418820332 1073723499 /nfs/dbraw/zinc/72/34/99/1073723499.db2.gz FIYMDIOJHFEEKA-UHFFFAOYSA-N 1 1 396.391 -0.727 20 0 GBADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418821437 1073722984 /nfs/dbraw/zinc/72/29/84/1073722984.db2.gz QKKRQEAETYYWNN-GDBMZVCRSA-N 1 1 390.488 -0.633 20 0 GBADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418821442 1073722951 /nfs/dbraw/zinc/72/29/51/1073722951.db2.gz QKKRQEAETYYWNN-GOEBONIOSA-N 1 1 390.488 -0.633 20 0 GBADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418821443 1073722553 /nfs/dbraw/zinc/72/25/53/1073722553.db2.gz QKKRQEAETYYWNN-HOCLYGCPSA-N 1 1 390.488 -0.633 20 0 GBADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418821444 1073722971 /nfs/dbraw/zinc/72/29/71/1073722971.db2.gz QKKRQEAETYYWNN-ZBFHGGJFSA-N 1 1 390.488 -0.633 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCS(C)(=O)=O ZINC000418823354 1073722796 /nfs/dbraw/zinc/72/27/96/1073722796.db2.gz SCHWFVTVHIYDNJ-AWEZNQCLSA-N 1 1 383.470 -0.281 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCS(C)(=O)=O ZINC000418823363 1073722726 /nfs/dbraw/zinc/72/27/26/1073722726.db2.gz SCHWFVTVHIYDNJ-CQSZACIVSA-N 1 1 383.470 -0.281 20 0 GBADMO COc1ccccc1[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCCC1 ZINC000418826558 1073723859 /nfs/dbraw/zinc/72/38/59/1073723859.db2.gz BIGTZCSBVFABTB-INIZCTEOSA-N 1 1 378.473 -0.272 20 0 GBADMO COc1ccccc1[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCCC1 ZINC000418826561 1073723521 /nfs/dbraw/zinc/72/35/21/1073723521.db2.gz BIGTZCSBVFABTB-MRXNPFEDSA-N 1 1 378.473 -0.272 20 0 GBADMO COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)N(C)C)cc1OC ZINC000418832771 1073724312 /nfs/dbraw/zinc/72/43/12/1073724312.db2.gz MIQOCMPZFZWION-CABCVRRESA-N 1 1 394.472 -0.391 20 0 GBADMO COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)N(C)C)cc1OC ZINC000418832785 1073724693 /nfs/dbraw/zinc/72/46/93/1073724693.db2.gz MIQOCMPZFZWION-GJZGRUSLSA-N 1 1 394.472 -0.391 20 0 GBADMO COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)N(C)C)cc1OC ZINC000418832787 1073724679 /nfs/dbraw/zinc/72/46/79/1073724679.db2.gz MIQOCMPZFZWION-HUUCEWRRSA-N 1 1 394.472 -0.391 20 0 GBADMO COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)N(C)C)cc1OC ZINC000418832789 1073725557 /nfs/dbraw/zinc/72/55/57/1073725557.db2.gz MIQOCMPZFZWION-LSDHHAIUSA-N 1 1 394.472 -0.391 20 0 GBADMO CC(C)(CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CCOCC1 ZINC000418835018 1073725633 /nfs/dbraw/zinc/72/56/33/1073725633.db2.gz NBIKQJBJHIOXCB-INIZCTEOSA-N 1 1 375.473 -0.219 20 0 GBADMO CC(C)(CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CCOCC1 ZINC000418835021 1073725535 /nfs/dbraw/zinc/72/55/35/1073725535.db2.gz NBIKQJBJHIOXCB-MRXNPFEDSA-N 1 1 375.473 -0.219 20 0 GBADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837002 1073725447 /nfs/dbraw/zinc/72/54/47/1073725447.db2.gz SHLQCLDMNODWND-KBPBESRZSA-N 1 1 395.529 -0.220 20 0 GBADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837003 1073944123 /nfs/dbraw/zinc/94/41/23/1073944123.db2.gz SHLQCLDMNODWND-KGLIPLIRSA-N 1 1 395.529 -0.220 20 0 GBADMO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837006 1073944139 /nfs/dbraw/zinc/94/41/39/1073944139.db2.gz SHLQCLDMNODWND-UONOGXRCSA-N 1 1 395.529 -0.220 20 0 GBADMO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837008 1073943884 /nfs/dbraw/zinc/94/38/84/1073943884.db2.gz SHLQCLDMNODWND-ZIAGYGMSSA-N 1 1 395.529 -0.220 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418837273 1073725286 /nfs/dbraw/zinc/72/52/86/1073725286.db2.gz ADCWZTIHVSLCTL-MOPGFXCFSA-N 1 1 385.512 -0.259 20 0 GBADMO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418837595 1073726561 /nfs/dbraw/zinc/72/65/61/1073726561.db2.gz AWNLJPFNLULONI-KRWDZBQOSA-N 1 1 375.517 -0.108 20 0 GBADMO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418837596 1073726291 /nfs/dbraw/zinc/72/62/91/1073726291.db2.gz AWNLJPFNLULONI-QGZVFWFLSA-N 1 1 375.517 -0.108 20 0 GBADMO COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)N(C)C)c1 ZINC000418837644 1073725239 /nfs/dbraw/zinc/72/52/39/1073725239.db2.gz BAGUITPZOXAUBY-DLBZAZTESA-N 1 1 378.473 -0.091 20 0 GBADMO COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)N(C)C)c1 ZINC000418837647 1073725517 /nfs/dbraw/zinc/72/55/17/1073725517.db2.gz BAGUITPZOXAUBY-IAGOWNOFSA-N 1 1 378.473 -0.091 20 0 GBADMO COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)N(C)C)c1 ZINC000418837649 1073725121 /nfs/dbraw/zinc/72/51/21/1073725121.db2.gz BAGUITPZOXAUBY-IRXDYDNUSA-N 1 1 378.473 -0.091 20 0 GBADMO COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)N(C)C)c1 ZINC000418837651 1073725333 /nfs/dbraw/zinc/72/53/33/1073725333.db2.gz BAGUITPZOXAUBY-SJORKVTESA-N 1 1 378.473 -0.091 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418837905 1073725079 /nfs/dbraw/zinc/72/50/79/1073725079.db2.gz BMOOKCSPCKZJSJ-KDURUIRLSA-N 1 1 385.512 -0.402 20 0 GBADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000418838576 1073725482 /nfs/dbraw/zinc/72/54/82/1073725482.db2.gz VMMJNSQKTJRHJW-CABCVRRESA-N 1 1 391.472 -0.579 20 0 GBADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000418838577 1073725271 /nfs/dbraw/zinc/72/52/71/1073725271.db2.gz VMMJNSQKTJRHJW-GJZGRUSLSA-N 1 1 391.472 -0.579 20 0 GBADMO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000418838578 1073725145 /nfs/dbraw/zinc/72/51/45/1073725145.db2.gz VMMJNSQKTJRHJW-HUUCEWRRSA-N 1 1 391.472 -0.579 20 0 GBADMO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000418838579 1073725351 /nfs/dbraw/zinc/72/53/51/1073725351.db2.gz VMMJNSQKTJRHJW-LSDHHAIUSA-N 1 1 391.472 -0.579 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418839185 1073726412 /nfs/dbraw/zinc/72/64/12/1073726412.db2.gz DECDMFMDMDOGJT-UHFFFAOYSA-N 1 1 385.512 -0.044 20 0 GBADMO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000418841415 1073726079 /nfs/dbraw/zinc/72/60/79/1073726079.db2.gz GJZCDALGUNXJHM-GOSISDBHSA-N 1 1 389.500 -0.894 20 0 GBADMO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000418841424 1073726396 /nfs/dbraw/zinc/72/63/96/1073726396.db2.gz GJZCDALGUNXJHM-SFHVURJKSA-N 1 1 389.500 -0.894 20 0 GBADMO CCc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)N(C)C)cc1 ZINC000418841535 1073727402 /nfs/dbraw/zinc/72/74/02/1073727402.db2.gz GRGWGAGZUFYARG-GOSISDBHSA-N 1 1 375.517 -0.011 20 0 GBADMO CCc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)N(C)C)cc1 ZINC000418841539 1073727594 /nfs/dbraw/zinc/72/75/94/1073727594.db2.gz GRGWGAGZUFYARG-SFHVURJKSA-N 1 1 375.517 -0.011 20 0 GBADMO COc1cccc([C@@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)N(C)C)c1 ZINC000418841566 1073726380 /nfs/dbraw/zinc/72/63/80/1073726380.db2.gz GSOQUTCPCQEGLT-DLBZAZTESA-N 1 1 378.473 -0.010 20 0 GBADMO COc1cccc([C@@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)N(C)C)c1 ZINC000418841568 1073726194 /nfs/dbraw/zinc/72/61/94/1073726194.db2.gz GSOQUTCPCQEGLT-IAGOWNOFSA-N 1 1 378.473 -0.010 20 0 GBADMO COc1cccc([C@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)N(C)C)c1 ZINC000418841570 1073726584 /nfs/dbraw/zinc/72/65/84/1073726584.db2.gz GSOQUTCPCQEGLT-IRXDYDNUSA-N 1 1 378.473 -0.010 20 0 GBADMO COc1cccc([C@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)N(C)C)c1 ZINC000418841573 1073726468 /nfs/dbraw/zinc/72/64/68/1073726468.db2.gz GSOQUTCPCQEGLT-SJORKVTESA-N 1 1 378.473 -0.010 20 0 GBADMO Cc1ccn2cc(CNC(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)nc2c1 ZINC000418841977 1073726013 /nfs/dbraw/zinc/72/60/13/1073726013.db2.gz GFGLTNLZFJYJKU-INIZCTEOSA-N 1 1 398.467 -0.318 20 0 GBADMO Cc1ccn2cc(CNC(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nc2c1 ZINC000418841980 1073726170 /nfs/dbraw/zinc/72/61/70/1073726170.db2.gz GFGLTNLZFJYJKU-MRXNPFEDSA-N 1 1 398.467 -0.318 20 0 GBADMO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn2c1 ZINC000418843372 1073727580 /nfs/dbraw/zinc/72/75/80/1073727580.db2.gz IDGPUDIOIYXVSV-INIZCTEOSA-N 1 1 398.467 -0.318 20 0 GBADMO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cn2c1 ZINC000418843377 1073727635 /nfs/dbraw/zinc/72/76/35/1073727635.db2.gz IDGPUDIOIYXVSV-MRXNPFEDSA-N 1 1 398.467 -0.318 20 0 GBADMO C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418845940 1073727042 /nfs/dbraw/zinc/72/70/42/1073727042.db2.gz PYWPYEZCTXNQMI-JTQLQIEISA-N 1 1 392.428 -0.176 20 0 GBADMO C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418845941 1073727077 /nfs/dbraw/zinc/72/70/77/1073727077.db2.gz PYWPYEZCTXNQMI-SNVBAGLBSA-N 1 1 392.428 -0.176 20 0 GBADMO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CCCC1 ZINC000418846223 1073727210 /nfs/dbraw/zinc/72/72/10/1073727210.db2.gz XOOBFLQTOJGSOH-INIZCTEOSA-N 1 1 393.532 -0.353 20 0 GBADMO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CCCC1 ZINC000418846224 1073727366 /nfs/dbraw/zinc/72/73/66/1073727366.db2.gz XOOBFLQTOJGSOH-MRXNPFEDSA-N 1 1 393.532 -0.353 20 0 GBADMO O=C(NCc1cccc2c1OCO2)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418846874 1073727704 /nfs/dbraw/zinc/72/77/04/1073727704.db2.gz SZEZLMCBWLHFDJ-AWEZNQCLSA-N 1 1 388.424 -0.546 20 0 GBADMO O=C(NCc1cccc2c1OCO2)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418846875 1073727749 /nfs/dbraw/zinc/72/77/49/1073727749.db2.gz SZEZLMCBWLHFDJ-CQSZACIVSA-N 1 1 388.424 -0.546 20 0 GBADMO CCN(CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)S(C)(=O)=O ZINC000418851839 1073728290 /nfs/dbraw/zinc/72/82/90/1073728290.db2.gz TWPOGJHPQBIDIP-HNNXBMFYSA-N 1 1 397.501 -0.658 20 0 GBADMO CCN(CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)S(C)(=O)=O ZINC000418851843 1073728560 /nfs/dbraw/zinc/72/85/60/1073728560.db2.gz TWPOGJHPQBIDIP-OAHLLOKOSA-N 1 1 397.501 -0.658 20 0 GBADMO C[NH2+]CCCN(C)C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418858270 1073728643 /nfs/dbraw/zinc/72/86/43/1073728643.db2.gz IXERBONWFJUCDM-UHFFFAOYSA-N 1 1 375.517 -0.012 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418859273 1073729551 /nfs/dbraw/zinc/72/95/51/1073729551.db2.gz KNXJYMAPULTWGD-PMACEKPBSA-N 1 1 399.539 -0.012 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418859277 1073729521 /nfs/dbraw/zinc/72/95/21/1073729521.db2.gz KNXJYMAPULTWGD-UXHICEINSA-N 1 1 399.539 -0.012 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418859279 1073729655 /nfs/dbraw/zinc/72/96/55/1073729655.db2.gz KNXJYMAPULTWGD-VQTJNVASSA-N 1 1 399.539 -0.012 20 0 GBADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418859281 1073729636 /nfs/dbraw/zinc/72/96/36/1073729636.db2.gz KNXJYMAPULTWGD-WOJBJXKFSA-N 1 1 399.539 -0.012 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418860601 1073729216 /nfs/dbraw/zinc/72/92/16/1073729216.db2.gz CZVTZEZKKRCGLH-HNNXBMFYSA-N 1 1 390.440 -0.857 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC000418860602 1073729736 /nfs/dbraw/zinc/72/97/36/1073729736.db2.gz CZVTZEZKKRCGLH-OAHLLOKOSA-N 1 1 390.440 -0.857 20 0 GBADMO C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000418862571 1073729501 /nfs/dbraw/zinc/72/95/01/1073729501.db2.gz AOOZPJQWMPYKEH-BZUAXINKSA-N 1 1 380.489 -0.269 20 0 GBADMO C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000418862573 1073950464 /nfs/dbraw/zinc/95/04/64/1073950464.db2.gz AOOZPJQWMPYKEH-OAGGEKHMSA-N 1 1 380.489 -0.269 20 0 GBADMO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000418862575 1073729669 /nfs/dbraw/zinc/72/96/69/1073729669.db2.gz AOOZPJQWMPYKEH-OWCLPIDISA-N 1 1 380.489 -0.269 20 0 GBADMO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000418862576 1073729581 /nfs/dbraw/zinc/72/95/81/1073729581.db2.gz AOOZPJQWMPYKEH-PMPSAXMXSA-N 1 1 380.489 -0.269 20 0 GBADMO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000418862802 1073729225 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ZINC000419078493 1073774127 /nfs/dbraw/zinc/77/41/27/1073774127.db2.gz LCWIFBDNQUDQDG-SJORKVTESA-N 1 1 393.532 -0.210 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000419083351 1073775911 /nfs/dbraw/zinc/77/59/11/1073775911.db2.gz WOBLCVBXPMECBB-AWEZNQCLSA-N 1 1 388.424 -0.567 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000419083352 1073776088 /nfs/dbraw/zinc/77/60/88/1073776088.db2.gz WOBLCVBXPMECBB-CQSZACIVSA-N 1 1 388.424 -0.567 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000419085286 1073777658 /nfs/dbraw/zinc/77/76/58/1073777658.db2.gz VQQHQBUBYNBBHC-UHFFFAOYSA-N 1 1 398.460 -0.804 20 0 GBADMO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000419088624 1073777783 /nfs/dbraw/zinc/77/77/83/1073777783.db2.gz RLUSXIWCJBQBCK-AWEZNQCLSA-N 1 1 375.429 -0.871 20 0 GBADMO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000419088625 1073777723 /nfs/dbraw/zinc/77/77/23/1073777723.db2.gz RLUSXIWCJBQBCK-CQSZACIVSA-N 1 1 375.429 -0.871 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000419091001 1073777678 /nfs/dbraw/zinc/77/76/78/1073777678.db2.gz SBLGEYBRUILZGV-GXTWGEPZSA-N 1 1 383.470 -0.283 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000419091002 1073777596 /nfs/dbraw/zinc/77/75/96/1073777596.db2.gz SBLGEYBRUILZGV-JSGCOSHPSA-N 1 1 383.470 -0.283 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000419091003 1073777541 /nfs/dbraw/zinc/77/75/41/1073777541.db2.gz SBLGEYBRUILZGV-OCCSQVGLSA-N 1 1 383.470 -0.283 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000419091004 1073777690 /nfs/dbraw/zinc/77/76/90/1073777690.db2.gz SBLGEYBRUILZGV-TZMCWYRMSA-N 1 1 383.470 -0.283 20 0 GBADMO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC000419104289 1073782009 /nfs/dbraw/zinc/78/20/09/1073782009.db2.gz AHLGAURTNHZFSF-DOTOQJQBSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC000419104291 1073781819 /nfs/dbraw/zinc/78/18/19/1073781819.db2.gz AHLGAURTNHZFSF-NVXWUHKLSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000419104293 1073781944 /nfs/dbraw/zinc/78/19/44/1073781944.db2.gz AHLGAURTNHZFSF-RDJZCZTQSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000419104295 1073782173 /nfs/dbraw/zinc/78/21/73/1073782173.db2.gz AHLGAURTNHZFSF-WBVHZDCISA-N 1 1 388.516 -0.107 20 0 GBADMO O=C(NCCc1cn2ccccc2n1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419104698 1073782620 /nfs/dbraw/zinc/78/26/20/1073782620.db2.gz BCMKGSVKSKWTPJ-INIZCTEOSA-N 1 1 398.467 -0.584 20 0 GBADMO O=C(NCCc1cn2ccccc2n1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419104699 1073782849 /nfs/dbraw/zinc/78/28/49/1073782849.db2.gz BCMKGSVKSKWTPJ-MRXNPFEDSA-N 1 1 398.467 -0.584 20 0 GBADMO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419111372 1073781977 /nfs/dbraw/zinc/78/19/77/1073781977.db2.gz JAWLHIMJUZVXNH-INIZCTEOSA-N 1 1 376.505 -0.061 20 0 GBADMO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419111373 1073781777 /nfs/dbraw/zinc/78/17/77/1073781777.db2.gz JAWLHIMJUZVXNH-MRXNPFEDSA-N 1 1 376.505 -0.061 20 0 GBADMO COc1cc(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000419117982 1073787359 /nfs/dbraw/zinc/78/73/59/1073787359.db2.gz MYPRZYRVUQRXEY-AWEZNQCLSA-N 1 1 375.429 -0.871 20 0 GBADMO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000419117983 1073787494 /nfs/dbraw/zinc/78/74/94/1073787494.db2.gz MYPRZYRVUQRXEY-CQSZACIVSA-N 1 1 375.429 -0.871 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCN(C)CC1 ZINC000419127970 1073784734 /nfs/dbraw/zinc/78/47/34/1073784734.db2.gz UIESPYIVCZVOHA-FJIDUMEYSA-N 1 1 379.549 -0.040 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCN(C)CC1 ZINC000419127971 1073784636 /nfs/dbraw/zinc/78/46/36/1073784636.db2.gz UIESPYIVCZVOHA-MHORFTMASA-N 1 1 379.549 -0.040 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCN(C)CC1 ZINC000419127972 1073784544 /nfs/dbraw/zinc/78/45/44/1073784544.db2.gz UIESPYIVCZVOHA-MLHJIOFPSA-N 1 1 379.549 -0.040 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCN(C)CC1 ZINC000419127973 1073784668 /nfs/dbraw/zinc/78/46/68/1073784668.db2.gz UIESPYIVCZVOHA-XSLAGTTESA-N 1 1 379.549 -0.040 20 0 GBADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419128661 1073787934 /nfs/dbraw/zinc/78/79/34/1073787934.db2.gz BIFNJBGJABUZMV-CYBMUJFWSA-N 1 1 384.431 -0.582 20 0 GBADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419128662 1073788228 /nfs/dbraw/zinc/78/82/28/1073788228.db2.gz BIFNJBGJABUZMV-ZDUSSCGKSA-N 1 1 384.431 -0.582 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419130903 530348544 /nfs/dbraw/zinc/34/85/44/530348544.db2.gz GEIICGIFWONJQY-UHFFFAOYSA-N 1 1 398.819 -0.555 20 0 GBADMO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[nH]c2c1 ZINC000419135177 1073789445 /nfs/dbraw/zinc/78/94/45/1073789445.db2.gz KWHUGQRYRYWGHP-AWEZNQCLSA-N 1 1 398.467 -0.090 20 0 GBADMO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)nc2c1 ZINC000419135177 1073789441 /nfs/dbraw/zinc/78/94/41/1073789441.db2.gz KWHUGQRYRYWGHP-AWEZNQCLSA-N 1 1 398.467 -0.090 20 0 GBADMO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[nH]c2c1 ZINC000419135178 1073788956 /nfs/dbraw/zinc/78/89/56/1073788956.db2.gz KWHUGQRYRYWGHP-CQSZACIVSA-N 1 1 398.467 -0.090 20 0 GBADMO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nc2c1 ZINC000419135178 1073788949 /nfs/dbraw/zinc/78/89/49/1073788949.db2.gz KWHUGQRYRYWGHP-CQSZACIVSA-N 1 1 398.467 -0.090 20 0 GBADMO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000419136667 1073791310 /nfs/dbraw/zinc/79/13/10/1073791310.db2.gz CFYIKQKRMBTEOP-AWEZNQCLSA-N 1 1 394.497 -0.382 20 0 GBADMO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000419136668 1073791449 /nfs/dbraw/zinc/79/14/49/1073791449.db2.gz CFYIKQKRMBTEOP-CQSZACIVSA-N 1 1 394.497 -0.382 20 0 GBADMO COc1cc(F)cc(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000419139118 1073789315 /nfs/dbraw/zinc/78/93/15/1073789315.db2.gz RZULOKFKJLSRSO-HNNXBMFYSA-N 1 1 392.431 -0.127 20 0 GBADMO COc1cc(F)cc(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000419139122 1073790137 /nfs/dbraw/zinc/79/01/37/1073790137.db2.gz RZULOKFKJLSRSO-OAHLLOKOSA-N 1 1 392.431 -0.127 20 0 GBADMO O=C(NCCn1cnc2ccccc21)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419139302 1073787381 /nfs/dbraw/zinc/78/73/81/1073787381.db2.gz AQUPTLXLVYJYEF-HNNXBMFYSA-N 1 1 398.467 -0.425 20 0 GBADMO O=C(NCCn1cnc2ccccc21)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419139303 1073787060 /nfs/dbraw/zinc/78/70/60/1073787060.db2.gz AQUPTLXLVYJYEF-OAHLLOKOSA-N 1 1 398.467 -0.425 20 0 GBADMO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)[nH]c2c1 ZINC000419140900 1073792079 /nfs/dbraw/zinc/79/20/79/1073792079.db2.gz URKFVCMUAHYPPP-CYBMUJFWSA-N 1 1 386.456 -0.199 20 0 GBADMO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)[nH]c2c1 ZINC000419140901 1073791882 /nfs/dbraw/zinc/79/18/82/1073791882.db2.gz URKFVCMUAHYPPP-ZDUSSCGKSA-N 1 1 386.456 -0.199 20 0 GBADMO C[C@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000419146052 1073793638 /nfs/dbraw/zinc/79/36/38/1073793638.db2.gz HJQQEWHLJGXYSR-DOTOQJQBSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000419146054 1073793972 /nfs/dbraw/zinc/79/39/72/1073793972.db2.gz HJQQEWHLJGXYSR-NVXWUHKLSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000419146056 1073793735 /nfs/dbraw/zinc/79/37/35/1073793735.db2.gz HJQQEWHLJGXYSR-RDJZCZTQSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000419146058 1073794022 /nfs/dbraw/zinc/79/40/22/1073794022.db2.gz HJQQEWHLJGXYSR-WBVHZDCISA-N 1 1 388.516 -0.107 20 0 GBADMO Cc1ccsc1CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419149935 530348302 /nfs/dbraw/zinc/34/83/02/530348302.db2.gz QEYIZOFSZINAJN-UHFFFAOYSA-N 1 1 386.499 -0.881 20 0 GBADMO CN(C)c1cccc(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000419150027 1073791233 /nfs/dbraw/zinc/79/12/33/1073791233.db2.gz QMWXMCMEQLYUCK-KRWDZBQOSA-N 1 1 387.484 -0.208 20 0 GBADMO CN(C)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000419150034 1073790887 /nfs/dbraw/zinc/79/08/87/1073790887.db2.gz QMWXMCMEQLYUCK-QGZVFWFLSA-N 1 1 387.484 -0.208 20 0 GBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC(F)(F)C[NH3+])s1 ZINC000419157289 530348422 /nfs/dbraw/zinc/34/84/22/530348422.db2.gz UWKZSQPMWUXGID-UHFFFAOYSA-N 1 1 384.430 -0.839 20 0 GBADMO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000419158483 1073794515 /nfs/dbraw/zinc/79/45/15/1073794515.db2.gz XWNITQBBLOLKAH-AAEUAGOBSA-N 1 1 377.411 -0.708 20 0 GBADMO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000419158484 1073794478 /nfs/dbraw/zinc/79/44/78/1073794478.db2.gz XWNITQBBLOLKAH-DGCLKSJQSA-N 1 1 377.411 -0.708 20 0 GBADMO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000419158485 1073794556 /nfs/dbraw/zinc/79/45/56/1073794556.db2.gz XWNITQBBLOLKAH-WCQYABFASA-N 1 1 377.411 -0.708 20 0 GBADMO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000419158486 1073794884 /nfs/dbraw/zinc/79/48/84/1073794884.db2.gz XWNITQBBLOLKAH-YPMHNXCESA-N 1 1 377.411 -0.708 20 0 GBADMO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419158611 1073794730 /nfs/dbraw/zinc/79/47/30/1073794730.db2.gz FBAHOIPMJCXRPY-GDBMZVCRSA-N 1 1 395.548 -0.157 20 0 GBADMO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419158612 1073794506 /nfs/dbraw/zinc/79/45/06/1073794506.db2.gz FBAHOIPMJCXRPY-GOEBONIOSA-N 1 1 395.548 -0.157 20 0 GBADMO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419158613 1073794539 /nfs/dbraw/zinc/79/45/39/1073794539.db2.gz FBAHOIPMJCXRPY-HOCLYGCPSA-N 1 1 395.548 -0.157 20 0 GBADMO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419158614 1073794983 /nfs/dbraw/zinc/79/49/83/1073794983.db2.gz FBAHOIPMJCXRPY-ZBFHGGJFSA-N 1 1 395.548 -0.157 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419160483 1073795790 /nfs/dbraw/zinc/79/57/90/1073795790.db2.gz HNLWUFNLEGXFST-UHFFFAOYSA-N 1 1 389.403 -0.542 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000419163982 1073797471 /nfs/dbraw/zinc/79/74/71/1073797471.db2.gz MIARZYZVKRFCKG-CABCVRRESA-N 1 1 395.548 -0.062 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000419163983 1073797277 /nfs/dbraw/zinc/79/72/77/1073797277.db2.gz MIARZYZVKRFCKG-GJZGRUSLSA-N 1 1 395.548 -0.062 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C)C[NH2+]1 ZINC000419163984 1073797217 /nfs/dbraw/zinc/79/72/17/1073797217.db2.gz MIARZYZVKRFCKG-HUUCEWRRSA-N 1 1 395.548 -0.062 20 0 GBADMO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000419163985 1073797187 /nfs/dbraw/zinc/79/71/87/1073797187.db2.gz MIARZYZVKRFCKG-LSDHHAIUSA-N 1 1 395.548 -0.062 20 0 GBADMO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000419164044 1073797415 /nfs/dbraw/zinc/79/74/15/1073797415.db2.gz YAIKVLSHNBDIGS-KRWDZBQOSA-N 1 1 393.532 -0.495 20 0 GBADMO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000419164045 1073797372 /nfs/dbraw/zinc/79/73/72/1073797372.db2.gz YAIKVLSHNBDIGS-QGZVFWFLSA-N 1 1 393.532 -0.495 20 0 GBADMO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000419164233 1073797237 /nfs/dbraw/zinc/79/72/37/1073797237.db2.gz YKSDAJDEZITMLZ-INIZCTEOSA-N 1 1 376.505 -0.061 20 0 GBADMO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000419164234 1073797253 /nfs/dbraw/zinc/79/72/53/1073797253.db2.gz YKSDAJDEZITMLZ-MRXNPFEDSA-N 1 1 376.505 -0.061 20 0 GBADMO COC[C@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000419164690 1073797208 /nfs/dbraw/zinc/79/72/08/1073797208.db2.gz AOFDKKNDANEZCW-KBPBESRZSA-N 1 1 378.429 -0.494 20 0 GBADMO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000419164691 1073797649 /nfs/dbraw/zinc/79/76/49/1073797649.db2.gz AOFDKKNDANEZCW-KGLIPLIRSA-N 1 1 378.429 -0.494 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000419164692 1073797393 /nfs/dbraw/zinc/79/73/93/1073797393.db2.gz AOFDKKNDANEZCW-UONOGXRCSA-N 1 1 378.429 -0.494 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccco1 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/nfs/dbraw/zinc/80/63/01/1073806301.db2.gz ALKTVJZKSLUIOI-JKSUJKDBSA-N 1 1 382.505 -0.430 20 0 GBADMO Cc1ccc(CCNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000419182455 1073805949 /nfs/dbraw/zinc/80/59/49/1073805949.db2.gz ZLGMLJPNQADRII-UHFFFAOYSA-N 1 1 394.497 -0.900 20 0 GBADMO CCO[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419188922 1073803766 /nfs/dbraw/zinc/80/37/66/1073803766.db2.gz JTLKXUMGILAKHH-CVEARBPZSA-N 1 1 382.505 -0.023 20 0 GBADMO CCO[C@@H](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419188923 1073804491 /nfs/dbraw/zinc/80/44/91/1073804491.db2.gz JTLKXUMGILAKHH-HOTGVXAUSA-N 1 1 382.505 -0.023 20 0 GBADMO CCO[C@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419188924 1073804206 /nfs/dbraw/zinc/80/42/06/1073804206.db2.gz JTLKXUMGILAKHH-HZPDHXFCSA-N 1 1 382.505 -0.023 20 0 GBADMO CCO[C@H](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419188925 1073803611 /nfs/dbraw/zinc/80/36/11/1073803611.db2.gz JTLKXUMGILAKHH-JKSUJKDBSA-N 1 1 382.505 -0.023 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccncc1F ZINC000419191724 1073804997 /nfs/dbraw/zinc/80/49/97/1073804997.db2.gz WTJTUMNQDDGSIH-CHWSQXEVSA-N 1 1 377.420 -0.179 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccncc1F ZINC000419191725 1073804947 /nfs/dbraw/zinc/80/49/47/1073804947.db2.gz WTJTUMNQDDGSIH-OLZOCXBDSA-N 1 1 377.420 -0.179 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccncc1F ZINC000419191726 1073805242 /nfs/dbraw/zinc/80/52/42/1073805242.db2.gz WTJTUMNQDDGSIH-QWHCGFSZSA-N 1 1 377.420 -0.179 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccncc1F ZINC000419191727 1073804854 /nfs/dbraw/zinc/80/48/54/1073804854.db2.gz WTJTUMNQDDGSIH-STQMWFEESA-N 1 1 377.420 -0.179 20 0 GBADMO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(C)o1 ZINC000419191768 1073804966 /nfs/dbraw/zinc/80/49/66/1073804966.db2.gz XBURPGRHVZKTFA-CABCVRRESA-N 1 1 392.456 -0.185 20 0 GBADMO COC[C@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(C)o1 ZINC000419191769 1073805402 /nfs/dbraw/zinc/80/54/02/1073805402.db2.gz XBURPGRHVZKTFA-GJZGRUSLSA-N 1 1 392.456 -0.185 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(C)o1 ZINC000419191770 1073805270 /nfs/dbraw/zinc/80/52/70/1073805270.db2.gz XBURPGRHVZKTFA-HUUCEWRRSA-N 1 1 392.456 -0.185 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(C)o1 ZINC000419191771 1073804931 /nfs/dbraw/zinc/80/49/31/1073804931.db2.gz XBURPGRHVZKTFA-LSDHHAIUSA-N 1 1 392.456 -0.185 20 0 GBADMO CO[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(F)(F)F ZINC000419196310 1073805211 /nfs/dbraw/zinc/80/52/11/1073805211.db2.gz ZGPNJJAXYGWOTB-NEPJUHHUSA-N 1 1 394.394 -0.507 20 0 GBADMO CO[C@H](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(F)(F)F ZINC000419196311 1073805625 /nfs/dbraw/zinc/80/56/25/1073805625.db2.gz ZGPNJJAXYGWOTB-NWDGAFQWSA-N 1 1 394.394 -0.507 20 0 GBADMO CO[C@@H](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(F)(F)F ZINC000419196313 1073804845 /nfs/dbraw/zinc/80/48/45/1073804845.db2.gz ZGPNJJAXYGWOTB-RYUDHWBXSA-N 1 1 394.394 -0.507 20 0 GBADMO CO[C@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(F)(F)F ZINC000419196315 1073805368 /nfs/dbraw/zinc/80/53/68/1073805368.db2.gz ZGPNJJAXYGWOTB-VXGBXAGGSA-N 1 1 394.394 -0.507 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)N1 ZINC000419196894 1073808112 /nfs/dbraw/zinc/80/81/12/1073808112.db2.gz ADNGCBCBUFUTMK-GASCZTMLSA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)N1 ZINC000419196895 1073807189 /nfs/dbraw/zinc/80/71/89/1073807189.db2.gz ADNGCBCBUFUTMK-GJZGRUSLSA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@@H](C)N1 ZINC000419196896 1073807656 /nfs/dbraw/zinc/80/76/56/1073807656.db2.gz ADNGCBCBUFUTMK-HUUCEWRRSA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000419197422 1073805167 /nfs/dbraw/zinc/80/51/67/1073805167.db2.gz BBOGVAWAHZCZAD-DOTOQJQBSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000419197424 1073808794 /nfs/dbraw/zinc/80/87/94/1073808794.db2.gz BBOGVAWAHZCZAD-NVXWUHKLSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@@H]1C[NH3+] ZINC000419197426 1073808908 /nfs/dbraw/zinc/80/89/08/1073808908.db2.gz BBOGVAWAHZCZAD-RDJZCZTQSA-N 1 1 388.516 -0.107 20 0 GBADMO C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@@H]1C[NH3+] ZINC000419197428 1073809195 /nfs/dbraw/zinc/80/91/95/1073809195.db2.gz BBOGVAWAHZCZAD-WBVHZDCISA-N 1 1 388.516 -0.107 20 0 GBADMO O=C(NCCN1CC[NH2+]CC1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000419198163 1073808172 /nfs/dbraw/zinc/80/81/72/1073808172.db2.gz YPFSBQZBKQIVGH-UHFFFAOYSA-N 1 1 391.491 -0.072 20 0 GBADMO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419199904 1073809237 /nfs/dbraw/zinc/80/92/37/1073809237.db2.gz DDBGJNFUYPZUMT-INIZCTEOSA-N 1 1 376.505 -0.061 20 0 GBADMO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419199908 1073808928 /nfs/dbraw/zinc/80/89/28/1073808928.db2.gz DDBGJNFUYPZUMT-MRXNPFEDSA-N 1 1 376.505 -0.061 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)s1 ZINC000419200208 530348930 /nfs/dbraw/zinc/34/89/30/530348930.db2.gz WXTITWVFLNXPAC-UHFFFAOYSA-N 1 1 386.499 -0.881 20 0 GBADMO O=C1CCc2cc(OC[C@@H](O)C[N@@H+](CCO)CCN3CCOCC3)ccc2N1 ZINC000419200997 1072295458 /nfs/dbraw/zinc/29/54/58/1072295458.db2.gz BKPZOXRADCYMCW-KRWDZBQOSA-N 1 1 393.484 -0.063 20 0 GBADMO O=C1CCc2cc(OC[C@H](O)C[N@@H+](CCO)CCN3CCOCC3)ccc2N1 ZINC000419200998 1072295208 /nfs/dbraw/zinc/29/52/08/1072295208.db2.gz BKPZOXRADCYMCW-QGZVFWFLSA-N 1 1 393.484 -0.063 20 0 GBADMO C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419201006 1073810501 /nfs/dbraw/zinc/81/05/01/1073810501.db2.gz BLHMXEVFMHODRM-NEPJUHHUSA-N 1 1 394.394 -0.507 20 0 GBADMO C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419201008 1073809572 /nfs/dbraw/zinc/80/95/72/1073809572.db2.gz BLHMXEVFMHODRM-NWDGAFQWSA-N 1 1 394.394 -0.507 20 0 GBADMO C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419201010 1073810489 /nfs/dbraw/zinc/81/04/89/1073810489.db2.gz BLHMXEVFMHODRM-RYUDHWBXSA-N 1 1 394.394 -0.507 20 0 GBADMO C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419201012 1073809765 /nfs/dbraw/zinc/80/97/65/1073809765.db2.gz BLHMXEVFMHODRM-VXGBXAGGSA-N 1 1 394.394 -0.507 20 0 GBADMO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCNC(C)(C)C2)c1 ZINC000419203000 1073811045 /nfs/dbraw/zinc/81/10/45/1073811045.db2.gz HDIYXWWPAXEDMI-UHFFFAOYSA-N 1 1 389.500 -0.195 20 0 GBADMO CCN(C)C(=O)CNC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000419203954 1073812804 /nfs/dbraw/zinc/81/28/04/1073812804.db2.gz ONRCQYYOBPXZJT-UHFFFAOYSA-N 1 1 389.500 -0.309 20 0 GBADMO CCCC[C@H](CCC)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419206783 1073819120 /nfs/dbraw/zinc/81/91/20/1073819120.db2.gz SGMKFKMGHBRDGE-AWEZNQCLSA-N 1 1 388.534 -0.093 20 0 GBADMO CCCC[C@@H](CCC)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419206784 1073819364 /nfs/dbraw/zinc/81/93/64/1073819364.db2.gz SGMKFKMGHBRDGE-CQSZACIVSA-N 1 1 388.534 -0.093 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000419210187 1073831598 /nfs/dbraw/zinc/83/15/98/1073831598.db2.gz UPEBZMZCYZHGAD-CABCVRRESA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000419210188 1073832056 /nfs/dbraw/zinc/83/20/56/1073832056.db2.gz UPEBZMZCYZHGAD-GJZGRUSLSA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)CN1 ZINC000419210189 1073832616 /nfs/dbraw/zinc/83/26/16/1073832616.db2.gz UPEBZMZCYZHGAD-HUUCEWRRSA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419210190 1073832523 /nfs/dbraw/zinc/83/25/23/1073832523.db2.gz UPEBZMZCYZHGAD-LSDHHAIUSA-N 1 1 389.500 -0.197 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCN1 ZINC000419211355 1073832290 /nfs/dbraw/zinc/83/22/90/1073832290.db2.gz XEFPMYLZEBITGF-AWEZNQCLSA-N 1 1 375.473 -0.586 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCN1 ZINC000419211356 1073832695 /nfs/dbraw/zinc/83/26/95/1073832695.db2.gz XEFPMYLZEBITGF-CQSZACIVSA-N 1 1 375.473 -0.586 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000419212108 1073833439 /nfs/dbraw/zinc/83/34/39/1073833439.db2.gz UGHUNAXGDMDBGS-HZSPNIEDSA-N 1 1 380.395 -0.030 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000419212109 1073833689 /nfs/dbraw/zinc/83/36/89/1073833689.db2.gz UGHUNAXGDMDBGS-MCIONIFRSA-N 1 1 380.395 -0.030 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000419212110 1073833540 /nfs/dbraw/zinc/83/35/40/1073833540.db2.gz UGHUNAXGDMDBGS-MGPQQGTHSA-N 1 1 380.395 -0.030 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000419212116 1073833848 /nfs/dbraw/zinc/83/38/48/1073833848.db2.gz UGHUNAXGDMDBGS-RDBSUJKOSA-N 1 1 380.395 -0.030 20 0 GBADMO C[C@H]1CNCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419212125 1073833937 /nfs/dbraw/zinc/83/39/37/1073833937.db2.gz ZCYCBXSWVFGQBD-AWEZNQCLSA-N 1 1 375.473 -0.586 20 0 GBADMO C[C@@H]1CNCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419212126 1073833589 /nfs/dbraw/zinc/83/35/89/1073833589.db2.gz ZCYCBXSWVFGQBD-CQSZACIVSA-N 1 1 375.473 -0.586 20 0 GBADMO C[C@H]1CN(Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000419212406 1073834329 /nfs/dbraw/zinc/83/43/29/1073834329.db2.gz JZPQVONPBLCCAC-HOTGVXAUSA-N 1 1 392.500 -0.308 20 0 GBADMO C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@@H](C)O1 ZINC000419212407 1073834784 /nfs/dbraw/zinc/83/47/84/1073834784.db2.gz JZPQVONPBLCCAC-HZPDHXFCSA-N 1 1 392.500 -0.308 20 0 GBADMO C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000419212408 1073834678 /nfs/dbraw/zinc/83/46/78/1073834678.db2.gz JZPQVONPBLCCAC-IYBDPMFKSA-N 1 1 392.500 -0.308 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419216604 1073849734 /nfs/dbraw/zinc/84/97/34/1073849734.db2.gz BUWCBLSBFVVZED-AWEZNQCLSA-N 1 1 391.438 -0.293 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419216605 1073850252 /nfs/dbraw/zinc/85/02/52/1073850252.db2.gz BUWCBLSBFVVZED-CQSZACIVSA-N 1 1 391.438 -0.293 20 0 GBADMO COc1cccc(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000419217458 1073852887 /nfs/dbraw/zinc/85/28/87/1073852887.db2.gz PMBFKLFTOGTWPA-AWEZNQCLSA-N 1 1 375.429 -0.871 20 0 GBADMO COc1cccc(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000419217459 1073852222 /nfs/dbraw/zinc/85/22/22/1073852222.db2.gz PMBFKLFTOGTWPA-CQSZACIVSA-N 1 1 375.429 -0.871 20 0 GBADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@@H]1C ZINC000419217967 1073855635 /nfs/dbraw/zinc/85/56/35/1073855635.db2.gz FDZSCQXWNAWHKV-HZSPNIEDSA-N 1 1 386.518 -0.627 20 0 GBADMO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@H]1C ZINC000419217968 1073855382 /nfs/dbraw/zinc/85/53/82/1073855382.db2.gz FDZSCQXWNAWHKV-MCIONIFRSA-N 1 1 386.518 -0.627 20 0 GBADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@H]1C ZINC000419217969 1073855985 /nfs/dbraw/zinc/85/59/85/1073855985.db2.gz FDZSCQXWNAWHKV-MGPQQGTHSA-N 1 1 386.518 -0.627 20 0 GBADMO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@@H]1C ZINC000419217970 1073856017 /nfs/dbraw/zinc/85/60/17/1073856017.db2.gz FDZSCQXWNAWHKV-RDBSUJKOSA-N 1 1 386.518 -0.627 20 0 GBADMO CCSCC[C@@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419221574 530348728 /nfs/dbraw/zinc/34/87/28/530348728.db2.gz CHRVQJKZIACWKT-GFCCVEGCSA-N 1 1 392.547 -0.920 20 0 GBADMO CCSCC[C@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419221575 530348908 /nfs/dbraw/zinc/34/89/08/530348908.db2.gz CHRVQJKZIACWKT-LBPRGKRZSA-N 1 1 392.547 -0.920 20 0 GBADMO COC1CCC(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419225605 1073865136 /nfs/dbraw/zinc/86/51/36/1073865136.db2.gz PJKNQTFECJNYRW-HWOWSKLDSA-N 1 1 380.489 -0.269 20 0 GBADMO COC1CCC(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419225606 1073864574 /nfs/dbraw/zinc/86/45/74/1073864574.db2.gz PJKNQTFECJNYRW-PCKAHOCUSA-N 1 1 380.489 -0.269 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419227118 1073868271 /nfs/dbraw/zinc/86/82/71/1073868271.db2.gz SDEUWXHVPCBFKZ-INIZCTEOSA-N 1 1 379.505 -0.399 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419227119 1073868207 /nfs/dbraw/zinc/86/82/07/1073868207.db2.gz SDEUWXHVPCBFKZ-MRXNPFEDSA-N 1 1 379.505 -0.399 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228946 1073869074 /nfs/dbraw/zinc/86/90/74/1073869074.db2.gz WFAGAAJAFJASMM-KRWDZBQOSA-N 1 1 391.516 -0.575 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228947 1073868880 /nfs/dbraw/zinc/86/88/80/1073868880.db2.gz WFAGAAJAFJASMM-QGZVFWFLSA-N 1 1 391.516 -0.575 20 0 GBADMO CC1=CCN(CCNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000419229456 1073870771 /nfs/dbraw/zinc/87/07/71/1073870771.db2.gz XDSSNNZUJFBJKX-SJORKVTESA-N 1 1 376.501 -0.018 20 0 GBADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419231352 1073872016 /nfs/dbraw/zinc/87/20/16/1073872016.db2.gz ZOXWMWSKVIHMSV-INIZCTEOSA-N 1 1 377.489 -0.823 20 0 GBADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419231353 1073871549 /nfs/dbraw/zinc/87/15/49/1073871549.db2.gz ZOXWMWSKVIHMSV-MRXNPFEDSA-N 1 1 377.489 -0.823 20 0 GBADMO O=C(N[C@H]1COc2ccccc2C1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419240263 1073877754 /nfs/dbraw/zinc/87/77/54/1073877754.db2.gz RCOUBSGUVFXPMB-CVEARBPZSA-N 1 1 386.452 -0.471 20 0 GBADMO O=C(N[C@@H]1COc2ccccc2C1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419240264 1073877305 /nfs/dbraw/zinc/87/73/05/1073877305.db2.gz RCOUBSGUVFXPMB-HOTGVXAUSA-N 1 1 386.452 -0.471 20 0 GBADMO O=C(N[C@H]1COc2ccccc2C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419240265 1073877783 /nfs/dbraw/zinc/87/77/83/1073877783.db2.gz RCOUBSGUVFXPMB-HZPDHXFCSA-N 1 1 386.452 -0.471 20 0 GBADMO O=C(N[C@@H]1COc2ccccc2C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419240266 1073877365 /nfs/dbraw/zinc/87/73/65/1073877365.db2.gz RCOUBSGUVFXPMB-JKSUJKDBSA-N 1 1 386.452 -0.471 20 0 GBADMO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CCC1 ZINC000419246381 1073880583 /nfs/dbraw/zinc/88/05/83/1073880583.db2.gz WGDZJMUWODPBCA-HNNXBMFYSA-N 1 1 379.505 -0.743 20 0 GBADMO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CCC1 ZINC000419246383 1073880889 /nfs/dbraw/zinc/88/08/89/1073880889.db2.gz WGDZJMUWODPBCA-OAHLLOKOSA-N 1 1 379.505 -0.743 20 0 GBADMO O=C(NCc1ccn2ccnc2c1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419247581 1073881405 /nfs/dbraw/zinc/88/14/05/1073881405.db2.gz XIUYIEKLEKCVTL-HNNXBMFYSA-N 1 1 384.440 -0.627 20 0 GBADMO O=C(NCc1ccn2ccnc2c1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419247582 1073880839 /nfs/dbraw/zinc/88/08/39/1073880839.db2.gz XIUYIEKLEKCVTL-OAHLLOKOSA-N 1 1 384.440 -0.627 20 0 GBADMO COCCC1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000419247778 1073882636 /nfs/dbraw/zinc/88/26/36/1073882636.db2.gz CFWAPDQAYRGMBN-HNNXBMFYSA-N 1 1 380.489 -0.268 20 0 GBADMO COCCC1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000419247779 1073883247 /nfs/dbraw/zinc/88/32/47/1073883247.db2.gz CFWAPDQAYRGMBN-OAHLLOKOSA-N 1 1 380.489 -0.268 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419258617 1073888428 /nfs/dbraw/zinc/88/84/28/1073888428.db2.gz JUJIDGMUPYGDBB-UHFFFAOYSA-N 1 1 383.399 -0.838 20 0 GBADMO CC(C)CC(C)(C)CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419261796 1073890169 /nfs/dbraw/zinc/89/01/69/1073890169.db2.gz URDVYYYQCNRERI-UHFFFAOYSA-N 1 1 388.534 -0.379 20 0 GBADMO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419267416 1073890862 /nfs/dbraw/zinc/89/08/62/1073890862.db2.gz IYADMBRCWFDHAL-INMHGKMJSA-N 1 1 380.489 -0.414 20 0 GBADMO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419267424 1073891088 /nfs/dbraw/zinc/89/10/88/1073891088.db2.gz IYADMBRCWFDHAL-UXLLHSPISA-N 1 1 380.489 -0.414 20 0 GBADMO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419267425 1073890962 /nfs/dbraw/zinc/89/09/62/1073890962.db2.gz IYADMBRCWFDHAL-VYDXJSESSA-N 1 1 380.489 -0.414 20 0 GBADMO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419267426 1073891624 /nfs/dbraw/zinc/89/16/24/1073891624.db2.gz IYADMBRCWFDHAL-ZOBUZTSGSA-N 1 1 380.489 -0.414 20 0 GBADMO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419268943 1073892588 /nfs/dbraw/zinc/89/25/88/1073892588.db2.gz LGWRBOXESJABAZ-BQFCYCMXSA-N 1 1 394.516 -0.023 20 0 GBADMO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419268945 1073892143 /nfs/dbraw/zinc/89/21/43/1073892143.db2.gz LGWRBOXESJABAZ-JZXOWHBKSA-N 1 1 394.516 -0.023 20 0 GBADMO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419268947 1073892524 /nfs/dbraw/zinc/89/25/24/1073892524.db2.gz LGWRBOXESJABAZ-NUJGCVRESA-N 1 1 394.516 -0.023 20 0 GBADMO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419268950 1073892122 /nfs/dbraw/zinc/89/21/22/1073892122.db2.gz LGWRBOXESJABAZ-RYRKJORJSA-N 1 1 394.516 -0.023 20 0 GBADMO COc1ncccc1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419270238 1073892394 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390.440 -0.560 20 0 GBADMO CCc1nc(CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000419284503 1073894191 /nfs/dbraw/zinc/89/41/91/1073894191.db2.gz LAMKLMLBOOBHTQ-AWEZNQCLSA-N 1 1 393.513 -0.213 20 0 GBADMO CCc1nc(CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000419284504 1073894680 /nfs/dbraw/zinc/89/46/80/1073894680.db2.gz LAMKLMLBOOBHTQ-CQSZACIVSA-N 1 1 393.513 -0.213 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c(C)c1 ZINC000419285440 1073895629 /nfs/dbraw/zinc/89/56/29/1073895629.db2.gz USNHIGKWZBEXHD-UHFFFAOYSA-N 1 1 394.497 -0.635 20 0 GBADMO C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419286594 1073895849 /nfs/dbraw/zinc/89/58/49/1073895849.db2.gz QWBGHMKNEUFOJV-AWEZNQCLSA-N 1 1 395.479 -0.466 20 0 GBADMO C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419286599 1073895570 /nfs/dbraw/zinc/89/55/70/1073895570.db2.gz QWBGHMKNEUFOJV-CQSZACIVSA-N 1 1 395.479 -0.466 20 0 GBADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000419288254 1073895882 /nfs/dbraw/zinc/89/58/82/1073895882.db2.gz RRGGQVQEEOSYRJ-INIZCTEOSA-N 1 1 381.521 -0.495 20 0 GBADMO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000419288254 1073895872 /nfs/dbraw/zinc/89/58/72/1073895872.db2.gz RRGGQVQEEOSYRJ-INIZCTEOSA-N 1 1 381.521 -0.495 20 0 GBADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000419288255 1073896009 /nfs/dbraw/zinc/89/60/09/1073896009.db2.gz RRGGQVQEEOSYRJ-MRXNPFEDSA-N 1 1 381.521 -0.495 20 0 GBADMO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000419288255 1073895995 /nfs/dbraw/zinc/89/59/95/1073895995.db2.gz RRGGQVQEEOSYRJ-MRXNPFEDSA-N 1 1 381.521 -0.495 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 ZINC000419298919 1073898257 /nfs/dbraw/zinc/89/82/57/1073898257.db2.gz JAKWNDDRLLHCAE-DLBZAZTESA-N 1 1 388.468 -0.087 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccccc1 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GBADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CN1C1CC1 ZINC000419308482 1073902067 /nfs/dbraw/zinc/90/20/67/1073902067.db2.gz AURLYXWDONTWCJ-IJEWVQPXSA-N 1 1 379.505 -0.426 20 0 GBADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CN1C1CC1 ZINC000419308483 1073902190 /nfs/dbraw/zinc/90/21/90/1073902190.db2.gz AURLYXWDONTWCJ-YCPHGPKFSA-N 1 1 379.505 -0.426 20 0 GBADMO O=C(NCCCc1ccc(O)cc1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419309070 1073900901 /nfs/dbraw/zinc/90/09/01/1073900901.db2.gz GEUNXNPMRZNFCH-INIZCTEOSA-N 1 1 388.468 -0.136 20 0 GBADMO O=C(NCCCc1ccc(O)cc1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419309072 1073900942 /nfs/dbraw/zinc/90/09/42/1073900942.db2.gz GEUNXNPMRZNFCH-MRXNPFEDSA-N 1 1 388.468 -0.136 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310685 1073901472 /nfs/dbraw/zinc/90/14/72/1073901472.db2.gz ATDOZOLFMDAMAX-BNOWGMLFSA-N 1 1 391.438 -0.462 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310692 1073900846 /nfs/dbraw/zinc/90/08/46/1073900846.db2.gz ATDOZOLFMDAMAX-KWCYVHTRSA-N 1 1 391.438 -0.462 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310695 1073902176 /nfs/dbraw/zinc/90/21/76/1073902176.db2.gz ATDOZOLFMDAMAX-MRVWCRGKSA-N 1 1 391.438 -0.462 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310697 1073901872 /nfs/dbraw/zinc/90/18/72/1073901872.db2.gz ATDOZOLFMDAMAX-XBFCOCLRSA-N 1 1 391.438 -0.462 20 0 GBADMO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C2=O)cc1 ZINC000419311626 1073902244 /nfs/dbraw/zinc/90/22/44/1073902244.db2.gz YJKYLIHQCRAAKY-CYBMUJFWSA-N 1 1 384.383 -0.378 20 0 GBADMO COc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C2=O)cc1 ZINC000419311630 1073902051 /nfs/dbraw/zinc/90/20/51/1073902051.db2.gz YJKYLIHQCRAAKY-ZDUSSCGKSA-N 1 1 384.383 -0.378 20 0 GBADMO O=C(N[C@H]1CCC12CCCC2)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419311868 1073902906 /nfs/dbraw/zinc/90/29/06/1073902906.db2.gz JDXDZJKQFHWPLE-AWEZNQCLSA-N 1 1 384.502 -0.729 20 0 GBADMO O=C(N[C@@H]1CCC12CCCC2)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419311874 1073903344 /nfs/dbraw/zinc/90/33/44/1073903344.db2.gz JDXDZJKQFHWPLE-CQSZACIVSA-N 1 1 384.502 -0.729 20 0 GBADMO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCC(F)(F)C[NH3+])C2)nc1 ZINC000419315630 1073903164 /nfs/dbraw/zinc/90/31/64/1073903164.db2.gz ORQLLLCODZZTTL-UHFFFAOYSA-N 1 1 385.371 -0.727 20 0 GBADMO CCCC1(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419323246 1073907158 /nfs/dbraw/zinc/90/71/58/1073907158.db2.gz IMROUONLUAHFQL-UHFFFAOYSA-N 1 1 386.518 -0.481 20 0 GBADMO CCc1noc(CC)c1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419326151 1073909155 /nfs/dbraw/zinc/90/91/55/1073909155.db2.gz XXBKUYXXVQMEJH-CYBMUJFWSA-N 1 1 391.472 -0.162 20 0 GBADMO CCc1noc(CC)c1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419326152 1073908235 /nfs/dbraw/zinc/90/82/35/1073908235.db2.gz XXBKUYXXVQMEJH-ZDUSSCGKSA-N 1 1 391.472 -0.162 20 0 GBADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000419326584 1073908624 /nfs/dbraw/zinc/90/86/24/1073908624.db2.gz YLFPEZATFHLSGI-BZPMIXESSA-N 1 1 391.438 -0.320 20 0 GBADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000419326585 1073908326 /nfs/dbraw/zinc/90/83/26/1073908326.db2.gz YLFPEZATFHLSGI-DYEKYZERSA-N 1 1 391.438 -0.320 20 0 GBADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000419326586 1073908259 /nfs/dbraw/zinc/90/82/59/1073908259.db2.gz YLFPEZATFHLSGI-MBNYWOFBSA-N 1 1 391.438 -0.320 20 0 GBADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000419326587 1073908308 /nfs/dbraw/zinc/90/83/08/1073908308.db2.gz YLFPEZATFHLSGI-YRGRVCCFSA-N 1 1 391.438 -0.320 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419327799 1073908059 /nfs/dbraw/zinc/90/80/59/1073908059.db2.gz DQQUJWITOCGQQI-BMFZPTHFSA-N 1 1 379.505 -0.569 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419327800 1073908099 /nfs/dbraw/zinc/90/80/99/1073908099.db2.gz DQQUJWITOCGQQI-FVQBIDKESA-N 1 1 379.505 -0.569 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419327801 1073907890 /nfs/dbraw/zinc/90/78/90/1073907890.db2.gz DQQUJWITOCGQQI-KBMXLJTQSA-N 1 1 379.505 -0.569 20 0 GBADMO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419327802 1073908341 /nfs/dbraw/zinc/90/83/41/1073908341.db2.gz DQQUJWITOCGQQI-VNQPRFMTSA-N 1 1 379.505 -0.569 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(=O)n(C)c1=O ZINC000419328113 1073909568 /nfs/dbraw/zinc/90/95/68/1073909568.db2.gz DONAKHCXCQMKGH-KBPBESRZSA-N 1 1 395.504 -0.645 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(=O)n(C)c1=O ZINC000419328113 1073909553 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UDZRSVGNXZMQDX-SJORKVTESA-N 1 1 391.516 -0.458 20 0 GBADMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000419738012 1072198607 /nfs/dbraw/zinc/19/86/07/1072198607.db2.gz UNERAEMDRSBZAU-GDBMZVCRSA-N 1 1 379.505 -0.567 20 0 GBADMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000419738013 1072198549 /nfs/dbraw/zinc/19/85/49/1072198549.db2.gz UNERAEMDRSBZAU-GOEBONIOSA-N 1 1 379.505 -0.567 20 0 GBADMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000419738015 1072198217 /nfs/dbraw/zinc/19/82/17/1072198217.db2.gz UNERAEMDRSBZAU-HOCLYGCPSA-N 1 1 379.505 -0.567 20 0 GBADMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000419738018 1072198650 /nfs/dbraw/zinc/19/86/50/1072198650.db2.gz UNERAEMDRSBZAU-ZBFHGGJFSA-N 1 1 379.505 -0.567 20 0 GBADMO COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419738656 1072198338 /nfs/dbraw/zinc/19/83/38/1072198338.db2.gz ZDYDEHZBATUSJR-IXDOHACOSA-N 1 1 378.448 -0.084 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419738656 1072198335 /nfs/dbraw/zinc/19/83/35/1072198335.db2.gz ZDYDEHZBATUSJR-IXDOHACOSA-N 1 1 378.448 -0.084 20 0 GBADMO COCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419738658 1072198194 /nfs/dbraw/zinc/19/81/94/1072198194.db2.gz ZDYDEHZBATUSJR-YESZJQIVSA-N 1 1 378.448 -0.084 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419738658 1072198182 /nfs/dbraw/zinc/19/81/82/1072198182.db2.gz ZDYDEHZBATUSJR-YESZJQIVSA-N 1 1 378.448 -0.084 20 0 GBADMO CCCC[C@H](CC)CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419739812 1072195754 /nfs/dbraw/zinc/19/57/54/1072195754.db2.gz WMRHLHOYXWNJGY-AWEZNQCLSA-N 1 1 388.534 -0.235 20 0 GBADMO CCCC[C@@H](CC)CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419739813 1072195848 /nfs/dbraw/zinc/19/58/48/1072195848.db2.gz WMRHLHOYXWNJGY-CQSZACIVSA-N 1 1 388.534 -0.235 20 0 GBADMO 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CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422588507 1072464820 /nfs/dbraw/zinc/46/48/20/1072464820.db2.gz LJASJEFJFUNQCG-AWEZNQCLSA-N 1 1 389.491 -0.074 20 0 GBADMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422588507 1072464807 /nfs/dbraw/zinc/46/48/07/1072464807.db2.gz LJASJEFJFUNQCG-AWEZNQCLSA-N 1 1 389.491 -0.074 20 0 GBADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422588508 1072464716 /nfs/dbraw/zinc/46/47/16/1072464716.db2.gz LJASJEFJFUNQCG-CQSZACIVSA-N 1 1 389.491 -0.074 20 0 GBADMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422588508 1072464714 /nfs/dbraw/zinc/46/47/14/1072464714.db2.gz LJASJEFJFUNQCG-CQSZACIVSA-N 1 1 389.491 -0.074 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)CC[N@H+]1CC(C)(C)O ZINC000422588870 1072464624 /nfs/dbraw/zinc/46/46/24/1072464624.db2.gz LWRJCYNMGAAULW-CHWSQXEVSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)CC[N@@H+]1CC(C)(C)O ZINC000422588870 1072464621 /nfs/dbraw/zinc/46/46/21/1072464621.db2.gz LWRJCYNMGAAULW-CHWSQXEVSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC[N@H+]1CC(C)(C)O ZINC000422588882 1072464695 /nfs/dbraw/zinc/46/46/95/1072464695.db2.gz LWRJCYNMGAAULW-OLZOCXBDSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC[N@@H+]1CC(C)(C)O ZINC000422588882 1072464691 /nfs/dbraw/zinc/46/46/91/1072464691.db2.gz LWRJCYNMGAAULW-OLZOCXBDSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)CC[N@H+]1CC(C)(C)O ZINC000422588884 1072465015 /nfs/dbraw/zinc/46/50/15/1072465015.db2.gz LWRJCYNMGAAULW-QWHCGFSZSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)CC[N@@H+]1CC(C)(C)O ZINC000422588884 1072465013 /nfs/dbraw/zinc/46/50/13/1072465013.db2.gz LWRJCYNMGAAULW-QWHCGFSZSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC[N@H+]1CC(C)(C)O ZINC000422588886 1072464488 /nfs/dbraw/zinc/46/44/88/1072464488.db2.gz LWRJCYNMGAAULW-STQMWFEESA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC[N@@H+]1CC(C)(C)O ZINC000422588886 1072464484 /nfs/dbraw/zinc/46/44/84/1072464484.db2.gz LWRJCYNMGAAULW-STQMWFEESA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422598926 1072466644 /nfs/dbraw/zinc/46/66/44/1072466644.db2.gz XLGKSAOKKFPRFW-CHWSQXEVSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422598926 1072466638 /nfs/dbraw/zinc/46/66/38/1072466638.db2.gz XLGKSAOKKFPRFW-CHWSQXEVSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422598927 1072466739 /nfs/dbraw/zinc/46/67/39/1072466739.db2.gz XLGKSAOKKFPRFW-OLZOCXBDSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422598927 1072466730 /nfs/dbraw/zinc/46/67/30/1072466730.db2.gz XLGKSAOKKFPRFW-OLZOCXBDSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422598928 1072466541 /nfs/dbraw/zinc/46/65/41/1072466541.db2.gz XLGKSAOKKFPRFW-QWHCGFSZSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422598928 1072466539 /nfs/dbraw/zinc/46/65/39/1072466539.db2.gz XLGKSAOKKFPRFW-QWHCGFSZSA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422598929 1072466482 /nfs/dbraw/zinc/46/64/82/1072466482.db2.gz XLGKSAOKKFPRFW-STQMWFEESA-N 1 1 376.448 -0.254 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422598929 1072466477 /nfs/dbraw/zinc/46/64/77/1072466477.db2.gz XLGKSAOKKFPRFW-STQMWFEESA-N 1 1 376.448 -0.254 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000422601376 1072466517 /nfs/dbraw/zinc/46/65/17/1072466517.db2.gz BZFNOZIAVHYWKD-CABCVRRESA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000422601376 1072466514 /nfs/dbraw/zinc/46/65/14/1072466514.db2.gz BZFNOZIAVHYWKD-CABCVRRESA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000422601379 1072466690 /nfs/dbraw/zinc/46/66/90/1072466690.db2.gz BZFNOZIAVHYWKD-GJZGRUSLSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000422601379 1072466685 /nfs/dbraw/zinc/46/66/85/1072466685.db2.gz BZFNOZIAVHYWKD-GJZGRUSLSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000422601380 1072466666 /nfs/dbraw/zinc/46/66/66/1072466666.db2.gz BZFNOZIAVHYWKD-HUUCEWRRSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000422601380 1072466663 /nfs/dbraw/zinc/46/66/63/1072466663.db2.gz BZFNOZIAVHYWKD-HUUCEWRRSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000422601381 1072466590 /nfs/dbraw/zinc/46/65/90/1072466590.db2.gz BZFNOZIAVHYWKD-LSDHHAIUSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000422601381 1072466588 /nfs/dbraw/zinc/46/65/88/1072466588.db2.gz BZFNOZIAVHYWKD-LSDHHAIUSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000422602977 1072466449 /nfs/dbraw/zinc/46/64/49/1072466449.db2.gz IWFOCABWUAUYBL-CABCVRRESA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000422602977 1072466448 /nfs/dbraw/zinc/46/64/48/1072466448.db2.gz IWFOCABWUAUYBL-CABCVRRESA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000422602978 1072466462 /nfs/dbraw/zinc/46/64/62/1072466462.db2.gz IWFOCABWUAUYBL-GJZGRUSLSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000422602978 1072466461 /nfs/dbraw/zinc/46/64/61/1072466461.db2.gz IWFOCABWUAUYBL-GJZGRUSLSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000422602979 1072466583 /nfs/dbraw/zinc/46/65/83/1072466583.db2.gz IWFOCABWUAUYBL-HUUCEWRRSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000422602979 1072466580 /nfs/dbraw/zinc/46/65/80/1072466580.db2.gz IWFOCABWUAUYBL-HUUCEWRRSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000422602980 1072466721 /nfs/dbraw/zinc/46/67/21/1072466721.db2.gz IWFOCABWUAUYBL-LSDHHAIUSA-N 1 1 382.505 -0.335 20 0 GBADMO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000422602980 1072466716 /nfs/dbraw/zinc/46/67/16/1072466716.db2.gz IWFOCABWUAUYBL-LSDHHAIUSA-N 1 1 382.505 -0.335 20 0 GBADMO CC[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000422606087 1072467446 /nfs/dbraw/zinc/46/74/46/1072467446.db2.gz HVLFNCRZILQYKG-ARFHVFGLSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000422606088 1072467205 /nfs/dbraw/zinc/46/72/05/1072467205.db2.gz HVLFNCRZILQYKG-BZUAXINKSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000422606089 1072467335 /nfs/dbraw/zinc/46/73/35/1072467335.db2.gz HVLFNCRZILQYKG-OAGGEKHMSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000422606090 1072467243 /nfs/dbraw/zinc/46/72/43/1072467243.db2.gz HVLFNCRZILQYKG-XHSDSOJGSA-N 1 1 380.489 -0.175 20 0 GBADMO 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COC1([C@H](C)NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCOCC1 ZINC000422633937 1072469100 /nfs/dbraw/zinc/46/91/00/1072469100.db2.gz KBQAGYATKXNHRW-CABCVRRESA-N 1 1 385.505 -0.010 20 0 GBADMO COC1([C@H](C)NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCOCC1 ZINC000422633938 1072468855 /nfs/dbraw/zinc/46/88/55/1072468855.db2.gz KBQAGYATKXNHRW-GJZGRUSLSA-N 1 1 385.505 -0.010 20 0 GBADMO COC1([C@H](C)NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCOCC1 ZINC000422633938 1072468851 /nfs/dbraw/zinc/46/88/51/1072468851.db2.gz KBQAGYATKXNHRW-GJZGRUSLSA-N 1 1 385.505 -0.010 20 0 GBADMO COC1([C@@H](C)NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCOCC1 ZINC000422633939 1072469341 /nfs/dbraw/zinc/46/93/41/1072469341.db2.gz KBQAGYATKXNHRW-HUUCEWRRSA-N 1 1 385.505 -0.010 20 0 GBADMO COC1([C@@H](C)NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCOCC1 ZINC000422633939 1072469337 /nfs/dbraw/zinc/46/93/37/1072469337.db2.gz KBQAGYATKXNHRW-HUUCEWRRSA-N 1 1 385.505 -0.010 20 0 GBADMO 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ZINC000422980261 1072484272 /nfs/dbraw/zinc/48/42/72/1072484272.db2.gz PCCAICBOQCORPX-SFHVURJKSA-N 1 1 399.495 -0.242 20 0 GBADMO CN(CCOc1ccccc1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000422994421 1072483772 /nfs/dbraw/zinc/48/37/72/1072483772.db2.gz VMKPAKZAIDAYSM-INIZCTEOSA-N 1 1 388.468 -0.053 20 0 GBADMO CN(CCOc1ccccc1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000422994422 1072483597 /nfs/dbraw/zinc/48/35/97/1072483597.db2.gz VMKPAKZAIDAYSM-MRXNPFEDSA-N 1 1 388.468 -0.053 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423011413 1072485836 /nfs/dbraw/zinc/48/58/36/1072485836.db2.gz ZNWPVNXGQHUZQP-CABCVRRESA-N 1 1 394.472 -0.789 20 0 GBADMO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423011414 1072485826 /nfs/dbraw/zinc/48/58/26/1072485826.db2.gz ZNWPVNXGQHUZQP-GJZGRUSLSA-N 1 1 394.472 -0.789 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423011415 1072485945 /nfs/dbraw/zinc/48/59/45/1072485945.db2.gz ZNWPVNXGQHUZQP-HUUCEWRRSA-N 1 1 394.472 -0.789 20 0 GBADMO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423011416 1072485789 /nfs/dbraw/zinc/48/57/89/1072485789.db2.gz ZNWPVNXGQHUZQP-LSDHHAIUSA-N 1 1 394.472 -0.789 20 0 GBADMO COCCCN(C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000423017697 1072487034 /nfs/dbraw/zinc/48/70/34/1072487034.db2.gz PKGRMVQEDIWLCZ-QLFBSQMISA-N 1 1 387.502 -0.609 20 0 GBADMO COCCCN(C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000423017698 1072487080 /nfs/dbraw/zinc/48/70/80/1072487080.db2.gz PKGRMVQEDIWLCZ-ZNMIVQPWSA-N 1 1 387.502 -0.609 20 0 GBADMO O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N(Cc1cccnc1)C1CC1 ZINC000423024614 1072487378 /nfs/dbraw/zinc/48/73/78/1072487378.db2.gz JRSWKPANRUMMAD-KRWDZBQOSA-N 1 1 385.468 -0.005 20 0 GBADMO O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N(Cc1cccnc1)C1CC1 ZINC000423024615 1072487791 /nfs/dbraw/zinc/48/77/91/1072487791.db2.gz JRSWKPANRUMMAD-QGZVFWFLSA-N 1 1 385.468 -0.005 20 0 GBADMO O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N(Cc1ccccn1)C1CC1 ZINC000423024642 1072487708 /nfs/dbraw/zinc/48/77/08/1072487708.db2.gz JUXQIHGRWGTKGD-KRWDZBQOSA-N 1 1 385.468 -0.005 20 0 GBADMO O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N(Cc1ccccn1)C1CC1 ZINC000423024643 1072487658 /nfs/dbraw/zinc/48/76/58/1072487658.db2.gz JUXQIHGRWGTKGD-QGZVFWFLSA-N 1 1 385.468 -0.005 20 0 GBADMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000423057926 1072491973 /nfs/dbraw/zinc/49/19/73/1072491973.db2.gz IMPURDYDIDNNTK-INIZCTEOSA-N 1 1 393.532 -0.223 20 0 GBADMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000423057927 1072491798 /nfs/dbraw/zinc/49/17/98/1072491798.db2.gz IMPURDYDIDNNTK-MRXNPFEDSA-N 1 1 393.532 -0.223 20 0 GBADMO [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)N3CCN(C4CCCC4)CC3)C2)nn1 ZINC000423059265 1072491910 /nfs/dbraw/zinc/49/19/10/1072491910.db2.gz LJMYJUYTUSQAFD-KRWDZBQOSA-N 1 1 389.504 -0.013 20 0 GBADMO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCN(C4CCCC4)CC3)C2)nn1 ZINC000423059266 1072491840 /nfs/dbraw/zinc/49/18/40/1072491840.db2.gz LJMYJUYTUSQAFD-QGZVFWFLSA-N 1 1 389.504 -0.013 20 0 GBADMO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000423060016 1072492050 /nfs/dbraw/zinc/49/20/50/1072492050.db2.gz HDCRRZDOOBATNN-KRWDZBQOSA-N 1 1 395.548 -0.297 20 0 GBADMO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000423060017 1072491951 /nfs/dbraw/zinc/49/19/51/1072491951.db2.gz HDCRRZDOOBATNN-QGZVFWFLSA-N 1 1 395.548 -0.297 20 0 GBADMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000423062714 1072491783 /nfs/dbraw/zinc/49/17/83/1072491783.db2.gz UUNMIFHFEBDEAJ-HNNXBMFYSA-N 1 1 379.505 -0.613 20 0 GBADMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000423062715 1072492009 /nfs/dbraw/zinc/49/20/09/1072492009.db2.gz UUNMIFHFEBDEAJ-OAHLLOKOSA-N 1 1 379.505 -0.613 20 0 GBADMO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000423063651 1072492855 /nfs/dbraw/zinc/49/28/55/1072492855.db2.gz XBBYDBGXKHCWHS-DLBZAZTESA-N 1 1 393.532 -0.401 20 0 GBADMO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000423063652 1072493002 /nfs/dbraw/zinc/49/30/02/1072493002.db2.gz XBBYDBGXKHCWHS-IAGOWNOFSA-N 1 1 393.532 -0.401 20 0 GBADMO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000423063653 1072493016 /nfs/dbraw/zinc/49/30/16/1072493016.db2.gz XBBYDBGXKHCWHS-IRXDYDNUSA-N 1 1 393.532 -0.401 20 0 GBADMO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000423063654 1072492742 /nfs/dbraw/zinc/49/27/42/1072492742.db2.gz XBBYDBGXKHCWHS-SJORKVTESA-N 1 1 393.532 -0.401 20 0 GBADMO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000423097833 1072498234 /nfs/dbraw/zinc/49/82/34/1072498234.db2.gz RHADFRIFOKKOST-INIZCTEOSA-N 1 1 395.548 -0.107 20 0 GBADMO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N2CCN[C@H](C)C2)CC1 ZINC000423097834 1072498300 /nfs/dbraw/zinc/49/83/00/1072498300.db2.gz RHADFRIFOKKOST-MRXNPFEDSA-N 1 1 395.548 -0.107 20 0 GBADMO COCCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423144867 1072499355 /nfs/dbraw/zinc/49/93/55/1072499355.db2.gz ZTDBDCCAJJEUHD-HNNXBMFYSA-N 1 1 392.456 -0.323 20 0 GBADMO COCCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423144868 1072499318 /nfs/dbraw/zinc/49/93/18/1072499318.db2.gz ZTDBDCCAJJEUHD-OAHLLOKOSA-N 1 1 392.456 -0.323 20 0 GBADMO CC(C)(C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423166787 1072502531 /nfs/dbraw/zinc/50/25/31/1072502531.db2.gz DGKWMUDQVGCIJF-INIZCTEOSA-N 1 1 395.548 -0.120 20 0 GBADMO CC(C)(C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423166788 1072502163 /nfs/dbraw/zinc/50/21/63/1072502163.db2.gz DGKWMUDQVGCIJF-MRXNPFEDSA-N 1 1 395.548 -0.120 20 0 GBADMO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423175844 1072502017 /nfs/dbraw/zinc/50/20/17/1072502017.db2.gz FJRXTWBVGSCPMS-CVEARBPZSA-N 1 1 396.488 -0.937 20 0 GBADMO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423175845 1072502105 /nfs/dbraw/zinc/50/21/05/1072502105.db2.gz FJRXTWBVGSCPMS-HOTGVXAUSA-N 1 1 396.488 -0.937 20 0 GBADMO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423175846 1072503032 /nfs/dbraw/zinc/50/30/32/1072503032.db2.gz FJRXTWBVGSCPMS-HZPDHXFCSA-N 1 1 396.488 -0.937 20 0 GBADMO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423175847 1072503117 /nfs/dbraw/zinc/50/31/17/1072503117.db2.gz FJRXTWBVGSCPMS-JKSUJKDBSA-N 1 1 396.488 -0.937 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCN1 ZINC000423191657 1072504264 /nfs/dbraw/zinc/50/42/64/1072504264.db2.gz UPPUKADDLWJJBZ-HNNXBMFYSA-N 1 1 395.548 -0.251 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCN1 ZINC000423191658 1072504337 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COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000423693517 1072560625 /nfs/dbraw/zinc/56/06/25/1072560625.db2.gz FANBYEIDMBTONU-DZGCQCFKSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000423693525 1072560158 /nfs/dbraw/zinc/56/01/58/1072560158.db2.gz FANBYEIDMBTONU-HIFRSBDPSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000423693531 1072560414 /nfs/dbraw/zinc/56/04/14/1072560414.db2.gz FANBYEIDMBTONU-UKRRQHHQSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000423693542 1072560285 /nfs/dbraw/zinc/56/02/85/1072560285.db2.gz FANBYEIDMBTONU-ZFWWWQNUSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000423693799 1072560579 /nfs/dbraw/zinc/56/05/79/1072560579.db2.gz FLDRCHSQHJOYHJ-GXTWGEPZSA-N 1 1 375.429 -0.563 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000423693806 1072560241 /nfs/dbraw/zinc/56/02/41/1072560241.db2.gz FLDRCHSQHJOYHJ-JSGCOSHPSA-N 1 1 375.429 -0.563 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000423693811 1072560194 /nfs/dbraw/zinc/56/01/94/1072560194.db2.gz FLDRCHSQHJOYHJ-OCCSQVGLSA-N 1 1 375.429 -0.563 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000423693817 1072559935 /nfs/dbraw/zinc/55/99/35/1072559935.db2.gz FLDRCHSQHJOYHJ-TZMCWYRMSA-N 1 1 375.429 -0.563 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000423694510 1072560262 /nfs/dbraw/zinc/56/02/62/1072560262.db2.gz GBFLWHBNJTVELL-DZGCQCFKSA-N 1 1 387.440 -0.596 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000423694511 1072560321 /nfs/dbraw/zinc/56/03/21/1072560321.db2.gz GBFLWHBNJTVELL-HIFRSBDPSA-N 1 1 387.440 -0.596 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000423694512 1072559899 /nfs/dbraw/zinc/55/98/99/1072559899.db2.gz GBFLWHBNJTVELL-UKRRQHHQSA-N 1 1 387.440 -0.596 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000423694513 1072559843 /nfs/dbraw/zinc/55/98/43/1072559843.db2.gz GBFLWHBNJTVELL-ZFWWWQNUSA-N 1 1 387.440 -0.596 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000423695079 1072560357 /nfs/dbraw/zinc/56/03/57/1072560357.db2.gz GMQKYNYQFYGNQK-KRWDZBQOSA-N 1 1 390.484 -0.041 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000423695080 1072560070 /nfs/dbraw/zinc/56/00/70/1072560070.db2.gz GMQKYNYQFYGNQK-QGZVFWFLSA-N 1 1 390.484 -0.041 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@](O)(CO)C1 ZINC000423695679 1072559861 /nfs/dbraw/zinc/55/98/61/1072559861.db2.gz HBGDEYACTPPALP-BEFAXECRSA-N 1 1 377.441 -0.486 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@](O)(CO)C1 ZINC000423695680 1072560482 /nfs/dbraw/zinc/56/04/82/1072560482.db2.gz HBGDEYACTPPALP-DNVCBOLYSA-N 1 1 377.441 -0.486 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@](O)(CO)C1 ZINC000423695681 1072560399 /nfs/dbraw/zinc/56/03/99/1072560399.db2.gz HBGDEYACTPPALP-HNAYVOBHSA-N 1 1 377.441 -0.486 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@](O)(CO)C1 ZINC000423695682 1072561469 /nfs/dbraw/zinc/56/14/69/1072561469.db2.gz HBGDEYACTPPALP-KXBFYZLASA-N 1 1 377.441 -0.486 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000423703742 1072571173 /nfs/dbraw/zinc/57/11/73/1072571173.db2.gz IHEKNIXJLABXIR-DOTOQJQBSA-N 1 1 390.484 -0.307 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000423703743 1072571305 /nfs/dbraw/zinc/57/13/05/1072571305.db2.gz IHEKNIXJLABXIR-NVXWUHKLSA-N 1 1 390.484 -0.307 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000423703744 1072571218 /nfs/dbraw/zinc/57/12/18/1072571218.db2.gz IHEKNIXJLABXIR-RDJZCZTQSA-N 1 1 390.484 -0.307 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000423703745 1072571234 /nfs/dbraw/zinc/57/12/34/1072571234.db2.gz IHEKNIXJLABXIR-WBVHZDCISA-N 1 1 390.484 -0.307 20 0 GBADMO C[NH2+]CCN(C)C(=O)C(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000423703963 1073014785 /nfs/dbraw/zinc/01/47/85/1073014785.db2.gz CYTZITLVDLBOLE-UHFFFAOYSA-N 1 1 375.517 -0.060 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000423705375 1072565989 /nfs/dbraw/zinc/56/59/89/1072565989.db2.gz KWMLRNNZGYKMGT-IJEWVQPXSA-N 1 1 375.425 -0.206 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000423705379 1072565566 /nfs/dbraw/zinc/56/55/66/1072565566.db2.gz KWMLRNNZGYKMGT-LZWOXQAQSA-N 1 1 375.425 -0.206 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000423706337 1072565530 /nfs/dbraw/zinc/56/55/30/1072565530.db2.gz MPZHKAQZBAYSQE-FOIQADDNSA-N 1 1 386.452 -0.093 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000423706342 1072565837 /nfs/dbraw/zinc/56/58/37/1072565837.db2.gz MPZHKAQZBAYSQE-MGPUTAFESA-N 1 1 386.452 -0.093 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000423706346 1072566083 /nfs/dbraw/zinc/56/60/83/1072566083.db2.gz MPZHKAQZBAYSQE-QRWLVFNGSA-N 1 1 386.452 -0.093 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000423706349 1072566003 /nfs/dbraw/zinc/56/60/03/1072566003.db2.gz MPZHKAQZBAYSQE-YWZLYKJASA-N 1 1 386.452 -0.093 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000423707577 1072566017 /nfs/dbraw/zinc/56/60/17/1072566017.db2.gz OKRCWNBKSOSRFI-JLJPHGGASA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000423707578 1072566070 /nfs/dbraw/zinc/56/60/70/1072566070.db2.gz OKRCWNBKSOSRFI-KMFMINBZSA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000423707579 1072565656 /nfs/dbraw/zinc/56/56/56/1072565656.db2.gz OKRCWNBKSOSRFI-QRTARXTBSA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000423707580 1072565413 /nfs/dbraw/zinc/56/54/13/1072565413.db2.gz OKRCWNBKSOSRFI-UKPHBRMFSA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000423708040 1072565556 /nfs/dbraw/zinc/56/55/56/1072565556.db2.gz PHIFNTXQFNXSHI-AWEZNQCLSA-N 1 1 381.454 -0.575 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000423708050 1072566096 /nfs/dbraw/zinc/56/60/96/1072566096.db2.gz PHIFNTXQFNXSHI-CQSZACIVSA-N 1 1 381.454 -0.575 20 0 GBADMO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCNC(C)(C)C2)CC1 ZINC000423710886 1072567054 /nfs/dbraw/zinc/56/70/54/1072567054.db2.gz LVUSIRWEBFIFFF-UHFFFAOYSA-N 1 1 384.521 -0.217 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)CCO1 ZINC000423711103 1072566042 /nfs/dbraw/zinc/56/60/42/1072566042.db2.gz SZYXFXOSZMRFIF-GDBMZVCRSA-N 1 1 391.424 -0.432 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)CCO1 ZINC000423711104 1072565470 /nfs/dbraw/zinc/56/54/70/1072565470.db2.gz SZYXFXOSZMRFIF-GOEBONIOSA-N 1 1 391.424 -0.432 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)CCO1 ZINC000423711105 1072566131 /nfs/dbraw/zinc/56/61/31/1072566131.db2.gz SZYXFXOSZMRFIF-HOCLYGCPSA-N 1 1 391.424 -0.432 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)CCO1 ZINC000423711106 1072565976 /nfs/dbraw/zinc/56/59/76/1072565976.db2.gz SZYXFXOSZMRFIF-ZBFHGGJFSA-N 1 1 391.424 -0.432 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000423712500 1072566901 /nfs/dbraw/zinc/56/69/01/1072566901.db2.gz VUFVLNJIVCALDD-HNNXBMFYSA-N 1 1 391.472 -0.102 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000423712501 1072566954 /nfs/dbraw/zinc/56/69/54/1072566954.db2.gz VUFVLNJIVCALDD-OAHLLOKOSA-N 1 1 391.472 -0.102 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000423714507 1072567039 /nfs/dbraw/zinc/56/70/39/1072567039.db2.gz YDPJBQVEYRODGQ-DZGCQCFKSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000423714510 1072566590 /nfs/dbraw/zinc/56/65/90/1072566590.db2.gz YDPJBQVEYRODGQ-HIFRSBDPSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000423714515 1072566559 /nfs/dbraw/zinc/56/65/59/1072566559.db2.gz YDPJBQVEYRODGQ-UKRRQHHQSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000423714521 1072566492 /nfs/dbraw/zinc/56/64/92/1072566492.db2.gz YDPJBQVEYRODGQ-ZFWWWQNUSA-N 1 1 395.481 -0.186 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000423714702 1072567844 /nfs/dbraw/zinc/56/78/44/1072567844.db2.gz YLFLOHPIQLXSNI-DZKIICNBSA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000423714703 1072567514 /nfs/dbraw/zinc/56/75/14/1072567514.db2.gz YLFLOHPIQLXSNI-FMKPAKJESA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000423714706 1072567403 /nfs/dbraw/zinc/56/74/03/1072567403.db2.gz YLFLOHPIQLXSNI-LZWOXQAQSA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000423714710 1072567957 /nfs/dbraw/zinc/56/79/57/1072567957.db2.gz YLFLOHPIQLXSNI-YCPHGPKFSA-N 1 1 377.441 -0.224 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000423716037 1072567387 /nfs/dbraw/zinc/56/73/87/1072567387.db2.gz ZQSOOASXVIVANA-GXTWGEPZSA-N 1 1 396.469 -0.943 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000423716040 1072568006 /nfs/dbraw/zinc/56/80/06/1072568006.db2.gz ZQSOOASXVIVANA-JSGCOSHPSA-N 1 1 396.469 -0.943 20 0 GBADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000423716044 1072567793 /nfs/dbraw/zinc/56/77/93/1072567793.db2.gz ZQSOOASXVIVANA-OCCSQVGLSA-N 1 1 396.469 -0.943 20 0 GBADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000423716047 1072567912 /nfs/dbraw/zinc/56/79/12/1072567912.db2.gz ZQSOOASXVIVANA-TZMCWYRMSA-N 1 1 396.469 -0.943 20 0 GBADMO CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000423754274 1072573453 /nfs/dbraw/zinc/57/34/53/1072573453.db2.gz ZGPXKRRRMRPCCZ-INIZCTEOSA-N 1 1 381.521 -0.401 20 0 GBADMO CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000423754276 1072573129 /nfs/dbraw/zinc/57/31/29/1072573129.db2.gz ZGPXKRRRMRPCCZ-MRXNPFEDSA-N 1 1 381.521 -0.401 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000424108237 530356765 /nfs/dbraw/zinc/35/67/65/530356765.db2.gz PTPDWEHCWPJZMW-UHFFFAOYSA-N 1 1 375.451 -0.389 20 0 GBADMO Cn1cc([C@@H]2CN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)C[C@H]2[NH3+])cn1 ZINC000424225793 1072587211 /nfs/dbraw/zinc/58/72/11/1072587211.db2.gz NMQXOPWYXBYLHA-JKSUJKDBSA-N 1 1 394.435 -0.055 20 0 GBADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424485125 1072597051 /nfs/dbraw/zinc/59/70/51/1072597051.db2.gz BPXFRYNELXLVGA-IXDOHACOSA-N 1 1 392.504 -0.854 20 0 GBADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424485126 1072597143 /nfs/dbraw/zinc/59/71/43/1072597143.db2.gz BPXFRYNELXLVGA-YESZJQIVSA-N 1 1 392.504 -0.854 20 0 GBADMO CN(CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000424512133 1072599397 /nfs/dbraw/zinc/59/93/97/1072599397.db2.gz UZNCKAKQAHEGLZ-ZWKOTPCHSA-N 1 1 384.484 -0.079 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)([NH2+]CC(=O)[O-])C2)CC1 ZINC000424513170 1072602925 /nfs/dbraw/zinc/60/29/25/1072602925.db2.gz 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1 1 389.460 -0.281 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)CC1=O ZINC000425317591 1072679824 /nfs/dbraw/zinc/67/98/24/1072679824.db2.gz NEKVBJVUPGCFFB-CQSZACIVSA-N 1 1 389.460 -0.281 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC1=O ZINC000425318380 1073051655 /nfs/dbraw/zinc/05/16/55/1073051655.db2.gz OPBYWQBAUQJWAL-AWEZNQCLSA-N 1 1 393.488 -0.568 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC1=O ZINC000425318381 1073051319 /nfs/dbraw/zinc/05/13/19/1073051319.db2.gz OPBYWQBAUQJWAL-CQSZACIVSA-N 1 1 393.488 -0.568 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)CC1=O ZINC000425319289 1072681421 /nfs/dbraw/zinc/68/14/21/1072681421.db2.gz PRKYUXJICHVGJX-GDBMZVCRSA-N 1 1 377.489 -0.180 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(=O)[nH]c(N(C)C)n2)CC1=O ZINC000425321762 1072682489 /nfs/dbraw/zinc/68/24/89/1072682489.db2.gz RVJJENCVEQLSBW-GFCCVEGCSA-N 1 1 380.449 -0.843 20 0 GBADMO 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ZINC000425769562 1072799656 /nfs/dbraw/zinc/79/96/56/1072799656.db2.gz IAEIRCFYTLOGMM-ZDUSSCGKSA-N 1 1 378.433 -0.087 20 0 GBADMO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000425773109 1072800716 /nfs/dbraw/zinc/80/07/16/1072800716.db2.gz NWGDVBVJFMWJQB-UHFFFAOYSA-N 1 1 380.449 0.018 20 0 GBADMO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000425778819 1072802444 /nfs/dbraw/zinc/80/24/44/1072802444.db2.gz YBJVTPQTXJYOGB-GFCCVEGCSA-N 1 1 380.449 0.016 20 0 GBADMO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000425778821 1072802597 /nfs/dbraw/zinc/80/25/97/1072802597.db2.gz YBJVTPQTXJYOGB-LBPRGKRZSA-N 1 1 380.449 0.016 20 0 GBADMO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000425780847 1072803383 /nfs/dbraw/zinc/80/33/83/1072803383.db2.gz DPCQWHIGCDTJMK-BFHYXJOUSA-N 1 1 392.460 -0.032 20 0 GBADMO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000425780850 1072803778 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LLUCXAGEGOUGMN-UHFFFAOYSA-N 1 1 395.460 -0.128 20 0 GBADMO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425803728 1072815627 /nfs/dbraw/zinc/81/56/27/1072815627.db2.gz LTOSLOOUJGDRKE-UHFFFAOYSA-N 1 1 395.460 0.105 20 0 GBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]3O)cc2)CC1 ZINC000425803888 1072815723 /nfs/dbraw/zinc/81/57/23/1072815723.db2.gz IXYGJAPWYVCACX-IAGOWNOFSA-N 1 1 388.468 -0.029 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2c(C(=O)OC)cnn2C)CC1 ZINC000425806905 1073896969 /nfs/dbraw/zinc/89/69/69/1073896969.db2.gz RSMOPLIFNPLXHU-UHFFFAOYSA-N 1 1 381.433 -0.286 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000425807426 1072817832 /nfs/dbraw/zinc/81/78/32/1072817832.db2.gz SDTOABYTSNASCJ-UHFFFAOYSA-N 1 1 398.485 -0.158 20 0 GBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)cn1 ZINC000425810152 1072817357 /nfs/dbraw/zinc/81/73/57/1072817357.db2.gz XTMFINUMTUNDMR-UHFFFAOYSA-N 1 1 380.449 -0.863 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000425810784 1072819770 /nfs/dbraw/zinc/81/97/70/1072819770.db2.gz YMRGQVJOGKRCPJ-UHFFFAOYSA-N 1 1 393.444 -0.303 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)S(N)(=O)=O ZINC000425811069 1072818529 /nfs/dbraw/zinc/81/85/29/1072818529.db2.gz MGLRIROHWCQARX-CWRNSKLLSA-N 1 1 394.497 -0.488 20 0 GBADMO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)S(N)(=O)=O ZINC000425811070 1072819725 /nfs/dbraw/zinc/81/97/25/1072819725.db2.gz MGLRIROHWCQARX-VNQPRFMTSA-N 1 1 394.497 -0.488 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000425811180 1072818486 /nfs/dbraw/zinc/81/84/86/1072818486.db2.gz ZMDOCRMBTGYEAE-UHFFFAOYSA-N 1 1 398.485 -0.007 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]1O ZINC000425811575 1072818840 /nfs/dbraw/zinc/81/88/40/1072818840.db2.gz LTBLPSYQNLPQPH-UKRRQHHQSA-N 1 1 390.440 -0.339 20 0 GBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1=O ZINC000425814377 1072820000 /nfs/dbraw/zinc/82/00/00/1072820000.db2.gz BJHXVYRFSRWKIC-DZGCQCFKSA-N 1 1 390.440 -0.098 20 0 GBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)c2C)no1 ZINC000425817456 1072821334 /nfs/dbraw/zinc/82/13/34/1072821334.db2.gz HMTKCCDJPYFHJF-QWHCGFSZSA-N 1 1 388.432 -0.183 20 0 GBADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)[C@@H]2C1 ZINC000425817852 1072820731 /nfs/dbraw/zinc/82/07/31/1072820731.db2.gz WWYKBAUREUSNAM-DZGCQCFKSA-N 1 1 387.440 -0.607 20 0 GBADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000425824020 1072825952 /nfs/dbraw/zinc/82/59/52/1072825952.db2.gz XRADVBNWBHCCQN-IINYFYTJSA-N 1 1 384.433 -0.036 20 0 GBADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@@H]2C1 ZINC000425824353 1072826864 /nfs/dbraw/zinc/82/68/64/1072826864.db2.gz YSWUBLSDGNFWKE-DZGCQCFKSA-N 1 1 386.456 -0.491 20 0 GBADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1=O ZINC000425825997 1072825639 /nfs/dbraw/zinc/82/56/39/1072825639.db2.gz LWXAEMCUFRWHGH-CYBMUJFWSA-N 1 1 389.412 -0.611 20 0 GBADMO CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1=O ZINC000425825998 1072825980 /nfs/dbraw/zinc/82/59/80/1072825980.db2.gz LWXAEMCUFRWHGH-ZDUSSCGKSA-N 1 1 389.412 -0.611 20 0 GBADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC000425861832 1072834840 /nfs/dbraw/zinc/83/48/40/1072834840.db2.gz JJCYDBYPCYPHQP-KFWWJZLASA-N 1 1 382.505 -0.025 20 0 GBADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000425861833 1072834632 /nfs/dbraw/zinc/83/46/32/1072834632.db2.gz JJCYDBYPCYPHQP-QLFBSQMISA-N 1 1 382.505 -0.025 20 0 GBADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000425861833 1072834620 /nfs/dbraw/zinc/83/46/20/1072834620.db2.gz JJCYDBYPCYPHQP-QLFBSQMISA-N 1 1 382.505 -0.025 20 0 GBADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC000425861834 1072834186 /nfs/dbraw/zinc/83/41/86/1072834186.db2.gz JJCYDBYPCYPHQP-RBSFLKMASA-N 1 1 382.505 -0.025 20 0 GBADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000425861835 1072835023 /nfs/dbraw/zinc/83/50/23/1072835023.db2.gz JJCYDBYPCYPHQP-ZNMIVQPWSA-N 1 1 382.505 -0.025 20 0 GBADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000425861835 1072835010 /nfs/dbraw/zinc/83/50/10/1072835010.db2.gz JJCYDBYPCYPHQP-ZNMIVQPWSA-N 1 1 382.505 -0.025 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000425862648 1072834883 /nfs/dbraw/zinc/83/48/83/1072834883.db2.gz KQDZUJBGMBPAQD-CVEARBPZSA-N 1 1 378.477 -0.085 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000425862649 1072834663 /nfs/dbraw/zinc/83/46/63/1072834663.db2.gz KQDZUJBGMBPAQD-HOTGVXAUSA-N 1 1 378.477 -0.085 20 0 GBADMO 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C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000426177890 1072912665 /nfs/dbraw/zinc/91/26/65/1072912665.db2.gz IOKZDRLTARZXFH-GFCCVEGCSA-N 1 1 398.485 -0.424 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000426177891 1072912844 /nfs/dbraw/zinc/91/28/44/1072912844.db2.gz IOKZDRLTARZXFH-LBPRGKRZSA-N 1 1 398.485 -0.424 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000426177891 1072912840 /nfs/dbraw/zinc/91/28/40/1072912840.db2.gz IOKZDRLTARZXFH-LBPRGKRZSA-N 1 1 398.485 -0.424 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000426191289 1072915019 /nfs/dbraw/zinc/91/50/19/1072915019.db2.gz KAYFYTDTOKMIEA-INIZCTEOSA-N 1 1 396.513 -0.096 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000426191289 1072915012 /nfs/dbraw/zinc/91/50/12/1072915012.db2.gz KAYFYTDTOKMIEA-INIZCTEOSA-N 1 1 396.513 -0.096 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000426191290 1072914722 /nfs/dbraw/zinc/91/47/22/1072914722.db2.gz KAYFYTDTOKMIEA-MRXNPFEDSA-N 1 1 396.513 -0.096 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000426191290 1072914713 /nfs/dbraw/zinc/91/47/13/1072914713.db2.gz KAYFYTDTOKMIEA-MRXNPFEDSA-N 1 1 396.513 -0.096 20 0 GBADMO C[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426198643 1072423706 /nfs/dbraw/zinc/42/37/06/1072423706.db2.gz LDHXRMXBCQDFCM-IAGOWNOFSA-N 1 1 382.505 -0.775 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000426290250 1072933946 /nfs/dbraw/zinc/93/39/46/1072933946.db2.gz OIFLZYYQMYEBKA-HNNXBMFYSA-N 1 1 396.536 -0.480 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000426290251 1072934437 /nfs/dbraw/zinc/93/44/37/1072934437.db2.gz OIFLZYYQMYEBKA-OAHLLOKOSA-N 1 1 396.536 -0.480 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000426304759 1072935227 /nfs/dbraw/zinc/93/52/27/1072935227.db2.gz UFQZUOVCKLVSCZ-CYBMUJFWSA-N 1 1 396.469 -0.547 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000426304760 1072935014 /nfs/dbraw/zinc/93/50/14/1072935014.db2.gz UFQZUOVCKLVSCZ-ZDUSSCGKSA-N 1 1 396.469 -0.547 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000426349144 1072941776 /nfs/dbraw/zinc/94/17/76/1072941776.db2.gz BFVHYVINYWJBDZ-UHFFFAOYSA-N 1 1 382.509 -0.870 20 0 GBADMO COCCC(=O)N1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000426429226 1072957702 /nfs/dbraw/zinc/95/77/02/1072957702.db2.gz WLBKZPWDUMAANO-UHFFFAOYSA-N 1 1 397.520 -0.181 20 0 GBADMO CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000426454567 1072428371 /nfs/dbraw/zinc/42/83/71/1072428371.db2.gz QQJBBGFRPPYDCZ-FQEVSTJZSA-N 1 1 396.532 -0.526 20 0 GBADMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000426454568 1072428129 /nfs/dbraw/zinc/42/81/29/1072428129.db2.gz QQJBBGFRPPYDCZ-HXUWFJFHSA-N 1 1 396.532 -0.526 20 0 GBADMO C[C@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[N@H+]1CCO ZINC000426456236 1072962291 /nfs/dbraw/zinc/96/22/91/1072962291.db2.gz DEGCOWSRZLAEBS-INIZCTEOSA-N 1 1 383.537 -0.956 20 0 GBADMO C[C@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[N@@H+]1CCO ZINC000426456236 1072962280 /nfs/dbraw/zinc/96/22/80/1072962280.db2.gz DEGCOWSRZLAEBS-INIZCTEOSA-N 1 1 383.537 -0.956 20 0 GBADMO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[N@H+]1CCO ZINC000426456237 1072962308 /nfs/dbraw/zinc/96/23/08/1072962308.db2.gz DEGCOWSRZLAEBS-MRXNPFEDSA-N 1 1 383.537 -0.956 20 0 GBADMO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC[N@@H+]1CCO ZINC000426456237 1072962306 /nfs/dbraw/zinc/96/23/06/1072962306.db2.gz DEGCOWSRZLAEBS-MRXNPFEDSA-N 1 1 383.537 -0.956 20 0 GBADMO C[C@@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000426460297 1072962558 /nfs/dbraw/zinc/96/25/58/1072962558.db2.gz MZDIRWDBKSYKML-CYBMUJFWSA-N 1 1 380.474 -0.436 20 0 GBADMO C[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000426460299 1072962477 /nfs/dbraw/zinc/96/24/77/1072962477.db2.gz MZDIRWDBKSYKML-ZDUSSCGKSA-N 1 1 380.474 -0.436 20 0 GBADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000426467722 1072963314 /nfs/dbraw/zinc/96/33/14/1072963314.db2.gz HYPZWWCNMWKTLN-CYBMUJFWSA-N 1 1 384.502 -0.112 20 0 GBADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000426467722 1072963309 /nfs/dbraw/zinc/96/33/09/1072963309.db2.gz HYPZWWCNMWKTLN-CYBMUJFWSA-N 1 1 384.502 -0.112 20 0 GBADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000426467724 1072963200 /nfs/dbraw/zinc/96/32/00/1072963200.db2.gz HYPZWWCNMWKTLN-ZDUSSCGKSA-N 1 1 384.502 -0.112 20 0 GBADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000426467724 1072963194 /nfs/dbraw/zinc/96/31/94/1072963194.db2.gz HYPZWWCNMWKTLN-ZDUSSCGKSA-N 1 1 384.502 -0.112 20 0 GBADMO CC(C)N(CCCNC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1)S(C)(=O)=O ZINC000426470304 530374991 /nfs/dbraw/zinc/37/49/91/530374991.db2.gz SZEYBYGGULGEHH-HNNXBMFYSA-N 1 1 378.539 -0.839 20 0 GBADMO CC(C)N(CCCNC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1)S(C)(=O)=O ZINC000426470304 530374990 /nfs/dbraw/zinc/37/49/90/530374990.db2.gz SZEYBYGGULGEHH-HNNXBMFYSA-N 1 1 378.539 -0.839 20 0 GBADMO CC(C)N(CCCNC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1)S(C)(=O)=O ZINC000426470305 530374697 /nfs/dbraw/zinc/37/46/97/530374697.db2.gz SZEYBYGGULGEHH-OAHLLOKOSA-N 1 1 378.539 -0.839 20 0 GBADMO CC(C)N(CCCNC(=O)CN1CC[N@H+](CCO)[C@H](C)C1)S(C)(=O)=O ZINC000426470305 530374695 /nfs/dbraw/zinc/37/46/95/530374695.db2.gz SZEYBYGGULGEHH-OAHLLOKOSA-N 1 1 378.539 -0.839 20 0 GBADMO C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000426471904 1072964362 /nfs/dbraw/zinc/96/43/62/1072964362.db2.gz XNPZZCZHRDPMIJ-AWEZNQCLSA-N 1 1 384.502 -0.126 20 0 GBADMO C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000426471904 1072964359 /nfs/dbraw/zinc/96/43/59/1072964359.db2.gz XNPZZCZHRDPMIJ-AWEZNQCLSA-N 1 1 384.502 -0.126 20 0 GBADMO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000426471908 1072964167 /nfs/dbraw/zinc/96/41/67/1072964167.db2.gz XNPZZCZHRDPMIJ-CQSZACIVSA-N 1 1 384.502 -0.126 20 0 GBADMO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000426471908 1072964159 /nfs/dbraw/zinc/96/41/59/1072964159.db2.gz XNPZZCZHRDPMIJ-CQSZACIVSA-N 1 1 384.502 -0.126 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+](CCO)[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000426473127 1072965228 /nfs/dbraw/zinc/96/52/28/1072965228.db2.gz WCKKFWAVVQQEDZ-ILXRZTDVSA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@H+](CCO)[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000426473127 1072965220 /nfs/dbraw/zinc/96/52/20/1072965220.db2.gz WCKKFWAVVQQEDZ-ILXRZTDVSA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+](CCO)[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000426473131 1072965477 /nfs/dbraw/zinc/96/54/77/1072965477.db2.gz WCKKFWAVVQQEDZ-KKUMJFAQSA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@H+](CCO)[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000426473131 1072965474 /nfs/dbraw/zinc/96/54/74/1072965474.db2.gz WCKKFWAVVQQEDZ-KKUMJFAQSA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426473132 1072965168 /nfs/dbraw/zinc/96/51/68/1072965168.db2.gz WCKKFWAVVQQEDZ-QLFBSQMISA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000426473132 1072965160 /nfs/dbraw/zinc/96/51/60/1072965160.db2.gz WCKKFWAVVQQEDZ-QLFBSQMISA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426473133 1072965067 /nfs/dbraw/zinc/96/50/67/1072965067.db2.gz WCKKFWAVVQQEDZ-SOUVJXGZSA-N 1 1 398.529 -0.102 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426473133 1072965047 /nfs/dbraw/zinc/96/50/47/1072965047.db2.gz WCKKFWAVVQQEDZ-SOUVJXGZSA-N 1 1 398.529 -0.102 20 0 GBADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000426484857 1072966787 /nfs/dbraw/zinc/96/67/87/1072966787.db2.gz VBWKQYLKWLLCHL-DLBZAZTESA-N 1 1 381.521 -0.171 20 0 GBADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000426484860 1072966758 /nfs/dbraw/zinc/96/67/58/1072966758.db2.gz VBWKQYLKWLLCHL-IAGOWNOFSA-N 1 1 381.521 -0.171 20 0 GBADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000426484861 1072967501 /nfs/dbraw/zinc/96/75/01/1072967501.db2.gz VBWKQYLKWLLCHL-IRXDYDNUSA-N 1 1 381.521 -0.171 20 0 GBADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000426484862 1072967487 /nfs/dbraw/zinc/96/74/87/1072967487.db2.gz VBWKQYLKWLLCHL-SJORKVTESA-N 1 1 381.521 -0.171 20 0 GBADMO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426491184 1072967653 /nfs/dbraw/zinc/96/76/53/1072967653.db2.gz FSPJRXGCPXHNSH-HNNXBMFYSA-N 1 1 378.473 -0.098 20 0 GBADMO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426491184 1072967647 /nfs/dbraw/zinc/96/76/47/1072967647.db2.gz FSPJRXGCPXHNSH-HNNXBMFYSA-N 1 1 378.473 -0.098 20 0 GBADMO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426491185 1072967409 /nfs/dbraw/zinc/96/74/09/1072967409.db2.gz FSPJRXGCPXHNSH-OAHLLOKOSA-N 1 1 378.473 -0.098 20 0 GBADMO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426491185 1072967406 /nfs/dbraw/zinc/96/74/06/1072967406.db2.gz FSPJRXGCPXHNSH-OAHLLOKOSA-N 1 1 378.473 -0.098 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)ccc1C ZINC000426494185 1072970212 /nfs/dbraw/zinc/97/02/12/1072970212.db2.gz ZDCPVCZZZLYPQK-AWEZNQCLSA-N 1 1 384.502 -0.160 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)ccc1C ZINC000426494185 1072970211 /nfs/dbraw/zinc/97/02/11/1072970211.db2.gz ZDCPVCZZZLYPQK-AWEZNQCLSA-N 1 1 384.502 -0.160 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)ccc1C ZINC000426494186 1072969939 /nfs/dbraw/zinc/96/99/39/1072969939.db2.gz ZDCPVCZZZLYPQK-CQSZACIVSA-N 1 1 384.502 -0.160 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)ccc1C ZINC000426494186 1072969925 /nfs/dbraw/zinc/96/99/25/1072969925.db2.gz ZDCPVCZZZLYPQK-CQSZACIVSA-N 1 1 384.502 -0.160 20 0 GBADMO C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000426559528 1072985216 /nfs/dbraw/zinc/98/52/16/1072985216.db2.gz MQNGAFMHJHTYAQ-ACJLOTCBSA-N 1 1 379.461 -0.008 20 0 GBADMO C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000426559530 1072985569 /nfs/dbraw/zinc/98/55/69/1072985569.db2.gz MQNGAFMHJHTYAQ-FZKQIMNGSA-N 1 1 379.461 -0.008 20 0 GBADMO C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000426559532 1072985155 /nfs/dbraw/zinc/98/51/55/1072985155.db2.gz MQNGAFMHJHTYAQ-SCLBCKFNSA-N 1 1 379.461 -0.008 20 0 GBADMO C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000426559534 1072985590 /nfs/dbraw/zinc/98/55/90/1072985590.db2.gz 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IFDPYRMSNMBRMC-UHFFFAOYSA-N 1 1 375.376 -0.125 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)C[C@H]1C ZINC000426972369 1073047758 /nfs/dbraw/zinc/04/77/58/1073047758.db2.gz OIJGFKZTQJLEBL-NXEZZACHSA-N 1 1 375.376 -0.127 20 0 GBADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)C[C@H]1C ZINC000426972369 1073047748 /nfs/dbraw/zinc/04/77/48/1073047748.db2.gz OIJGFKZTQJLEBL-NXEZZACHSA-N 1 1 375.376 -0.127 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)C[C@@H]1C ZINC000426972370 1073047710 /nfs/dbraw/zinc/04/77/10/1073047710.db2.gz OIJGFKZTQJLEBL-UWVGGRQHSA-N 1 1 375.376 -0.127 20 0 GBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)C[C@@H]1C ZINC000426972370 1073047701 /nfs/dbraw/zinc/04/77/01/1073047701.db2.gz OIJGFKZTQJLEBL-UWVGGRQHSA-N 1 1 375.376 -0.127 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)C[C@@H]1C ZINC000426972371 1073047621 /nfs/dbraw/zinc/04/76/21/1073047621.db2.gz OIJGFKZTQJLEBL-VHSXEESVSA-N 1 1 375.376 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OGQLWUIONACQTA-UHFFFAOYSA-N 1 1 379.433 -0.161 20 0 GBADMO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)C[NH3+])s1 ZINC000427160387 530100886 /nfs/dbraw/zinc/10/08/86/530100886.db2.gz AWHIYICCHDXPBI-UHFFFAOYSA-N 1 1 384.430 -0.627 20 0 GBADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000427275990 1073064107 /nfs/dbraw/zinc/06/41/07/1073064107.db2.gz RLFHUQKJKDNRRH-UHFFFAOYSA-N 1 1 377.445 -0.106 20 0 GBADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000427276358 1073064045 /nfs/dbraw/zinc/06/40/45/1073064045.db2.gz UCPPMTMGCQATAJ-UHFFFAOYSA-N 1 1 377.445 -0.106 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000427314171 530101986 /nfs/dbraw/zinc/10/19/86/530101986.db2.gz PICKNEVYUQKDFY-IJLUTSLNSA-N 1 1 381.445 -0.194 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000427314175 530101929 /nfs/dbraw/zinc/10/19/29/530101929.db2.gz PICKNEVYUQKDFY-QJPTWQEYSA-N 1 1 381.445 -0.194 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000427314177 530102009 /nfs/dbraw/zinc/10/20/09/530102009.db2.gz PICKNEVYUQKDFY-TUAOUCFPSA-N 1 1 381.445 -0.194 20 0 GBADMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000427314179 530102072 /nfs/dbraw/zinc/10/20/72/530102072.db2.gz PICKNEVYUQKDFY-UTUOFQBUSA-N 1 1 381.445 -0.194 20 0 GBADMO CC[N@@H+](CCNC(=O)CN1CCN(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC000427409861 530108236 /nfs/dbraw/zinc/10/82/36/530108236.db2.gz XKTZMIIWOKENGN-UHFFFAOYSA-N 1 1 388.456 -0.046 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCN1CCO ZINC000427429623 1073071917 /nfs/dbraw/zinc/07/19/17/1073071917.db2.gz UOVOMBCVGXATBL-AWEZNQCLSA-N 1 1 391.472 -0.350 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCN1CCO ZINC000427429624 1073071517 /nfs/dbraw/zinc/07/15/17/1073071517.db2.gz UOVOMBCVGXATBL-CQSZACIVSA-N 1 1 391.472 -0.350 20 0 GBADMO CN(C(=O)CC(=O)NCC1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000427456442 1073073900 /nfs/dbraw/zinc/07/39/00/1073073900.db2.gz PJDNFFMGPYGHOZ-UHFFFAOYSA-N 1 1 393.532 -0.401 20 0 GBADMO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000427462033 1073073997 /nfs/dbraw/zinc/07/39/97/1073073997.db2.gz HFVOZOYLNZLROJ-JXFKEZNVSA-N 1 1 388.468 -0.151 20 0 GBADMO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000427462034 1073073842 /nfs/dbraw/zinc/07/38/42/1073073842.db2.gz HFVOZOYLNZLROJ-OXJNMPFZSA-N 1 1 388.468 -0.151 20 0 GBADMO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000427462035 1073074144 /nfs/dbraw/zinc/07/41/44/1073074144.db2.gz HFVOZOYLNZLROJ-OXQOHEQNSA-N 1 1 388.468 -0.151 20 0 GBADMO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000427462036 1073074476 /nfs/dbraw/zinc/07/44/76/1073074476.db2.gz HFVOZOYLNZLROJ-UZLBHIALSA-N 1 1 388.468 -0.151 20 0 GBADMO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000427477229 1073074835 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OMRRSZVYYMLFMZ-HXUWFJFHSA-N 1 1 388.468 -0.280 20 0 GBADMO C[C@](O)(CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000427647689 1073203639 /nfs/dbraw/zinc/20/36/39/1073203639.db2.gz WSIUJCOYZNQOFZ-PMACEKPBSA-N 1 1 391.468 -0.407 20 0 GBADMO C[C@@](O)(CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000427647695 1073203614 /nfs/dbraw/zinc/20/36/14/1073203614.db2.gz WSIUJCOYZNQOFZ-UXHICEINSA-N 1 1 391.468 -0.407 20 0 GBADMO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000427647697 1073203320 /nfs/dbraw/zinc/20/33/20/1073203320.db2.gz WSIUJCOYZNQOFZ-VQTJNVASSA-N 1 1 391.468 -0.407 20 0 GBADMO C[C@@](O)(CNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000427647699 1073203542 /nfs/dbraw/zinc/20/35/42/1073203542.db2.gz WSIUJCOYZNQOFZ-WOJBJXKFSA-N 1 1 391.468 -0.407 20 0 GBADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000427699444 1073208882 /nfs/dbraw/zinc/20/88/82/1073208882.db2.gz XKUUFVSGXJPCRT-GFCCVEGCSA-N 1 1 375.429 -0.169 20 0 GBADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000427699446 1073208666 /nfs/dbraw/zinc/20/86/66/1073208666.db2.gz XKUUFVSGXJPCRT-LBPRGKRZSA-N 1 1 375.429 -0.169 20 0 GBADMO C[NH+](C)CCN(C(=O)CNC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000427711180 1072475266 /nfs/dbraw/zinc/47/52/66/1072475266.db2.gz RVOLXIDWVPQARR-CYBMUJFWSA-N 1 1 386.474 -0.344 20 0 GBADMO C[NH+](C)CCN(C(=O)CNC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000427711181 1073208685 /nfs/dbraw/zinc/20/86/85/1073208685.db2.gz RVOLXIDWVPQARR-ZDUSSCGKSA-N 1 1 386.474 -0.344 20 0 GBADMO C[NH+](C)CCN(C(=O)CNC(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000427714446 1073209533 /nfs/dbraw/zinc/20/95/33/1073209533.db2.gz LTFSOSRBUITKFK-INIZCTEOSA-N 1 1 381.498 -0.077 20 0 GBADMO C[NH+](C)CCN(C(=O)CNC(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000427714448 1073209400 /nfs/dbraw/zinc/20/94/00/1073209400.db2.gz LTFSOSRBUITKFK-MRXNPFEDSA-N 1 1 381.498 -0.077 20 0 GBADMO CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000427718153 530110574 /nfs/dbraw/zinc/11/05/74/530110574.db2.gz GBSCWDFUZDPVAX-CHWSQXEVSA-N 1 1 377.532 -0.125 20 0 GBADMO CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000427718157 530110749 /nfs/dbraw/zinc/11/07/49/530110749.db2.gz GBSCWDFUZDPVAX-OLZOCXBDSA-N 1 1 377.532 -0.125 20 0 GBADMO CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000427718158 530110532 /nfs/dbraw/zinc/11/05/32/530110532.db2.gz GBSCWDFUZDPVAX-QWHCGFSZSA-N 1 1 377.532 -0.125 20 0 GBADMO CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000427718160 530110622 /nfs/dbraw/zinc/11/06/22/530110622.db2.gz GBSCWDFUZDPVAX-STQMWFEESA-N 1 1 377.532 -0.125 20 0 GBADMO C[NH+](C)CCN(C(=O)c1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000427732865 1073210058 /nfs/dbraw/zinc/21/00/58/1073210058.db2.gz YSSYVUWDAKYMGG-AWEZNQCLSA-N 1 1 383.470 -0.258 20 0 GBADMO C[NH+](C)CCN(C(=O)c1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000427732866 1073210218 /nfs/dbraw/zinc/21/02/18/1073210218.db2.gz YSSYVUWDAKYMGG-CQSZACIVSA-N 1 1 383.470 -0.258 20 0 GBADMO C[NH+](C)CCN(C(=O)CCn1nc2ccccn2c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000427733109 1072478574 /nfs/dbraw/zinc/47/85/74/1072478574.db2.gz DFKOLRWAZUOLTJ-AWEZNQCLSA-N 1 1 395.485 -0.537 20 0 GBADMO C[NH+](C)CCN(C(=O)CCn1nc2ccccn2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000427733110 1073209934 /nfs/dbraw/zinc/20/99/34/1073209934.db2.gz DFKOLRWAZUOLTJ-CQSZACIVSA-N 1 1 395.485 -0.537 20 0 GBADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C[C@H]2C1 ZINC000427775594 1073212480 /nfs/dbraw/zinc/21/24/80/1073212480.db2.gz GOANKCWGPQMMOI-DVOMOZLQSA-N 1 1 384.436 -0.063 20 0 GBADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C[C@H]2C1 ZINC000427775604 1073212091 /nfs/dbraw/zinc/21/20/91/1073212091.db2.gz GOANKCWGPQMMOI-ZENOOKHLSA-N 1 1 384.436 -0.063 20 0 GBADMO C[C@H]1C[NH+](CCCCNS(=O)(=O)N2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC000427824763 530111380 /nfs/dbraw/zinc/11/13/80/530111380.db2.gz GVRKMWVWVAFMFB-KBPBESRZSA-N 1 1 383.536 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CCS(=O)(=O)NCCS(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427841638 530111624 /nfs/dbraw/zinc/11/16/24/530111624.db2.gz IRNMNGUUNGBBQM-OKILXGFUSA-N 1 1 385.552 -0.266 20 0 GBADMO CCS(=O)(=O)NCCS(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000427841640 530111490 /nfs/dbraw/zinc/11/14/90/530111490.db2.gz IRNMNGUUNGBBQM-ZIAGYGMSSA-N 1 1 385.552 -0.266 20 0 GBADMO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427846969 1073213698 /nfs/dbraw/zinc/21/36/98/1073213698.db2.gz JAZFCHDVZHRVLI-BETUJISGSA-N 1 1 380.470 -0.105 20 0 GBADMO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OCC(N)=O ZINC000427851257 1073214573 /nfs/dbraw/zinc/21/45/73/1073214573.db2.gz RKFHLMDWCNGDDY-TXEJJXNPSA-N 1 1 376.413 -0.482 20 0 GBADMO C[C@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCCNC1=O ZINC000427861653 1073215033 /nfs/dbraw/zinc/21/50/33/1073215033.db2.gz DMTDINFKQHUNTN-FQEVSTJZSA-N 1 1 394.516 -0.020 20 0 GBADMO C[C@@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCCNC1=O 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WGKWENJAWFVUJI-UHFFFAOYSA-N 1 1 386.499 -0.176 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000428021545 1073220958 /nfs/dbraw/zinc/22/09/58/1073220958.db2.gz JCYSHFFLTRPPPO-KRWDZBQOSA-N 1 1 380.489 -0.173 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000428021547 1073220716 /nfs/dbraw/zinc/22/07/16/1073220716.db2.gz JCYSHFFLTRPPPO-QGZVFWFLSA-N 1 1 380.489 -0.173 20 0 GBADMO CC[C@@H]1CN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000428066354 1073222237 /nfs/dbraw/zinc/22/22/37/1073222237.db2.gz JNNHKDFOUZDMRO-MSOLQXFVSA-N 1 1 396.532 -0.073 20 0 GBADMO CC[C@@H]1CN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000428066355 1073221954 /nfs/dbraw/zinc/22/19/54/1073221954.db2.gz JNNHKDFOUZDMRO-QZTJIDSGSA-N 1 1 396.532 -0.073 20 0 GBADMO CC[C@H]1CN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 ZINC000428066356 1073222292 /nfs/dbraw/zinc/22/22/92/1073222292.db2.gz JNNHKDFOUZDMRO-ROUUACIJSA-N 1 1 396.532 -0.073 20 0 GBADMO CC[C@H]1CN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 ZINC000428066357 1073222251 /nfs/dbraw/zinc/22/22/51/1073222251.db2.gz JNNHKDFOUZDMRO-ZWKOTPCHSA-N 1 1 396.532 -0.073 20 0 GBADMO OC[C@H]1C=C[C@@H](Nc2nc(N3CCOCC3)nc(N[C@@H]3C=C[C@H](CO)C3)[nH+]2)C1 ZINC000428128365 1073224763 /nfs/dbraw/zinc/22/47/63/1073224763.db2.gz BFOVZHLVBBGJLJ-CAOSSQGBSA-N 1 1 388.472 -0.750 20 0 GBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)ccc21 ZINC000428141846 1073224903 /nfs/dbraw/zinc/22/49/03/1073224903.db2.gz ZBLKKLFXRUDDOE-AWEZNQCLSA-N 1 1 388.468 -0.150 20 0 GBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)ccc21 ZINC000428141846 1073224896 /nfs/dbraw/zinc/22/48/96/1073224896.db2.gz ZBLKKLFXRUDDOE-AWEZNQCLSA-N 1 1 388.468 -0.150 20 0 GBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)ccc21 ZINC000428141849 1073224575 /nfs/dbraw/zinc/22/45/75/1073224575.db2.gz ZBLKKLFXRUDDOE-CQSZACIVSA-N 1 1 388.468 -0.150 20 0 GBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)ccc21 ZINC000428141849 1073224570 /nfs/dbraw/zinc/22/45/70/1073224570.db2.gz ZBLKKLFXRUDDOE-CQSZACIVSA-N 1 1 388.468 -0.150 20 0 GBADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428150951 1073225461 /nfs/dbraw/zinc/22/54/61/1073225461.db2.gz CHUMYBBCFQRVEM-GFCCVEGCSA-N 1 1 399.459 -0.611 20 0 GBADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428150951 1073225453 /nfs/dbraw/zinc/22/54/53/1073225453.db2.gz CHUMYBBCFQRVEM-GFCCVEGCSA-N 1 1 399.459 -0.611 20 0 GBADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428150952 1073225702 /nfs/dbraw/zinc/22/57/02/1073225702.db2.gz CHUMYBBCFQRVEM-LBPRGKRZSA-N 1 1 399.459 -0.611 20 0 GBADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428150952 1073225700 /nfs/dbraw/zinc/22/57/00/1073225700.db2.gz CHUMYBBCFQRVEM-LBPRGKRZSA-N 1 1 399.459 -0.611 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000428153385 1073225370 /nfs/dbraw/zinc/22/53/70/1073225370.db2.gz LKODZMIUNUVXBC-AWEZNQCLSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000428153385 1073225363 /nfs/dbraw/zinc/22/53/63/1073225363.db2.gz LKODZMIUNUVXBC-AWEZNQCLSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000428153388 1073225664 /nfs/dbraw/zinc/22/56/64/1073225664.db2.gz LKODZMIUNUVXBC-CQSZACIVSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000428153388 1073225660 /nfs/dbraw/zinc/22/56/60/1073225660.db2.gz LKODZMIUNUVXBC-CQSZACIVSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000428159718 1073226357 /nfs/dbraw/zinc/22/63/57/1073226357.db2.gz CFZWEPLARLMIQH-GTPINHCMSA-N 1 1 385.505 -0.151 20 0 GBADMO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000428159718 1073226352 /nfs/dbraw/zinc/22/63/52/1073226352.db2.gz CFZWEPLARLMIQH-GTPINHCMSA-N 1 1 385.505 -0.151 20 0 GBADMO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000428159727 1073226401 /nfs/dbraw/zinc/22/64/01/1073226401.db2.gz CFZWEPLARLMIQH-KLAILNCOSA-N 1 1 385.505 -0.151 20 0 GBADMO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000428159727 1073226395 /nfs/dbraw/zinc/22/63/95/1073226395.db2.gz CFZWEPLARLMIQH-KLAILNCOSA-N 1 1 385.505 -0.151 20 0 GBADMO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc(OC)c1OCC(N)=O ZINC000428161973 1073226132 /nfs/dbraw/zinc/22/61/32/1073226132.db2.gz FUBCZUORAARUDW-GFCCVEGCSA-N 1 1 381.429 -0.294 20 0 GBADMO COc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc(OC)c1OCC(N)=O ZINC000428161973 1073226127 /nfs/dbraw/zinc/22/61/27/1073226127.db2.gz FUBCZUORAARUDW-GFCCVEGCSA-N 1 1 381.429 -0.294 20 0 GBADMO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc(OC)c1OCC(N)=O ZINC000428161976 1073226100 /nfs/dbraw/zinc/22/61/00/1073226100.db2.gz FUBCZUORAARUDW-LBPRGKRZSA-N 1 1 381.429 -0.294 20 0 GBADMO COc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc(OC)c1OCC(N)=O ZINC000428161976 1073226095 /nfs/dbraw/zinc/22/60/95/1073226095.db2.gz FUBCZUORAARUDW-LBPRGKRZSA-N 1 1 381.429 -0.294 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179027 1073226875 /nfs/dbraw/zinc/22/68/75/1073226875.db2.gz DXKGOIHOHYKEIO-CABCVRRESA-N 1 1 386.518 -0.673 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179030 1073226925 /nfs/dbraw/zinc/22/69/25/1073226925.db2.gz DXKGOIHOHYKEIO-GJZGRUSLSA-N 1 1 386.518 -0.673 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179032 1073226883 /nfs/dbraw/zinc/22/68/83/1073226883.db2.gz DXKGOIHOHYKEIO-HUUCEWRRSA-N 1 1 386.518 -0.673 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179036 1073226693 /nfs/dbraw/zinc/22/66/93/1073226693.db2.gz DXKGOIHOHYKEIO-LSDHHAIUSA-N 1 1 386.518 -0.673 20 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COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428284202 1073311104 /nfs/dbraw/zinc/31/11/04/1073311104.db2.gz DISOXUVRVRXYRW-CQSZACIVSA-N 1 1 389.478 -0.496 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000428291080 530375273 /nfs/dbraw/zinc/37/52/73/530375273.db2.gz YQNDLSHKOANVOO-GFCCVEGCSA-N 1 1 375.451 -0.886 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000428291082 530108914 /nfs/dbraw/zinc/10/89/14/530108914.db2.gz YQNDLSHKOANVOO-LBPRGKRZSA-N 1 1 375.451 -0.886 20 0 GBADMO Cn1cc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cn1 ZINC000428393075 1073566457 /nfs/dbraw/zinc/56/64/57/1073566457.db2.gz WMGHGTWTTXXODR-AWEZNQCLSA-N 1 1 391.476 -0.634 20 0 GBADMO Cn1cc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cn1 ZINC000428393081 1073565927 /nfs/dbraw/zinc/56/59/27/1073565927.db2.gz WMGHGTWTTXXODR-CQSZACIVSA-N 1 1 391.476 -0.634 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000428400424 530375214 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385.505 -0.151 20 0 GBADMO C[C@H](O)C[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000428493472 1073654293 /nfs/dbraw/zinc/65/42/93/1073654293.db2.gz HZVJDRUKAMFUEH-NSHDSACASA-N 1 1 376.417 -0.093 20 0 GBADMO Cc1c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000428496894 1073690205 /nfs/dbraw/zinc/69/02/05/1073690205.db2.gz QGDVMNBBJNAPGD-NSHDSACASA-N 1 1 375.429 -0.921 20 0 GBADMO C[C@H](O)CN1CCN(C(=O)C2(C(=O)N3CC[NH+](C[C@H](C)O)CC3)CCC2)CC1 ZINC000428504615 1073784443 /nfs/dbraw/zinc/78/44/43/1073784443.db2.gz VFCXMIQCIYHQQE-IRXDYDNUSA-N 1 1 396.532 -0.793 20 0 GBADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428505606 1073831203 /nfs/dbraw/zinc/83/12/03/1073831203.db2.gz ZWYGZRMEZCHTAF-LBPRGKRZSA-N 1 1 399.459 -0.611 20 0 GBADMO C[C@H](O)CN1CCN(C(=O)CCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428508725 1073840039 /nfs/dbraw/zinc/84/00/39/1073840039.db2.gz GXSACYKVFRVJKF-IRXDYDNUSA-N 1 1 384.521 -0.793 20 0 GBADMO COCC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)OC ZINC000428509863 1073839845 /nfs/dbraw/zinc/83/98/45/1073839845.db2.gz ABQAJRHYIFXYRX-CABCVRRESA-N 1 1 385.461 -0.606 20 0 GBADMO COCC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)OC ZINC000428509869 1073840352 /nfs/dbraw/zinc/84/03/52/1073840352.db2.gz ABQAJRHYIFXYRX-GJZGRUSLSA-N 1 1 385.461 -0.606 20 0 GBADMO COCC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)OC ZINC000428509874 1073839793 /nfs/dbraw/zinc/83/97/93/1073839793.db2.gz ABQAJRHYIFXYRX-HUUCEWRRSA-N 1 1 385.461 -0.606 20 0 GBADMO COCC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)OC ZINC000428509881 1073839996 /nfs/dbraw/zinc/83/99/96/1073839996.db2.gz ABQAJRHYIFXYRX-LSDHHAIUSA-N 1 1 385.461 -0.606 20 0 GBADMO COc1c(F)cc(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(N)(=O)=O ZINC000428510571 1073842180 /nfs/dbraw/zinc/84/21/80/1073842180.db2.gz BOROTIQUTBIFAO-NSHDSACASA-N 1 1 389.449 -0.451 20 0 GBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)ccc21 ZINC000428515155 1073845124 /nfs/dbraw/zinc/84/51/24/1073845124.db2.gz NCHXZALKZJLEEN-AWEZNQCLSA-N 1 1 388.468 -0.150 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000428517378 1073855416 /nfs/dbraw/zinc/85/54/16/1073855416.db2.gz PPFMMKXKMXKHJK-AWEZNQCLSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000428517378 1073855403 /nfs/dbraw/zinc/85/54/03/1073855403.db2.gz PPFMMKXKMXKHJK-AWEZNQCLSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000428517379 1073855463 /nfs/dbraw/zinc/85/54/63/1073855463.db2.gz PPFMMKXKMXKHJK-CQSZACIVSA-N 1 1 385.486 -0.250 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000428517379 1073855453 /nfs/dbraw/zinc/85/54/53/1073855453.db2.gz PPFMMKXKMXKHJK-CQSZACIVSA-N 1 1 385.486 -0.250 20 0 GBADMO C[C@@H]1CN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC[N@H+]1CCO ZINC000428517870 1073850853 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WHSQSOXFRMSHMP-HUUCEWRRSA-N 1 1 376.457 -0.271 20 0 GBADMO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430646509 1072160165 /nfs/dbraw/zinc/16/01/65/1072160165.db2.gz WHSQSOXFRMSHMP-LSDHHAIUSA-N 1 1 376.457 -0.271 20 0 GBADMO COCCCS(=O)(=O)NCCN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647388 530377363 /nfs/dbraw/zinc/37/73/63/530377363.db2.gz PZRUVHWSDZMPBL-HNNXBMFYSA-N 1 1 376.523 -0.914 20 0 GBADMO COCCCS(=O)(=O)NCCN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647390 530377438 /nfs/dbraw/zinc/37/74/38/530377438.db2.gz PZRUVHWSDZMPBL-OAHLLOKOSA-N 1 1 376.523 -0.914 20 0 GBADMO O=C(CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430649865 1072161464 /nfs/dbraw/zinc/16/14/64/1072161464.db2.gz TZVNGTIUVIQUNH-LLVKDONJSA-N 1 1 379.383 -0.482 20 0 GBADMO O=C(CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430649866 1072161275 /nfs/dbraw/zinc/16/12/75/1072161275.db2.gz TZVNGTIUVIQUNH-NSHDSACASA-N 1 1 379.383 -0.482 20 0 GBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430651619 1072163933 /nfs/dbraw/zinc/16/39/33/1072163933.db2.gz WDLOOTASLSSLKZ-BZUAXINKSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430651619 1072163927 /nfs/dbraw/zinc/16/39/27/1072163927.db2.gz WDLOOTASLSSLKZ-BZUAXINKSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651619 1072163913 /nfs/dbraw/zinc/16/39/13/1072163913.db2.gz WDLOOTASLSSLKZ-BZUAXINKSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430651621 1072164390 /nfs/dbraw/zinc/16/43/90/1072164390.db2.gz WDLOOTASLSSLKZ-OAGGEKHMSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430651621 1072164387 /nfs/dbraw/zinc/16/43/87/1072164387.db2.gz WDLOOTASLSSLKZ-OAGGEKHMSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651621 1072164382 /nfs/dbraw/zinc/16/43/82/1072164382.db2.gz WDLOOTASLSSLKZ-OAGGEKHMSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430651624 1072164096 /nfs/dbraw/zinc/16/40/96/1072164096.db2.gz WDLOOTASLSSLKZ-OWCLPIDISA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430651624 1072164093 /nfs/dbraw/zinc/16/40/93/1072164093.db2.gz WDLOOTASLSSLKZ-OWCLPIDISA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651624 1072164088 /nfs/dbraw/zinc/16/40/88/1072164088.db2.gz WDLOOTASLSSLKZ-OWCLPIDISA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430651626 1072163859 /nfs/dbraw/zinc/16/38/59/1072163859.db2.gz WDLOOTASLSSLKZ-PMPSAXMXSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430651626 1072163854 /nfs/dbraw/zinc/16/38/54/1072163854.db2.gz WDLOOTASLSSLKZ-PMPSAXMXSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651626 1072163851 /nfs/dbraw/zinc/16/38/51/1072163851.db2.gz WDLOOTASLSSLKZ-PMPSAXMXSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430652138 1072166871 /nfs/dbraw/zinc/16/68/71/1072166871.db2.gz XETZLORJSVGLFK-GDBMZVCRSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430652138 1072166863 /nfs/dbraw/zinc/16/68/63/1072166863.db2.gz XETZLORJSVGLFK-GDBMZVCRSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430652141 1072166956 /nfs/dbraw/zinc/16/69/56/1072166956.db2.gz XETZLORJSVGLFK-GOEBONIOSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430652141 1072166950 /nfs/dbraw/zinc/16/69/50/1072166950.db2.gz XETZLORJSVGLFK-GOEBONIOSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430652143 1072167214 /nfs/dbraw/zinc/16/72/14/1072167214.db2.gz XETZLORJSVGLFK-HOCLYGCPSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430652143 1072167209 /nfs/dbraw/zinc/16/72/09/1072167209.db2.gz XETZLORJSVGLFK-HOCLYGCPSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430652146 1072167092 /nfs/dbraw/zinc/16/70/92/1072167092.db2.gz XETZLORJSVGLFK-ZBFHGGJFSA-N 1 1 379.505 -0.757 20 0 GBADMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430652146 1072167087 /nfs/dbraw/zinc/16/70/87/1072167087.db2.gz XETZLORJSVGLFK-ZBFHGGJFSA-N 1 1 379.505 -0.757 20 0 GBADMO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1CSC[NH2+]1 ZINC000430719222 530377685 /nfs/dbraw/zinc/37/76/85/530377685.db2.gz ZHDUJYQFIQLSCN-CYBMUJFWSA-N 1 1 385.515 -0.688 20 0 GBADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CN3CCNCC3=O)CC2)CC1 ZINC000430730373 1072212871 /nfs/dbraw/zinc/21/28/71/1072212871.db2.gz AUPSDGTWVJZMSJ-UHFFFAOYSA-N 1 1 379.505 -0.789 20 0 GBADMO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000430738714 1072213154 /nfs/dbraw/zinc/21/31/54/1072213154.db2.gz GAFCVOLWGQYNEL-GOSISDBHSA-N 1 1 376.457 -0.302 20 0 GBADMO COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000430738715 1072213208 /nfs/dbraw/zinc/21/32/08/1072213208.db2.gz GAFCVOLWGQYNEL-SFHVURJKSA-N 1 1 376.457 -0.302 20 0 GBADMO COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430770084 1072214235 /nfs/dbraw/zinc/21/42/35/1072214235.db2.gz NLBOSMCBFOMOEX-KBXCAEBGSA-N 1 1 376.457 -0.256 20 0 GBADMO COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430770085 1072214303 /nfs/dbraw/zinc/21/43/03/1072214303.db2.gz NLBOSMCBFOMOEX-KDOFPFPSSA-N 1 1 376.457 -0.256 20 0 GBADMO COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430770086 1072213802 /nfs/dbraw/zinc/21/38/02/1072213802.db2.gz NLBOSMCBFOMOEX-KSSFIOAISA-N 1 1 376.457 -0.256 20 0 GBADMO COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430770087 1072213788 /nfs/dbraw/zinc/21/37/88/1072213788.db2.gz NLBOSMCBFOMOEX-RDTXWAMCSA-N 1 1 376.457 -0.256 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000430792064 1072214843 /nfs/dbraw/zinc/21/48/43/1072214843.db2.gz PZEBCTAMRGARQG-CHWSQXEVSA-N 1 1 390.431 -0.115 20 0 GBADMO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000430842708 1072216976 /nfs/dbraw/zinc/21/69/76/1072216976.db2.gz CARSYGSIMBBLFB-GOSISDBHSA-N 1 1 376.457 -0.302 20 0 GBADMO COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000430842709 1072217213 /nfs/dbraw/zinc/21/72/13/1072217213.db2.gz CARSYGSIMBBLFB-SFHVURJKSA-N 1 1 376.457 -0.302 20 0 GBADMO [NH3+]Cc1nc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cs1 ZINC000430870515 1072219231 /nfs/dbraw/zinc/21/92/31/1072219231.db2.gz USEQXCAATCLWLR-UHFFFAOYSA-N 1 1 375.458 -0.140 20 0 GBADMO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430873242 1072219198 /nfs/dbraw/zinc/21/91/98/1072219198.db2.gz QOAFJUAHWKRSEH-INIZCTEOSA-N 1 1 377.493 -0.125 20 0 GBADMO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430873243 1072218888 /nfs/dbraw/zinc/21/88/88/1072218888.db2.gz QOAFJUAHWKRSEH-MRXNPFEDSA-N 1 1 377.493 -0.125 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CN3CCNCC3=O)c2)C1 ZINC000430881740 1072219646 /nfs/dbraw/zinc/21/96/46/1072219646.db2.gz DXYAIKNAHLRDIZ-KRWDZBQOSA-N 1 1 387.484 -0.568 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CN3CCNCC3=O)c2)C1 ZINC000430881741 1072219903 /nfs/dbraw/zinc/21/99/03/1072219903.db2.gz DXYAIKNAHLRDIZ-QGZVFWFLSA-N 1 1 387.484 -0.568 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000430957411 1072224228 /nfs/dbraw/zinc/22/42/28/1072224228.db2.gz SCVYIBZZUHPNMC-AWEZNQCLSA-N 1 1 395.485 -0.908 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000430957412 1072224029 /nfs/dbraw/zinc/22/40/29/1072224029.db2.gz SCVYIBZZUHPNMC-CQSZACIVSA-N 1 1 395.485 -0.908 20 0 GBADMO CN(C)c1noc(CCC(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000430989508 1072231967 /nfs/dbraw/zinc/23/19/67/1072231967.db2.gz PKGRYHJZNLOXLV-UHFFFAOYSA-N 1 1 390.448 -0.323 20 0 GBADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)CN3CCNCC3=O)C2)cc(OC)c1 ZINC000431005638 1072233246 /nfs/dbraw/zinc/23/32/46/1072233246.db2.gz WCBQDCZGDKAVIU-HNNXBMFYSA-N 1 1 376.457 -0.174 20 0 GBADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CCNCC3=O)C2)cc(OC)c1 ZINC000431005638 1072233236 /nfs/dbraw/zinc/23/32/36/1072233236.db2.gz WCBQDCZGDKAVIU-HNNXBMFYSA-N 1 1 376.457 -0.174 20 0 GBADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CCNCC3=O)C2)cc(OC)c1 ZINC000431005640 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GBADMO CN(C[C@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)CCO1)c1nccn(C)c1=O ZINC000432798507 1073747800 /nfs/dbraw/zinc/74/78/00/1073747800.db2.gz PWAKQGMTCZYVIN-STQMWFEESA-N 1 1 394.394 -0.143 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000432805687 1073753737 /nfs/dbraw/zinc/75/37/37/1073753737.db2.gz QBRYLFHTCDSUKM-UHFFFAOYSA-N 1 1 398.489 -0.336 20 0 GBADMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432817038 1073765771 /nfs/dbraw/zinc/76/57/71/1073765771.db2.gz AQPNHUKGXLUCFL-LLVKDONJSA-N 1 1 381.351 -0.781 20 0 GBADMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432817039 1073765861 /nfs/dbraw/zinc/76/58/61/1073765861.db2.gz AQPNHUKGXLUCFL-NSHDSACASA-N 1 1 381.351 -0.781 20 0 GBADMO Cc1nc(NCCN2CCCOCC2)nc(NCC[N@H+]2CCCOCC2)n1 ZINC000432819176 1073767875 /nfs/dbraw/zinc/76/78/75/1073767875.db2.gz NYRQFXKSFUPIQZ-UHFFFAOYSA-N 1 1 379.509 -0.708 20 0 GBADMO Cc1nc(NCCN2CCCOCC2)nc(NCC[N@@H+]2CCCOCC2)n1 ZINC000432819176 1073767867 /nfs/dbraw/zinc/76/78/67/1073767867.db2.gz NYRQFXKSFUPIQZ-UHFFFAOYSA-N 1 1 379.509 -0.708 20 0 GBADMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432829360 1073774977 /nfs/dbraw/zinc/77/49/77/1073774977.db2.gz AHDAURXQWWTFJE-KBPBESRZSA-N 1 1 383.411 -0.209 20 0 GBADMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432829362 1073774933 /nfs/dbraw/zinc/77/49/33/1073774933.db2.gz AHDAURXQWWTFJE-KGLIPLIRSA-N 1 1 383.411 -0.209 20 0 GBADMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432829364 1073775079 /nfs/dbraw/zinc/77/50/79/1073775079.db2.gz AHDAURXQWWTFJE-UONOGXRCSA-N 1 1 383.411 -0.209 20 0 GBADMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432829365 1073774797 /nfs/dbraw/zinc/77/47/97/1073774797.db2.gz AHDAURXQWWTFJE-ZIAGYGMSSA-N 1 1 383.411 -0.209 20 0 GBADMO Cc1nc(N2CCN(C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000432831530 1073778351 /nfs/dbraw/zinc/77/83/51/1073778351.db2.gz KGWKOLFRTKOCJU-HUUCEWRRSA-N 1 1 379.509 -0.814 20 0 GBADMO Cc1nc(N2CCN(C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000432835938 1073781856 /nfs/dbraw/zinc/78/18/56/1073781856.db2.gz KGWKOLFRTKOCJU-GJZGRUSLSA-N 1 1 379.509 -0.814 20 0 GBADMO Cc1nc(N2CCN(CCO)[C@@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000432847083 1073787152 /nfs/dbraw/zinc/78/71/52/1073787152.db2.gz RKZZWRTUFDGTLV-GJZGRUSLSA-N 1 1 379.509 -0.814 20 0 GBADMO Cc1nc(N2CCN(CCO)[C@@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000432847083 1073787147 /nfs/dbraw/zinc/78/71/47/1073787147.db2.gz RKZZWRTUFDGTLV-GJZGRUSLSA-N 1 1 379.509 -0.814 20 0 GBADMO Cc1nc(N2CCN(CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000432847084 1073787444 /nfs/dbraw/zinc/78/74/44/1073787444.db2.gz RKZZWRTUFDGTLV-HUUCEWRRSA-N 1 1 379.509 -0.814 20 0 GBADMO Cc1nc(N2CCN(CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000432847084 1073787440 /nfs/dbraw/zinc/78/74/40/1073787440.db2.gz RKZZWRTUFDGTLV-HUUCEWRRSA-N 1 1 379.509 -0.814 20 0 GBADMO OC1CC(CCNc2nc(NCCC3CC(O)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000432859062 1073801390 /nfs/dbraw/zinc/80/13/90/1073801390.db2.gz MBRSJIDOGKUKLY-UHFFFAOYSA-N 1 1 392.504 -0.302 20 0 GBADMO OC1CC(CCNc2nc(NCCC3CC(O)C3)nc(N3CCOCC3)n2)C1 ZINC000432859062 1073801376 /nfs/dbraw/zinc/80/13/76/1073801376.db2.gz MBRSJIDOGKUKLY-UHFFFAOYSA-N 1 1 392.504 -0.302 20 0 GBADMO COCCNc1nc(N[C@@H]2CCOC[C@@H]2C)[nH+]c(N[C@@H]2CCOC[C@@H]2C)n1 ZINC000432861903 1073802883 /nfs/dbraw/zinc/80/28/83/1073802883.db2.gz XUZJFMGHMIFDLU-BYNSBNAKSA-N 1 1 380.493 -0.131 20 0 GBADMO COCCCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000432903290 1073839268 /nfs/dbraw/zinc/83/92/68/1073839268.db2.gz VDZWULLQTFNKKE-GOSISDBHSA-N 1 1 399.513 -0.305 20 0 GBADMO COCCCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000432903292 1073839323 /nfs/dbraw/zinc/83/93/23/1073839323.db2.gz VDZWULLQTFNKKE-SFHVURJKSA-N 1 1 399.513 -0.305 20 0 GBADMO CNc1nc(N[C@@H]2CC[C@H](C(=O)OC)C2)[nH+]c(N[C@@H]2CC[C@H](C(=O)OC)C2)n1 ZINC000432943682 1073848808 /nfs/dbraw/zinc/84/88/08/1073848808.db2.gz JBIZYDMZWFWQIU-WUHRBBMRSA-N 1 1 392.460 -0.314 20 0 GBADMO O=C(CC[NH+]1CCN(CC(=O)NC2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000433012221 1073865786 /nfs/dbraw/zinc/86/57/86/1073865786.db2.gz RRFQSMJWCQJVND-UHFFFAOYSA-N 1 1 379.383 -0.339 20 0 GBADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000433047158 530379994 /nfs/dbraw/zinc/37/99/94/530379994.db2.gz JTNWJGAHRMYGCJ-CYBMUJFWSA-N 1 1 391.515 -0.074 20 0 GBADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000433047160 530379862 /nfs/dbraw/zinc/37/98/62/530379862.db2.gz JTNWJGAHRMYGCJ-ZDUSSCGKSA-N 1 1 391.515 -0.074 20 0 GBADMO CC(=O)N1CCN(C(=O)C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000433052160 1073870124 /nfs/dbraw/zinc/87/01/24/1073870124.db2.gz KFUOWLFIHKFNDX-UHFFFAOYSA-N 1 1 398.485 -0.665 20 0 GBADMO CC(=O)N1CCN(C(=O)C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000433052160 1073870110 /nfs/dbraw/zinc/87/01/10/1073870110.db2.gz KFUOWLFIHKFNDX-UHFFFAOYSA-N 1 1 398.485 -0.665 20 0 GBADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062207 530380061 /nfs/dbraw/zinc/38/00/61/530380061.db2.gz SGSWCFQBCARWFB-UHFFFAOYSA-N 1 1 379.504 -0.074 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000433073553 1073872663 /nfs/dbraw/zinc/87/26/63/1073872663.db2.gz SNXSTRDEJMGFGE-GOSISDBHSA-N 1 1 376.501 -0.246 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000433073554 1073872531 /nfs/dbraw/zinc/87/25/31/1073872531.db2.gz SNXSTRDEJMGFGE-SFHVURJKSA-N 1 1 376.501 -0.246 20 0 GBADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000433075363 1073873089 /nfs/dbraw/zinc/87/30/89/1073873089.db2.gz HAOARIVVTAOFJY-CYBMUJFWSA-N 1 1 398.485 -0.632 20 0 GBADMO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000433075363 1073873077 /nfs/dbraw/zinc/87/30/77/1073873077.db2.gz HAOARIVVTAOFJY-CYBMUJFWSA-N 1 1 398.485 -0.632 20 0 GBADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000433075364 1073872497 /nfs/dbraw/zinc/87/24/97/1073872497.db2.gz HAOARIVVTAOFJY-ZDUSSCGKSA-N 1 1 398.485 -0.632 20 0 GBADMO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000433075364 1073872488 /nfs/dbraw/zinc/87/24/88/1073872488.db2.gz HAOARIVVTAOFJY-ZDUSSCGKSA-N 1 1 398.485 -0.632 20 0 GBADMO COCn1nc(C)c(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000433087149 1073874561 /nfs/dbraw/zinc/87/45/61/1073874561.db2.gz HRDIFNUNVCXSRA-AWEZNQCLSA-N 1 1 387.506 -0.030 20 0 GBADMO COCn1nc(C)c(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000433087151 1073874697 /nfs/dbraw/zinc/87/46/97/1073874697.db2.gz HRDIFNUNVCXSRA-CQSZACIVSA-N 1 1 387.506 -0.030 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000433129337 1073880229 /nfs/dbraw/zinc/88/02/29/1073880229.db2.gz DCZITLSCGCZBFW-UHFFFAOYSA-N 1 1 379.505 -0.517 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000433131514 530356132 /nfs/dbraw/zinc/35/61/32/530356132.db2.gz AAMOXQTXTAPTFJ-UHFFFAOYSA-N 1 1 378.564 -0.316 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000433143833 1073885217 /nfs/dbraw/zinc/88/52/17/1073885217.db2.gz JMRKYCIUNUFNAP-INIZCTEOSA-N 1 1 390.550 -0.206 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000433143834 1073885090 /nfs/dbraw/zinc/88/50/90/1073885090.db2.gz JMRKYCIUNUFNAP-MRXNPFEDSA-N 1 1 390.550 -0.206 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000433148014 1073883933 /nfs/dbraw/zinc/88/39/33/1073883933.db2.gz PUXJPGMQWUSEMC-KRWDZBQOSA-N 1 1 381.521 -0.761 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000433148015 1073883663 /nfs/dbraw/zinc/88/36/63/1073883663.db2.gz PUXJPGMQWUSEMC-QGZVFWFLSA-N 1 1 381.521 -0.761 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000433150666 1073885116 /nfs/dbraw/zinc/88/51/16/1073885116.db2.gz MFIOSMLSDZMKGY-UHFFFAOYSA-N 1 1 381.521 -0.807 20 0 GBADMO Cc1cc(NC(=O)CN2CCN(C(=O)CCCN3CCC([NH3+])CC3)CC2)no1 ZINC000433166059 1073888197 /nfs/dbraw/zinc/88/81/97/1073888197.db2.gz JLCGVEMSZRZRFP-UHFFFAOYSA-N 1 1 392.504 0.269 20 0 GBADMO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433171819 1073888263 /nfs/dbraw/zinc/88/82/63/1073888263.db2.gz BJGXPAPAHXNOGE-KRWDZBQOSA-N 1 1 395.548 -0.419 20 0 GBADMO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433171820 1073888119 /nfs/dbraw/zinc/88/81/19/1073888119.db2.gz BJGXPAPAHXNOGE-QGZVFWFLSA-N 1 1 395.548 -0.419 20 0 GBADMO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000433175258 1073890030 /nfs/dbraw/zinc/89/00/30/1073890030.db2.gz PLORFYIMGRAKGV-INIZCTEOSA-N 1 1 386.537 -0.237 20 0 GBADMO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000433175258 1073890016 /nfs/dbraw/zinc/89/00/16/1073890016.db2.gz PLORFYIMGRAKGV-INIZCTEOSA-N 1 1 386.537 -0.237 20 0 GBADMO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000433175406 1073890468 /nfs/dbraw/zinc/89/04/68/1073890468.db2.gz PLORFYIMGRAKGV-MRXNPFEDSA-N 1 1 386.537 -0.237 20 0 GBADMO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000433175406 1073890459 /nfs/dbraw/zinc/89/04/59/1073890459.db2.gz PLORFYIMGRAKGV-MRXNPFEDSA-N 1 1 386.537 -0.237 20 0 GBADMO [NH3+]C1CCN(CCCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000433176373 1073889877 /nfs/dbraw/zinc/88/98/77/1073889877.db2.gz OPXRRBMBUJPSMN-UHFFFAOYSA-N 1 1 381.521 -0.807 20 0 GBADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433176695 1073890045 /nfs/dbraw/zinc/89/00/45/1073890045.db2.gz OZTAIUGRXUMBPL-KRWDZBQOSA-N 1 1 397.564 -0.125 20 0 GBADMO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433176696 1073890196 /nfs/dbraw/zinc/89/01/96/1073890196.db2.gz OZTAIUGRXUMBPL-QGZVFWFLSA-N 1 1 397.564 -0.125 20 0 GBADMO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433190814 530380334 /nfs/dbraw/zinc/38/03/34/530380334.db2.gz RZLFWBCGXYTTJL-CHWSQXEVSA-N 1 1 376.523 -0.346 20 0 GBADMO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433190815 530380607 /nfs/dbraw/zinc/38/06/07/530380607.db2.gz RZLFWBCGXYTTJL-OLZOCXBDSA-N 1 1 376.523 -0.346 20 0 GBADMO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000433190816 530380405 /nfs/dbraw/zinc/38/04/05/530380405.db2.gz RZLFWBCGXYTTJL-QWHCGFSZSA-N 1 1 376.523 -0.346 20 0 GBADMO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000433190817 530380358 /nfs/dbraw/zinc/38/03/58/530380358.db2.gz RZLFWBCGXYTTJL-STQMWFEESA-N 1 1 376.523 -0.346 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000433210520 1073895669 /nfs/dbraw/zinc/89/56/69/1073895669.db2.gz WRLNEUYELXJUMN-MAUKXSAKSA-N 1 1 399.513 -0.139 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000433210521 1073895757 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CC(=O)N1CCN(C(=O)CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433401064 1073910951 /nfs/dbraw/zinc/91/09/51/1073910951.db2.gz QUILWRRCIHDOIX-MRXNPFEDSA-N 1 1 397.520 -0.133 20 0 GBADMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCO1 ZINC000433446273 1073915808 /nfs/dbraw/zinc/91/58/08/1073915808.db2.gz FBJUDGUQWLLJQY-HNNXBMFYSA-N 1 1 394.480 -0.972 20 0 GBADMO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCO1 ZINC000433446274 1073915824 /nfs/dbraw/zinc/91/58/24/1073915824.db2.gz FBJUDGUQWLLJQY-OAHLLOKOSA-N 1 1 394.480 -0.972 20 0 GBADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433446629 1073916195 /nfs/dbraw/zinc/91/61/95/1073916195.db2.gz HOFCIEIOBOOYOW-INIZCTEOSA-N 1 1 397.520 -0.134 20 0 GBADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433446630 1073915893 /nfs/dbraw/zinc/91/58/93/1073915893.db2.gz HOFCIEIOBOOYOW-MRXNPFEDSA-N 1 1 397.520 -0.134 20 0 GBADMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCO1 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CQYIMCWUVATTLR-CQSZACIVSA-N 1 1 379.527 -0.381 20 0 GBADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCO1 ZINC000433647509 1073958340 /nfs/dbraw/zinc/95/83/40/1073958340.db2.gz DUOAYUFXGSVFFG-CYBMUJFWSA-N 1 1 398.485 -0.110 20 0 GBADMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCO1 ZINC000433647510 1073958076 /nfs/dbraw/zinc/95/80/76/1073958076.db2.gz DUOAYUFXGSVFFG-ZDUSSCGKSA-N 1 1 398.485 -0.110 20 0 GBADMO COc1ncc(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1C(N)=O ZINC000433650473 1073957565 /nfs/dbraw/zinc/95/75/65/1073957565.db2.gz RZMZRHMHGVDLHC-GFCCVEGCSA-N 1 1 393.444 -0.255 20 0 GBADMO COc1ncc(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1C(N)=O ZINC000433650474 1073958535 /nfs/dbraw/zinc/95/85/35/1073958535.db2.gz RZMZRHMHGVDLHC-LBPRGKRZSA-N 1 1 393.444 -0.255 20 0 GBADMO Cn1cc(-c2ccc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)nn2)cn1 ZINC000433685025 1073960896 /nfs/dbraw/zinc/96/08/96/1073960896.db2.gz LSVOBLZEIGKKTG-KRWDZBQOSA-N 1 1 375.433 0.082 20 0 GBADMO Cn1cc(-c2ccc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)nn2)cn1 ZINC000433685027 1073960733 /nfs/dbraw/zinc/96/07/33/1073960733.db2.gz LSVOBLZEIGKKTG-QGZVFWFLSA-N 1 1 375.433 0.082 20 0 GBADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000433693015 1073961973 /nfs/dbraw/zinc/96/19/73/1073961973.db2.gz HANUHLZXXNSWFY-HKUYNNGSSA-N 1 1 395.525 -0.142 20 0 GBADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000433693016 1073961725 /nfs/dbraw/zinc/96/17/25/1073961725.db2.gz HANUHLZXXNSWFY-IEBWSBKVSA-N 1 1 395.525 -0.142 20 0 GBADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000433693017 1073961836 /nfs/dbraw/zinc/96/18/36/1073961836.db2.gz HANUHLZXXNSWFY-MJGOQNOKSA-N 1 1 395.525 -0.142 20 0 GBADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000433693018 1073961985 /nfs/dbraw/zinc/96/19/85/1073961985.db2.gz HANUHLZXXNSWFY-PKOBYXMFSA-N 1 1 395.525 -0.142 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1(N2CCOCC2)CC1 ZINC000433743421 1073963710 /nfs/dbraw/zinc/96/37/10/1073963710.db2.gz AZEAEQLLPDYYCD-KRWDZBQOSA-N 1 1 394.516 -0.319 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC1(N2CCOCC2)CC1 ZINC000433743422 1073963332 /nfs/dbraw/zinc/96/33/32/1073963332.db2.gz AZEAEQLLPDYYCD-QGZVFWFLSA-N 1 1 394.516 -0.319 20 0 GBADMO COCCNc1nc(NC[C@@H]2CCCOC2)nc(NC[C@@H]2CCCOC2)[nH+]1 ZINC000433798297 1073968820 /nfs/dbraw/zinc/96/88/20/1073968820.db2.gz GCIBBFCDLLTEAU-GJZGRUSLSA-N 1 1 380.493 -0.127 20 0 GBADMO COCCNc1nc(NC[C@H]2CCCOC2)nc(NC[C@H]2CCCOC2)[nH+]1 ZINC000433798298 1073968913 /nfs/dbraw/zinc/96/89/13/1073968913.db2.gz GCIBBFCDLLTEAU-HUUCEWRRSA-N 1 1 380.493 -0.127 20 0 GBADMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000433809769 1073967930 /nfs/dbraw/zinc/96/79/30/1073967930.db2.gz BENJJSARRFIMEM-KBPBESRZSA-N 1 1 389.522 -0.562 20 0 GBADMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000433809773 1073967657 /nfs/dbraw/zinc/96/76/57/1073967657.db2.gz BENJJSARRFIMEM-KGLIPLIRSA-N 1 1 389.522 -0.562 20 0 GBADMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000433809774 1073967900 /nfs/dbraw/zinc/96/79/00/1073967900.db2.gz BENJJSARRFIMEM-UONOGXRCSA-N 1 1 389.522 -0.562 20 0 GBADMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000433809775 1073967868 /nfs/dbraw/zinc/96/78/68/1073967868.db2.gz BENJJSARRFIMEM-ZIAGYGMSSA-N 1 1 389.522 -0.562 20 0 GBADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433947683 1073655717 /nfs/dbraw/zinc/65/57/17/1073655717.db2.gz ASVCILBQEHSHAL-QKPAOTATSA-N 1 1 391.534 -0.918 20 0 GBADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433947684 1073655819 /nfs/dbraw/zinc/65/58/19/1073655819.db2.gz ASVCILBQEHSHAL-QXSJWSMHSA-N 1 1 391.534 -0.918 20 0 GBADMO O=C(CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000433954291 1073977965 /nfs/dbraw/zinc/97/79/65/1073977965.db2.gz RLIBIGFUOOIGDL-DZGCQCFKSA-N 1 1 386.518 -0.004 20 0 GBADMO O=C(CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000433954292 1073977682 /nfs/dbraw/zinc/97/76/82/1073977682.db2.gz RLIBIGFUOOIGDL-HIFRSBDPSA-N 1 1 386.518 -0.004 20 0 GBADMO O=C(CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000433954293 1073977749 /nfs/dbraw/zinc/97/77/49/1073977749.db2.gz RLIBIGFUOOIGDL-UKRRQHHQSA-N 1 1 386.518 -0.004 20 0 GBADMO O=C(CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000433954294 1073978159 /nfs/dbraw/zinc/97/81/59/1073978159.db2.gz RLIBIGFUOOIGDL-ZFWWWQNUSA-N 1 1 386.518 -0.004 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000433961309 1073978927 /nfs/dbraw/zinc/97/89/27/1073978927.db2.gz SPYSYYLFQHTGFP-GFCCVEGCSA-N 1 1 386.474 -0.187 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000433961311 1073978592 /nfs/dbraw/zinc/97/85/92/1073978592.db2.gz SPYSYYLFQHTGFP-LBPRGKRZSA-N 1 1 386.474 -0.187 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H](O)COCC1CC1 ZINC000433977864 1073979022 /nfs/dbraw/zinc/97/90/22/1073979022.db2.gz XEYYZOKDGKYCHI-DLBZAZTESA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H](O)COCC1CC1 ZINC000433977866 1073978908 /nfs/dbraw/zinc/97/89/08/1073978908.db2.gz XEYYZOKDGKYCHI-IAGOWNOFSA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H](O)COCC1CC1 ZINC000433977868 1073979092 /nfs/dbraw/zinc/97/90/92/1073979092.db2.gz XEYYZOKDGKYCHI-IRXDYDNUSA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H](O)COCC1CC1 ZINC000433977870 1073979176 /nfs/dbraw/zinc/97/91/76/1073979176.db2.gz XEYYZOKDGKYCHI-SJORKVTESA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCC(=O)N1 ZINC000433980437 1073978837 /nfs/dbraw/zinc/97/88/37/1073978837.db2.gz WQCIYPDZQSOSJP-HNNXBMFYSA-N 1 1 375.477 -0.043 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCC(=O)N1 ZINC000433980440 1073979133 /nfs/dbraw/zinc/97/91/33/1073979133.db2.gz WQCIYPDZQSOSJP-OAHLLOKOSA-N 1 1 375.477 -0.043 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101613 530381001 /nfs/dbraw/zinc/38/10/01/530381001.db2.gz JLUFCFAQMACPGD-HNNXBMFYSA-N 1 1 398.595 -0.397 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101614 530380769 /nfs/dbraw/zinc/38/07/69/530380769.db2.gz JLUFCFAQMACPGD-OAHLLOKOSA-N 1 1 398.595 -0.397 20 0 GBADMO CN(CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000434169714 1072364224 /nfs/dbraw/zinc/36/42/24/1072364224.db2.gz LEPWQCKZLOUPBL-QZTJIDSGSA-N 1 1 395.525 -0.359 20 0 GBADMO CN(CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000434169716 1072364361 /nfs/dbraw/zinc/36/43/61/1072364361.db2.gz LEPWQCKZLOUPBL-ZWKOTPCHSA-N 1 1 395.525 -0.359 20 0 GBADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000434169919 1072364406 /nfs/dbraw/zinc/36/44/06/1072364406.db2.gz NBQZUIKTJBCHSH-GOSISDBHSA-N 1 1 376.501 -0.022 20 0 GBADMO C[C@H](CN1CCOCC1)N(C)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000434182623 1072403091 /nfs/dbraw/zinc/40/30/91/1072403091.db2.gz KIXIPQBETHBWNQ-GOSISDBHSA-N 1 1 385.553 -0.261 20 0 GBADMO C[C@@H](CN1CCOCC1)N(C)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000434182624 1072403596 /nfs/dbraw/zinc/40/35/96/1072403596.db2.gz KIXIPQBETHBWNQ-SFHVURJKSA-N 1 1 385.553 -0.261 20 0 GBADMO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(=O)N(C)C ZINC000434250939 1072617146 /nfs/dbraw/zinc/61/71/46/1072617146.db2.gz TZJSFBQDXOWQQT-INIZCTEOSA-N 1 1 383.537 -0.206 20 0 GBADMO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(=O)N(C)C ZINC000434250939 1072617143 /nfs/dbraw/zinc/61/71/43/1072617143.db2.gz TZJSFBQDXOWQQT-INIZCTEOSA-N 1 1 383.537 -0.206 20 0 GBADMO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(=O)N(C)C ZINC000434250940 1072617033 /nfs/dbraw/zinc/61/70/33/1072617033.db2.gz TZJSFBQDXOWQQT-MRXNPFEDSA-N 1 1 383.537 -0.206 20 0 GBADMO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(=O)N(C)C ZINC000434250940 1072617031 /nfs/dbraw/zinc/61/70/31/1072617031.db2.gz TZJSFBQDXOWQQT-MRXNPFEDSA-N 1 1 383.537 -0.206 20 0 GBADMO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(=O)N(C)C ZINC000434251338 1072616822 /nfs/dbraw/zinc/61/68/22/1072616822.db2.gz VRSCTKMESWHXFJ-INIZCTEOSA-N 1 1 383.537 -0.202 20 0 GBADMO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C(=O)N(C)C ZINC000434251338 1072616820 /nfs/dbraw/zinc/61/68/20/1072616820.db2.gz VRSCTKMESWHXFJ-INIZCTEOSA-N 1 1 383.537 -0.202 20 0 GBADMO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C(=O)N(C)C ZINC000434251339 1072616809 /nfs/dbraw/zinc/61/68/09/1072616809.db2.gz VRSCTKMESWHXFJ-MRXNPFEDSA-N 1 1 383.537 -0.202 20 0 GBADMO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C(=O)N(C)C ZINC000434251339 1072616807 /nfs/dbraw/zinc/61/68/07/1072616807.db2.gz VRSCTKMESWHXFJ-MRXNPFEDSA-N 1 1 383.537 -0.202 20 0 GBADMO CC(C)NC(=O)CN1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000434282139 1072616647 /nfs/dbraw/zinc/61/66/47/1072616647.db2.gz URUCTAXAFGUZHO-UHFFFAOYSA-N 1 1 381.399 -0.093 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1=O ZINC000434293881 1072618118 /nfs/dbraw/zinc/61/81/18/1072618118.db2.gz GXCUGNWYWFRWFW-AWEZNQCLSA-N 1 1 384.477 -0.097 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1=O ZINC000434293881 1072618109 /nfs/dbraw/zinc/61/81/09/1072618109.db2.gz GXCUGNWYWFRWFW-AWEZNQCLSA-N 1 1 384.477 -0.097 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1=O ZINC000434293886 1072617860 /nfs/dbraw/zinc/61/78/60/1072617860.db2.gz GXCUGNWYWFRWFW-CQSZACIVSA-N 1 1 384.477 -0.097 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1=O ZINC000434293886 1072617852 /nfs/dbraw/zinc/61/78/52/1072617852.db2.gz GXCUGNWYWFRWFW-CQSZACIVSA-N 1 1 384.477 -0.097 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000434295566 1072618052 /nfs/dbraw/zinc/61/80/52/1072618052.db2.gz LZHYVKNYXAUIAH-QLFBSQMISA-N 1 1 384.477 -0.099 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000434295566 1072618049 /nfs/dbraw/zinc/61/80/49/1072618049.db2.gz LZHYVKNYXAUIAH-QLFBSQMISA-N 1 1 384.477 -0.099 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000434295567 1072617979 /nfs/dbraw/zinc/61/79/79/1072617979.db2.gz LZHYVKNYXAUIAH-ZNMIVQPWSA-N 1 1 384.477 -0.099 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000434295567 1072617972 /nfs/dbraw/zinc/61/79/72/1072617972.db2.gz LZHYVKNYXAUIAH-ZNMIVQPWSA-N 1 1 384.477 -0.099 20 0 GBADMO Cc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc(S(N)(=O)=O)c1C ZINC000434313613 1072617992 /nfs/dbraw/zinc/61/79/92/1072617992.db2.gz AVXNTSZPNQYGBI-KRWDZBQOSA-N 1 1 385.486 -0.236 20 0 GBADMO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc(S(N)(=O)=O)c1C ZINC000434313614 1072618222 /nfs/dbraw/zinc/61/82/22/1072618222.db2.gz AVXNTSZPNQYGBI-QGZVFWFLSA-N 1 1 385.486 -0.236 20 0 GBADMO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434315956 530381172 /nfs/dbraw/zinc/38/11/72/530381172.db2.gz KUYGKZAUGDEIAN-DZGCQCFKSA-N 1 1 397.563 -0.753 20 0 GBADMO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434315957 530381213 /nfs/dbraw/zinc/38/12/13/530381213.db2.gz KUYGKZAUGDEIAN-HIFRSBDPSA-N 1 1 397.563 -0.753 20 0 GBADMO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434315958 530381176 /nfs/dbraw/zinc/38/11/76/530381176.db2.gz KUYGKZAUGDEIAN-UKRRQHHQSA-N 1 1 397.563 -0.753 20 0 GBADMO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434315959 530381242 /nfs/dbraw/zinc/38/12/42/530381242.db2.gz KUYGKZAUGDEIAN-ZFWWWQNUSA-N 1 1 397.563 -0.753 20 0 GBADMO Cc1ccc(CNC(=O)NCC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000434317054 1072617712 /nfs/dbraw/zinc/61/77/12/1072617712.db2.gz JXGFIZATHOUYAA-IBGZPJMESA-N 1 1 378.473 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ZINC000434322422 1072618155 /nfs/dbraw/zinc/61/81/55/1072618155.db2.gz VCVIMSBUJSZTKF-AZUAARDMSA-N 1 1 393.484 -0.058 20 0 GBADMO COc1cccc(C[C@H](NC(C)=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000434322423 1072618200 /nfs/dbraw/zinc/61/82/00/1072618200.db2.gz VCVIMSBUJSZTKF-ICSRJNTNSA-N 1 1 393.484 -0.058 20 0 GBADMO COc1cccc(C[C@@H](NC(C)=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000434322424 1072618061 /nfs/dbraw/zinc/61/80/61/1072618061.db2.gz VCVIMSBUJSZTKF-QUCCMNQESA-N 1 1 393.484 -0.058 20 0 GBADMO COc1cccc(C[C@@H](NC(C)=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000434322425 1072617727 /nfs/dbraw/zinc/61/77/27/1072617727.db2.gz VCVIMSBUJSZTKF-UYAOXDASSA-N 1 1 393.484 -0.058 20 0 GBADMO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434322493 1072617652 /nfs/dbraw/zinc/61/76/52/1072617652.db2.gz VZVJUXSOEZAXRL-DOTOQJQBSA-N 1 1 391.534 -0.220 20 0 GBADMO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434322494 1072619338 /nfs/dbraw/zinc/61/93/38/1072619338.db2.gz VZVJUXSOEZAXRL-NVXWUHKLSA-N 1 1 391.534 -0.220 20 0 GBADMO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434322495 1072619426 /nfs/dbraw/zinc/61/94/26/1072619426.db2.gz VZVJUXSOEZAXRL-RDJZCZTQSA-N 1 1 391.534 -0.220 20 0 GBADMO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434322496 1072619220 /nfs/dbraw/zinc/61/92/20/1072619220.db2.gz VZVJUXSOEZAXRL-WBVHZDCISA-N 1 1 391.534 -0.220 20 0 GBADMO C[C@](O)(CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C[NH+]1CCOCC1 ZINC000434323551 1072619411 /nfs/dbraw/zinc/61/94/11/1072619411.db2.gz JXYFTIBTTIJFQL-IBGZPJMESA-N 1 1 390.440 -0.449 20 0 GBADMO C[C@@](O)(CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C[NH+]1CCOCC1 ZINC000434323552 1072619500 /nfs/dbraw/zinc/61/95/00/1072619500.db2.gz JXYFTIBTTIJFQL-LJQANCHMSA-N 1 1 390.440 -0.449 20 0 GBADMO C[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434323651 1072618945 /nfs/dbraw/zinc/61/89/45/1072618945.db2.gz LESOSUPEEVEJGA-BEFAXECRSA-N 1 1 379.457 -0.231 20 0 GBADMO C[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434323652 1072619554 /nfs/dbraw/zinc/61/95/54/1072619554.db2.gz LESOSUPEEVEJGA-DNVCBOLYSA-N 1 1 379.457 -0.231 20 0 GBADMO C[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434323653 1072619252 /nfs/dbraw/zinc/61/92/52/1072619252.db2.gz LESOSUPEEVEJGA-HNAYVOBHSA-N 1 1 379.457 -0.231 20 0 GBADMO C[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434323654 1072619366 /nfs/dbraw/zinc/61/93/66/1072619366.db2.gz LESOSUPEEVEJGA-KXBFYZLASA-N 1 1 379.457 -0.231 20 0 GBADMO C[C@](O)(CNC(=O)CCC(=O)Nc1nnc(C2CC2)o1)C[NH+]1CCOCC1 ZINC000434326157 1072619384 /nfs/dbraw/zinc/61/93/84/1072619384.db2.gz MBVOGBZFUWLNRR-KRWDZBQOSA-N 1 1 381.433 -0.135 20 0 GBADMO C[C@@](O)(CNC(=O)CCC(=O)Nc1nnc(C2CC2)o1)C[NH+]1CCOCC1 ZINC000434326161 1072619241 /nfs/dbraw/zinc/61/92/41/1072619241.db2.gz MBVOGBZFUWLNRR-QGZVFWFLSA-N 1 1 381.433 -0.135 20 0 GBADMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000434326673 1072619160 /nfs/dbraw/zinc/61/91/60/1072619160.db2.gz NONOGJLLXWPUIZ-INIZCTEOSA-N 1 1 388.490 -0.486 20 0 GBADMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000434326676 1072619267 /nfs/dbraw/zinc/61/92/67/1072619267.db2.gz NONOGJLLXWPUIZ-MRXNPFEDSA-N 1 1 388.490 -0.486 20 0 GBADMO C[C@@](O)(CNC(=O)CNC(=O)NCc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000434326926 1072619139 /nfs/dbraw/zinc/61/91/39/1072619139.db2.gz UKIJDZVOGOYAGP-GOSISDBHSA-N 1 1 382.436 -0.176 20 0 GBADMO C[C@](O)(CNC(=O)CNC(=O)NCc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000434326928 1072619286 /nfs/dbraw/zinc/61/92/86/1072619286.db2.gz UKIJDZVOGOYAGP-SFHVURJKSA-N 1 1 382.436 -0.176 20 0 GBADMO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434327971 1072619420 /nfs/dbraw/zinc/61/94/20/1072619420.db2.gz XHTCAFWUZZTEQK-HKUYNNGSSA-N 1 1 388.472 -0.035 20 0 GBADMO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434327974 1072619394 /nfs/dbraw/zinc/61/93/94/1072619394.db2.gz XHTCAFWUZZTEQK-IEBWSBKVSA-N 1 1 388.472 -0.035 20 0 GBADMO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434327976 1072619461 /nfs/dbraw/zinc/61/94/61/1072619461.db2.gz XHTCAFWUZZTEQK-MJGOQNOKSA-N 1 1 388.472 -0.035 20 0 GBADMO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434327977 1072619011 /nfs/dbraw/zinc/61/90/11/1072619011.db2.gz XHTCAFWUZZTEQK-PKOBYXMFSA-N 1 1 388.472 -0.035 20 0 GBADMO C[C@@](O)(CNC(=O)CSc1nnnn1CC(F)(F)F)C[NH+]1CCOCC1 ZINC000434328696 1072619473 /nfs/dbraw/zinc/61/94/73/1072619473.db2.gz VUCFCDSRULBIEY-GFCCVEGCSA-N 1 1 398.411 -0.473 20 0 GBADMO C[C@](O)(CNC(=O)CSc1nnnn1CC(F)(F)F)C[NH+]1CCOCC1 ZINC000434328697 1072619441 /nfs/dbraw/zinc/61/94/41/1072619441.db2.gz VUCFCDSRULBIEY-LBPRGKRZSA-N 1 1 398.411 -0.473 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H](O)C1CCOCC1 ZINC000434373699 1072620865 /nfs/dbraw/zinc/62/08/65/1072620865.db2.gz MSQSSRASJLUHCI-DLBZAZTESA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H](O)C1CCOCC1 ZINC000434373700 1072621171 /nfs/dbraw/zinc/62/11/71/1072621171.db2.gz MSQSSRASJLUHCI-IAGOWNOFSA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H](O)C1CCOCC1 ZINC000434373701 1072621142 /nfs/dbraw/zinc/62/11/42/1072621142.db2.gz MSQSSRASJLUHCI-IRXDYDNUSA-N 1 1 383.489 -0.397 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H](O)C1CCOCC1 ZINC000434373702 1072620803 /nfs/dbraw/zinc/62/08/03/1072620803.db2.gz MSQSSRASJLUHCI-SJORKVTESA-N 1 1 383.489 -0.397 20 0 GBADMO CC(C)NS(=O)(=O)NCCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434414259 530381542 /nfs/dbraw/zinc/38/15/42/530381542.db2.gz CJQHKORQVHJZGZ-OKILXGFUSA-N 1 1 379.527 -0.431 20 0 GBADMO CC(C)NS(=O)(=O)NCCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434414259 530381540 /nfs/dbraw/zinc/38/15/40/530381540.db2.gz CJQHKORQVHJZGZ-OKILXGFUSA-N 1 1 379.527 -0.431 20 0 GBADMO O=C(NCCCCN1CC[NH+](CCO)CC1)NCC1(N2CCOCC2)CC1 ZINC000434427586 1072622124 /nfs/dbraw/zinc/62/21/24/1072622124.db2.gz CMOMZSRHHOWKPZ-UHFFFAOYSA-N 1 1 383.537 -0.460 20 0 GBADMO CC(C)NS(=O)(=O)NCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434428570 530381660 /nfs/dbraw/zinc/38/16/60/530381660.db2.gz LJZSCPMTHLAGGZ-UHFFFAOYSA-N 1 1 379.527 -0.429 20 0 GBADMO CC(C)NS(=O)(=O)NCCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434428570 530381658 /nfs/dbraw/zinc/38/16/58/530381658.db2.gz LJZSCPMTHLAGGZ-UHFFFAOYSA-N 1 1 379.527 -0.429 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434438412 1072624217 /nfs/dbraw/zinc/62/42/17/1072624217.db2.gz SCYHWCWDYRDQOA-HNNXBMFYSA-N 1 1 388.534 -0.046 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434438413 1072624063 /nfs/dbraw/zinc/62/40/63/1072624063.db2.gz SCYHWCWDYRDQOA-OAHLLOKOSA-N 1 1 388.534 -0.046 20 0 GBADMO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)o1 ZINC000434447136 1072624302 /nfs/dbraw/zinc/62/43/02/1072624302.db2.gz YGRKBNBRXNNEDB-GFCCVEGCSA-N 1 1 384.458 -0.210 20 0 GBADMO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)o1 ZINC000434447138 1072624271 /nfs/dbraw/zinc/62/42/71/1072624271.db2.gz YGRKBNBRXNNEDB-LBPRGKRZSA-N 1 1 384.458 -0.210 20 0 GBADMO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c[nH]1 ZINC000434447185 1072624235 /nfs/dbraw/zinc/62/42/35/1072624235.db2.gz UCUZNDROAIAJFS-GFCCVEGCSA-N 1 1 383.474 -0.475 20 0 GBADMO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c[nH]1 ZINC000434447192 1072624163 /nfs/dbraw/zinc/62/41/63/1072624163.db2.gz UCUZNDROAIAJFS-LBPRGKRZSA-N 1 1 383.474 -0.475 20 0 GBADMO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000434486540 1072626591 /nfs/dbraw/zinc/62/65/91/1072626591.db2.gz REANQMOSOKSSNK-HNNXBMFYSA-N 1 1 376.417 -0.032 20 0 GBADMO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000434486540 1072626587 /nfs/dbraw/zinc/62/65/87/1072626587.db2.gz REANQMOSOKSSNK-HNNXBMFYSA-N 1 1 376.417 -0.032 20 0 GBADMO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000434486541 1072627043 /nfs/dbraw/zinc/62/70/43/1072627043.db2.gz REANQMOSOKSSNK-OAHLLOKOSA-N 1 1 376.417 -0.032 20 0 GBADMO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000434486541 1072627042 /nfs/dbraw/zinc/62/70/42/1072627042.db2.gz REANQMOSOKSSNK-OAHLLOKOSA-N 1 1 376.417 -0.032 20 0 GBADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000434509599 1072627568 /nfs/dbraw/zinc/62/75/68/1072627568.db2.gz SCSPPYFJAXCPAR-NEPJUHHUSA-N 1 1 384.458 -0.258 20 0 GBADMO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC000434558995 1072629555 /nfs/dbraw/zinc/62/95/55/1072629555.db2.gz XSUOWOXSKZEPDM-AWEZNQCLSA-N 1 1 376.461 0.009 20 0 GBADMO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC000434558998 1072629582 /nfs/dbraw/zinc/62/95/82/1072629582.db2.gz XSUOWOXSKZEPDM-CQSZACIVSA-N 1 1 376.461 0.009 20 0 GBADMO CN1c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2CC1=O ZINC000434573166 1072630225 /nfs/dbraw/zinc/63/02/25/1072630225.db2.gz HTNJYIKILLUJEL-HNNXBMFYSA-N 1 1 387.440 -0.400 20 0 GBADMO CN1c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2CC1=O ZINC000434573169 1072630268 /nfs/dbraw/zinc/63/02/68/1072630268.db2.gz HTNJYIKILLUJEL-OAHLLOKOSA-N 1 1 387.440 -0.400 20 0 GBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC(C)(C)O)n2)c1C ZINC000434575172 1072631690 /nfs/dbraw/zinc/63/16/90/1072631690.db2.gz NHVNJUCBUJHXCF-UHFFFAOYSA-N 1 1 376.417 0.172 20 0 GBADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)C[C@H](C)O1 ZINC000434576043 1072631107 /nfs/dbraw/zinc/63/11/07/1072631107.db2.gz STIAHXPBNDJZFT-AZQPONJRSA-N 1 1 377.441 -0.202 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)C[C@H](C)O1 ZINC000434576043 1072631105 /nfs/dbraw/zinc/63/11/05/1072631105.db2.gz STIAHXPBNDJZFT-AZQPONJRSA-N 1 1 377.441 -0.202 20 0 GBADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)C[C@@H](C)O1 ZINC000434576045 1072632069 /nfs/dbraw/zinc/63/20/69/1072632069.db2.gz STIAHXPBNDJZFT-KFZJALRRSA-N 1 1 377.441 -0.202 20 0 GBADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)C[C@@H](C)O1 ZINC000434576046 1072631894 /nfs/dbraw/zinc/63/18/94/1072631894.db2.gz STIAHXPBNDJZFT-OMNBBPDLSA-N 1 1 377.441 -0.202 20 0 GBADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)C[C@H](C)O1 ZINC000434576048 1072631761 /nfs/dbraw/zinc/63/17/61/1072631761.db2.gz STIAHXPBNDJZFT-RMHZUWNSSA-N 1 1 377.441 -0.202 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)C[C@H](C)O1 ZINC000434576048 1072631752 /nfs/dbraw/zinc/63/17/52/1072631752.db2.gz STIAHXPBNDJZFT-RMHZUWNSSA-N 1 1 377.441 -0.202 20 0 GBADMO CCC[C@@H](O)CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434582482 1072632778 /nfs/dbraw/zinc/63/27/78/1072632778.db2.gz WMHOFWOXEGIDBT-CYBMUJFWSA-N 1 1 390.444 0.563 20 0 GBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)[C@H]3CCOC3)n2)c1C ZINC000434593722 1072633848 /nfs/dbraw/zinc/63/38/48/1072633848.db2.gz DYAXAGQRRAFAMN-ZDUSSCGKSA-N 1 1 388.428 0.533 20 0 GBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC3(O)CCC3)n2)c1C ZINC000434598114 1072633323 /nfs/dbraw/zinc/63/33/23/1072633323.db2.gz OLNUEILQQKOVMH-UHFFFAOYSA-N 1 1 388.428 0.317 20 0 GBADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000434598765 1072633647 /nfs/dbraw/zinc/63/36/47/1072633647.db2.gz VSYCQRNUQBIVMS-UHFFFAOYSA-N 1 1 389.460 0.353 20 0 GBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[C@H](C)O)n2)c1C ZINC000434607664 1072633587 /nfs/dbraw/zinc/63/35/87/1072633587.db2.gz PMBPAPKRMLDOBB-NSHDSACASA-N 1 1 376.417 0.172 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H](OCCO)C1 ZINC000434643032 1072635226 /nfs/dbraw/zinc/63/52/26/1072635226.db2.gz OPYCLOCLYLLCEC-DLBZAZTESA-N 1 1 383.489 -0.300 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000434643033 1072635547 /nfs/dbraw/zinc/63/55/47/1072635547.db2.gz OPYCLOCLYLLCEC-IAGOWNOFSA-N 1 1 383.489 -0.300 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H](OCCO)C1 ZINC000434643034 1072635571 /nfs/dbraw/zinc/63/55/71/1072635571.db2.gz OPYCLOCLYLLCEC-IRXDYDNUSA-N 1 1 383.489 -0.300 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000434643035 1072635501 /nfs/dbraw/zinc/63/55/01/1072635501.db2.gz OPYCLOCLYLLCEC-SJORKVTESA-N 1 1 383.489 -0.300 20 0 GBADMO COCCCNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434651554 1072636236 /nfs/dbraw/zinc/63/62/36/1072636236.db2.gz BLGXTHWRZFZKKW-UHFFFAOYSA-N 1 1 376.417 0.438 20 0 GBADMO Cn1ccnc(NC[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CCO2)c1=O ZINC000434680941 1072638771 /nfs/dbraw/zinc/63/87/71/1072638771.db2.gz LVKRXVVKMGNZRL-KRWDZBQOSA-N 1 1 385.468 0.552 20 0 GBADMO Cn1ccnc(NC[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CCO2)c1=O ZINC000434680941 1072638764 /nfs/dbraw/zinc/63/87/64/1072638764.db2.gz LVKRXVVKMGNZRL-KRWDZBQOSA-N 1 1 385.468 0.552 20 0 GBADMO Cn1ccnc(NC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CCO2)c1=O ZINC000434680942 1072638653 /nfs/dbraw/zinc/63/86/53/1072638653.db2.gz LVKRXVVKMGNZRL-QGZVFWFLSA-N 1 1 385.468 0.552 20 0 GBADMO Cn1ccnc(NC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CCO2)c1=O ZINC000434680942 1072638648 /nfs/dbraw/zinc/63/86/48/1072638648.db2.gz LVKRXVVKMGNZRL-QGZVFWFLSA-N 1 1 385.468 0.552 20 0 GBADMO C[C@@H]1CN(CC[N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000434691704 530381532 /nfs/dbraw/zinc/38/15/32/530381532.db2.gz AZAADDKILLKEAD-GASCZTMLSA-N 1 1 378.539 -0.575 20 0 GBADMO C[C@@H]1CN(CC[N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000434691704 530381531 /nfs/dbraw/zinc/38/15/31/530381531.db2.gz AZAADDKILLKEAD-GASCZTMLSA-N 1 1 378.539 -0.575 20 0 GBADMO C[C@@H]1CN(CC[N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000434692455 1072638947 /nfs/dbraw/zinc/63/89/47/1072638947.db2.gz GMMFKWNKLCAMJG-CALCHBBNSA-N 1 1 383.537 -0.740 20 0 GBADMO 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COC(=O)[C@H](O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000438009701 1072864242 /nfs/dbraw/zinc/86/42/42/1072864242.db2.gz GUPTVYLEJFZSHC-JKSUJKDBSA-N 1 1 398.504 -0.115 20 0 GBADMO Cc1[nH+]ccn1CCCN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000438098772 1072866705 /nfs/dbraw/zinc/86/67/05/1072866705.db2.gz WPVZHPYGIRQRHY-UHFFFAOYSA-N 1 1 387.506 -0.126 20 0 GBADMO Cc1[nH+]ccn1CCCN(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000438100854 1072866740 /nfs/dbraw/zinc/86/67/40/1072866740.db2.gz QZJZZSATEIVMLX-UHFFFAOYSA-N 1 1 382.446 -0.554 20 0 GBADMO C[C@](O)(CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000438188805 1072871521 /nfs/dbraw/zinc/87/15/21/1072871521.db2.gz KCMZJNQQZQQTSF-HNNXBMFYSA-N 1 1 390.437 -0.322 20 0 GBADMO C[C@@](O)(CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000438188819 1072871256 /nfs/dbraw/zinc/87/12/56/1072871256.db2.gz KCMZJNQQZQQTSF-OAHLLOKOSA-N 1 1 390.437 -0.322 20 0 GBADMO C[C@@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)CN1CC[NH+](C)CC1 ZINC000438310868 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HNSRLAHTOLTZDC-RDJZCZTQSA-N 1 1 399.513 -0.139 20 0 GBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC[N@H+]2CCCOCC2)[C@@H](C)O)cc1 ZINC000438691101 1072903768 /nfs/dbraw/zinc/90/37/68/1072903768.db2.gz HNSRLAHTOLTZDC-WBVHZDCISA-N 1 1 399.513 -0.139 20 0 GBADMO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@H+]1CCCOCC1 ZINC000438693041 1072904003 /nfs/dbraw/zinc/90/40/03/1072904003.db2.gz RROWCBREBMPOBC-KRWDZBQOSA-N 1 1 382.505 -0.462 20 0 GBADMO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@H+]1CCCOCC1 ZINC000438693050 1072903543 /nfs/dbraw/zinc/90/35/43/1072903543.db2.gz RROWCBREBMPOBC-QGZVFWFLSA-N 1 1 382.505 -0.462 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000438693167 1072904086 /nfs/dbraw/zinc/90/40/86/1072904086.db2.gz MYYVBUIFGAXJDY-CYBMUJFWSA-N 1 1 398.485 -0.709 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000438693168 1072903818 /nfs/dbraw/zinc/90/38/18/1072903818.db2.gz MYYVBUIFGAXJDY-ZDUSSCGKSA-N 1 1 398.485 -0.709 20 0 GBADMO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@H](C)O1 ZINC000438715862 1073738292 /nfs/dbraw/zinc/73/82/92/1073738292.db2.gz XROVREIYZJZXFR-BFYDXBDKSA-N 1 1 377.489 -0.227 20 0 GBADMO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H](C)O1 ZINC000438715863 1073738227 /nfs/dbraw/zinc/73/82/27/1073738227.db2.gz XROVREIYZJZXFR-HLLBOEOZSA-N 1 1 377.489 -0.227 20 0 GBADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H](C)O1 ZINC000438715863 1073738211 /nfs/dbraw/zinc/73/82/11/1073738211.db2.gz XROVREIYZJZXFR-HLLBOEOZSA-N 1 1 377.489 -0.227 20 0 GBADMO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@H](C)O1 ZINC000438715865 1073738159 /nfs/dbraw/zinc/73/81/59/1073738159.db2.gz XROVREIYZJZXFR-INMHGKMJSA-N 1 1 377.489 -0.227 20 0 GBADMO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H](C)O1 ZINC000438715867 1073738669 /nfs/dbraw/zinc/73/86/69/1073738669.db2.gz XROVREIYZJZXFR-UXLLHSPISA-N 1 1 377.489 -0.227 20 0 GBADMO 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/nfs/dbraw/zinc/23/36/10/1073233610.db2.gz RDBFPZZHOTYAKD-ZFWWWQNUSA-N 1 1 392.460 -0.600 20 0 GBADMO CNS(=O)(=O)CCCN1C[C@H](C)[N@H+](CCCS(=O)(=O)NC)C[C@H]1C ZINC000441905727 530388175 /nfs/dbraw/zinc/38/81/75/530388175.db2.gz BRGCNQPXLHDPFN-OKILXGFUSA-N 1 1 384.568 -0.740 20 0 GBADMO CNS(=O)(=O)CCCN1C[C@@H](C)[N@@H+](CCCS(=O)(=O)NC)C[C@@H]1C ZINC000441905727 530388174 /nfs/dbraw/zinc/38/81/74/530388174.db2.gz BRGCNQPXLHDPFN-OKILXGFUSA-N 1 1 384.568 -0.740 20 0 GBADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000441935620 1073234439 /nfs/dbraw/zinc/23/44/39/1073234439.db2.gz OXTOCVQPFPYWIS-UHFFFAOYSA-N 1 1 375.429 -0.607 20 0 GBADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000441942270 1073233999 /nfs/dbraw/zinc/23/39/99/1073233999.db2.gz OPMKIYUDVIBTAI-UHFFFAOYSA-N 1 1 392.460 -0.767 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000441960331 1073234526 /nfs/dbraw/zinc/23/45/26/1073234526.db2.gz NZHDYQRSBIVDNJ-AWEZNQCLSA-N 1 1 399.455 -0.091 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000441960333 1073234139 /nfs/dbraw/zinc/23/41/39/1073234139.db2.gz NZHDYQRSBIVDNJ-CQSZACIVSA-N 1 1 399.455 -0.091 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000441964553 1073235816 /nfs/dbraw/zinc/23/58/16/1073235816.db2.gz ZMEMYKRMKDGQLU-HNNXBMFYSA-N 1 1 385.490 -0.147 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000441964553 1073235814 /nfs/dbraw/zinc/23/58/14/1073235814.db2.gz ZMEMYKRMKDGQLU-HNNXBMFYSA-N 1 1 385.490 -0.147 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000441964554 1073235524 /nfs/dbraw/zinc/23/55/24/1073235524.db2.gz ZMEMYKRMKDGQLU-OAHLLOKOSA-N 1 1 385.490 -0.147 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000441964554 1073235522 /nfs/dbraw/zinc/23/55/22/1073235522.db2.gz ZMEMYKRMKDGQLU-OAHLLOKOSA-N 1 1 385.490 -0.147 20 0 GBADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1)CC2 ZINC000441970939 1073235548 /nfs/dbraw/zinc/23/55/48/1073235548.db2.gz SPCZXBSAANJKRW-CYBMUJFWSA-N 1 1 394.497 -0.058 20 0 GBADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000441970942 1073235879 /nfs/dbraw/zinc/23/58/79/1073235879.db2.gz SPCZXBSAANJKRW-ZDUSSCGKSA-N 1 1 394.497 -0.058 20 0 GBADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000441971026 1073235554 /nfs/dbraw/zinc/23/55/54/1073235554.db2.gz SYOZZXWKIOTIHO-AWEZNQCLSA-N 1 1 388.424 -0.119 20 0 GBADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000441971028 1073235503 /nfs/dbraw/zinc/23/55/03/1073235503.db2.gz SYOZZXWKIOTIHO-CQSZACIVSA-N 1 1 388.424 -0.119 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cccnc2-n2cccn2)C1 ZINC000441972445 1073235839 /nfs/dbraw/zinc/23/58/39/1073235839.db2.gz AIQGZGFZELTXEG-AWEZNQCLSA-N 1 1 399.455 -0.091 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cccnc2-n2cccn2)C1 ZINC000441972448 1073235482 /nfs/dbraw/zinc/23/54/82/1073235482.db2.gz AIQGZGFZELTXEG-CQSZACIVSA-N 1 1 399.455 -0.091 20 0 GBADMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC(N)=O ZINC000441975095 1073234864 /nfs/dbraw/zinc/23/48/64/1073234864.db2.gz ZSNNLRLIUJBQKL-GFCCVEGCSA-N 1 1 376.413 -0.149 20 0 GBADMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1OCC(N)=O ZINC000441975097 1073234977 /nfs/dbraw/zinc/23/49/77/1073234977.db2.gz ZSNNLRLIUJBQKL-LBPRGKRZSA-N 1 1 376.413 -0.149 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1 ZINC000441978820 1073234851 /nfs/dbraw/zinc/23/48/51/1073234851.db2.gz PJMQZOIOULGHGN-CYBMUJFWSA-N 1 1 384.458 -0.630 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)c1 ZINC000441978821 1073234811 /nfs/dbraw/zinc/23/48/11/1073234811.db2.gz PJMQZOIOULGHGN-ZDUSSCGKSA-N 1 1 384.458 -0.630 20 0 GBADMO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000441980721 1073234897 /nfs/dbraw/zinc/23/48/97/1073234897.db2.gz SWYKBOCRLHHTMQ-AWEZNQCLSA-N 1 1 389.456 -0.312 20 0 GBADMO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000441980723 1073235073 /nfs/dbraw/zinc/23/50/73/1073235073.db2.gz SWYKBOCRLHHTMQ-CQSZACIVSA-N 1 1 389.456 -0.312 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000441982552 1073236274 /nfs/dbraw/zinc/23/62/74/1073236274.db2.gz CJAKHDPZHVFSDZ-CYBMUJFWSA-N 1 1 384.458 -0.582 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000441982553 1073236388 /nfs/dbraw/zinc/23/63/88/1073236388.db2.gz CJAKHDPZHVFSDZ-ZDUSSCGKSA-N 1 1 384.458 -0.582 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000441984634 1073236419 /nfs/dbraw/zinc/23/64/19/1073236419.db2.gz GWPXKWNXCDSPDU-CYBMUJFWSA-N 1 1 378.429 -0.284 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000441984636 1073236130 /nfs/dbraw/zinc/23/61/30/1073236130.db2.gz GWPXKWNXCDSPDU-ZDUSSCGKSA-N 1 1 378.429 -0.284 20 0 GBADMO CNC(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000441985699 1073236355 /nfs/dbraw/zinc/23/63/55/1073236355.db2.gz FXEBDNVUBGBHKU-AWEZNQCLSA-N 1 1 389.456 -0.312 20 0 GBADMO CNC(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000441985701 1073236352 /nfs/dbraw/zinc/23/63/52/1073236352.db2.gz FXEBDNVUBGBHKU-CQSZACIVSA-N 1 1 389.456 -0.312 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000441990920 1073237039 /nfs/dbraw/zinc/23/70/39/1073237039.db2.gz XGKGODFTGPVEJF-AWEZNQCLSA-N 1 1 399.455 -0.091 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000441990921 1073237310 /nfs/dbraw/zinc/23/73/10/1073237310.db2.gz XGKGODFTGPVEJF-CQSZACIVSA-N 1 1 399.455 -0.091 20 0 GBADMO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000441991019 1073237272 /nfs/dbraw/zinc/23/72/72/1073237272.db2.gz ZJUDHAZUWXFYAN-AWEZNQCLSA-N 1 1 378.429 -0.413 20 0 GBADMO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000441991023 1073237089 /nfs/dbraw/zinc/23/70/89/1073237089.db2.gz ZJUDHAZUWXFYAN-CQSZACIVSA-N 1 1 378.429 -0.413 20 0 GBADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C(N)=O ZINC000441992351 1073236961 /nfs/dbraw/zinc/23/69/61/1073236961.db2.gz XIRVOEFQWYTZFO-CYBMUJFWSA-N 1 1 389.456 -0.264 20 0 GBADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C(N)=O ZINC000441992352 1073236879 /nfs/dbraw/zinc/23/68/79/1073236879.db2.gz XIRVOEFQWYTZFO-ZDUSSCGKSA-N 1 1 389.456 -0.264 20 0 GBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@@H+](C)C(C)C)CC2 ZINC000441993935 1073237159 /nfs/dbraw/zinc/23/71/59/1073237159.db2.gz BNSARNPNSKLIJD-UHFFFAOYSA-N 1 1 382.486 -0.060 20 0 GBADMO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000441994241 1073237235 /nfs/dbraw/zinc/23/72/35/1073237235.db2.gz CCIBEECPEWKMKP-HNNXBMFYSA-N 1 1 392.456 -0.023 20 0 GBADMO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000441994243 1073236943 /nfs/dbraw/zinc/23/69/43/1073236943.db2.gz CCIBEECPEWKMKP-OAHLLOKOSA-N 1 1 392.456 -0.023 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000441995100 1073237120 /nfs/dbraw/zinc/23/71/20/1073237120.db2.gz DUVZXRDQDSIODX-AWEZNQCLSA-N 1 1 377.445 -0.306 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000441995101 1073237134 /nfs/dbraw/zinc/23/71/34/1073237134.db2.gz DUVZXRDQDSIODX-CQSZACIVSA-N 1 1 377.445 -0.306 20 0 GBADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@@H+](C)CC)CC2 ZINC000441995673 1073235698 /nfs/dbraw/zinc/23/56/98/1073235698.db2.gz AXJJYNACKMEWHD-UHFFFAOYSA-N 1 1 382.486 -0.058 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000441996137 1073237294 /nfs/dbraw/zinc/23/72/94/1073237294.db2.gz CDJDXPYNEWEHCL-CYBMUJFWSA-N 1 1 398.485 -0.288 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000441996142 1073236997 /nfs/dbraw/zinc/23/69/97/1073236997.db2.gz CDJDXPYNEWEHCL-ZDUSSCGKSA-N 1 1 398.485 -0.288 20 0 GBADMO CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1S(N)(=O)=O ZINC000441996944 1073235771 /nfs/dbraw/zinc/23/57/71/1073235771.db2.gz HYLLWKMKTAAKLD-AWEZNQCLSA-N 1 1 398.485 -0.328 20 0 GBADMO CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1S(N)(=O)=O ZINC000441996947 1073235512 /nfs/dbraw/zinc/23/55/12/1073235512.db2.gz HYLLWKMKTAAKLD-CQSZACIVSA-N 1 1 398.485 -0.328 20 0 GBADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000441999017 1073235861 /nfs/dbraw/zinc/23/58/61/1073235861.db2.gz IEJXIKIXPDSZIZ-CABCVRRESA-N 1 1 376.461 -0.005 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000442001474 1073236460 /nfs/dbraw/zinc/23/64/60/1073236460.db2.gz KUAKKXWRYVIFEX-HNNXBMFYSA-N 1 1 398.485 -0.489 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000442001483 1073236401 /nfs/dbraw/zinc/23/64/01/1073236401.db2.gz KUAKKXWRYVIFEX-OAHLLOKOSA-N 1 1 398.485 -0.489 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000442001846 1073236450 /nfs/dbraw/zinc/23/64/50/1073236450.db2.gz SLIGZZYEXVHJRA-LLVKDONJSA-N 1 1 388.421 -0.752 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000442001853 1073236167 /nfs/dbraw/zinc/23/61/67/1073236167.db2.gz SLIGZZYEXVHJRA-NSHDSACASA-N 1 1 388.421 -0.752 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C1 ZINC000442002706 1073237765 /nfs/dbraw/zinc/23/77/65/1073237765.db2.gz PMDTXNZQIIQTLP-AWEZNQCLSA-N 1 1 375.429 -0.008 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C1 ZINC000442002709 1073237627 /nfs/dbraw/zinc/23/76/27/1073237627.db2.gz PMDTXNZQIIQTLP-CQSZACIVSA-N 1 1 375.429 -0.008 20 0 GBADMO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442007174 1073237829 /nfs/dbraw/zinc/23/78/29/1073237829.db2.gz ADGATWPVSVIIHJ-GOSISDBHSA-N 1 1 378.429 -0.217 20 0 GBADMO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442007176 1073237785 /nfs/dbraw/zinc/23/77/85/1073237785.db2.gz ADGATWPVSVIIHJ-SFHVURJKSA-N 1 1 378.429 -0.217 20 0 GBADMO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442009478 1073238256 /nfs/dbraw/zinc/23/82/56/1073238256.db2.gz GQMYOVOXOHYCDP-GOSISDBHSA-N 1 1 379.413 -0.389 20 0 GBADMO COC(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442009479 1073238350 /nfs/dbraw/zinc/23/83/50/1073238350.db2.gz GQMYOVOXOHYCDP-SFHVURJKSA-N 1 1 379.413 -0.389 20 0 GBADMO COc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc(OC)c1 ZINC000442010002 1073238531 /nfs/dbraw/zinc/23/85/31/1073238531.db2.gz GEWWVMQYPITGDV-GOSISDBHSA-N 1 1 381.429 -0.158 20 0 GBADMO COc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc(OC)c1 ZINC000442010004 1073238396 /nfs/dbraw/zinc/23/83/96/1073238396.db2.gz GEWWVMQYPITGDV-SFHVURJKSA-N 1 1 381.429 -0.158 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCOCC1 ZINC000442011317 1073238376 /nfs/dbraw/zinc/23/83/76/1073238376.db2.gz CDXDJASPAHQONY-GOSISDBHSA-N 1 1 379.413 -0.404 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCOCC1 ZINC000442011319 1073238504 /nfs/dbraw/zinc/23/85/04/1073238504.db2.gz CDXDJASPAHQONY-SFHVURJKSA-N 1 1 379.413 -0.404 20 0 GBADMO COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442012050 1073238159 /nfs/dbraw/zinc/23/81/59/1073238159.db2.gz NWSKLDSLTJQDCF-IBGZPJMESA-N 1 1 393.440 -0.080 20 0 GBADMO COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442012053 1073238195 /nfs/dbraw/zinc/23/81/95/1073238195.db2.gz NWSKLDSLTJQDCF-LJQANCHMSA-N 1 1 393.440 -0.080 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)C[NH+]1CCOCC1 ZINC000442012375 1073238517 /nfs/dbraw/zinc/23/85/17/1073238517.db2.gz GDSVXCAWDKVNFG-GOSISDBHSA-N 1 1 389.412 -0.126 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)C[NH+]1CCOCC1 ZINC000442012376 1073238477 /nfs/dbraw/zinc/23/84/77/1073238477.db2.gz GDSVXCAWDKVNFG-SFHVURJKSA-N 1 1 389.412 -0.126 20 0 GBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC(CCO)C3)cc2)CC1 ZINC000442012791 1073238926 /nfs/dbraw/zinc/23/89/26/1073238926.db2.gz PNQUFEOGYYCEBO-UHFFFAOYSA-N 1 1 388.468 -0.218 20 0 GBADMO COCCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000442013403 1073238341 /nfs/dbraw/zinc/23/83/41/1073238341.db2.gz RABFLVPLUFRJIH-GOSISDBHSA-N 1 1 396.444 -0.755 20 0 GBADMO COCCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000442013404 1073238275 /nfs/dbraw/zinc/23/82/75/1073238275.db2.gz RABFLVPLUFRJIH-SFHVURJKSA-N 1 1 396.444 -0.755 20 0 GBADMO COC(=O)c1ccsc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442013905 1073239167 /nfs/dbraw/zinc/23/91/67/1073239167.db2.gz SOKWQMDYCQAQBO-INIZCTEOSA-N 1 1 385.442 -0.327 20 0 GBADMO COC(=O)c1ccsc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442013906 1073239183 /nfs/dbraw/zinc/23/91/83/1073239183.db2.gz SOKWQMDYCQAQBO-MRXNPFEDSA-N 1 1 385.442 -0.327 20 0 GBADMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442014042 1073238873 /nfs/dbraw/zinc/23/88/73/1073238873.db2.gz LBJKXBSUJASUDA-IBGZPJMESA-N 1 1 392.456 -0.193 20 0 GBADMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442014045 1073239154 /nfs/dbraw/zinc/23/91/54/1073239154.db2.gz LBJKXBSUJASUDA-LJQANCHMSA-N 1 1 392.456 -0.193 20 0 GBADMO Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccc21 ZINC000442015098 1073239099 /nfs/dbraw/zinc/23/90/99/1073239099.db2.gz DKJXTJYTZNKTON-GOSISDBHSA-N 1 1 392.412 -0.731 20 0 GBADMO Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccc21 ZINC000442015100 1073238776 /nfs/dbraw/zinc/23/87/76/1073238776.db2.gz DKJXTJYTZNKTON-SFHVURJKSA-N 1 1 392.412 -0.731 20 0 GBADMO COC(=O)Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442015612 1073237222 /nfs/dbraw/zinc/23/72/22/1073237222.db2.gz WPOPYAGNUVKLOA-IBGZPJMESA-N 1 1 393.440 -0.460 20 0 GBADMO COC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442015613 1073236860 /nfs/dbraw/zinc/23/68/60/1073236860.db2.gz WPOPYAGNUVKLOA-LJQANCHMSA-N 1 1 393.440 -0.460 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)C[NH+]1CCOCC1 ZINC000442017508 1073237729 /nfs/dbraw/zinc/23/77/29/1073237729.db2.gz SALYMUACNDROBN-IBGZPJMESA-N 1 1 390.440 -0.291 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)C[NH+]1CCOCC1 ZINC000442017509 1073237717 /nfs/dbraw/zinc/23/77/17/1073237717.db2.gz SALYMUACNDROBN-LJQANCHMSA-N 1 1 390.440 -0.291 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000442017649 1073237750 /nfs/dbraw/zinc/23/77/50/1073237750.db2.gz KFMVSDBRKKIKAC-AWEZNQCLSA-N 1 1 399.459 -0.299 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000442017650 1073237806 /nfs/dbraw/zinc/23/78/06/1073237806.db2.gz KFMVSDBRKKIKAC-CQSZACIVSA-N 1 1 399.459 -0.299 20 0 GBADMO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442019110 1073239573 /nfs/dbraw/zinc/23/95/73/1073239573.db2.gz BUDHKNBRQBADIZ-GOSISDBHSA-N 1 1 378.429 -0.768 20 0 GBADMO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442019114 1073239660 /nfs/dbraw/zinc/23/96/60/1073239660.db2.gz BUDHKNBRQBADIZ-SFHVURJKSA-N 1 1 378.429 -0.768 20 0 GBADMO COCCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442019196 1073239628 /nfs/dbraw/zinc/23/96/28/1073239628.db2.gz BZMAOEQBYVPRDM-IBGZPJMESA-N 1 1 395.456 -0.150 20 0 GBADMO COCCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442019199 1073172084 /nfs/dbraw/zinc/17/20/84/1073172084.db2.gz BZMAOEQBYVPRDM-LJQANCHMSA-N 1 1 395.456 -0.150 20 0 GBADMO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442020962 1073239583 /nfs/dbraw/zinc/23/95/83/1073239583.db2.gz HDNHGQIPCSQULH-IBGZPJMESA-N 1 1 392.456 -0.426 20 0 GBADMO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442020963 1073239618 /nfs/dbraw/zinc/23/96/18/1073239618.db2.gz HDNHGQIPCSQULH-LJQANCHMSA-N 1 1 392.456 -0.426 20 0 GBADMO Cn1cnc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccc21 ZINC000442022328 1073239532 /nfs/dbraw/zinc/23/95/32/1073239532.db2.gz BDEIZGDVCSRDDW-GOSISDBHSA-N 1 1 375.429 -0.289 20 0 GBADMO Cn1cnc2cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccc21 ZINC000442022336 1073239650 /nfs/dbraw/zinc/23/96/50/1073239650.db2.gz BDEIZGDVCSRDDW-SFHVURJKSA-N 1 1 375.429 -0.289 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000442023248 1073239703 /nfs/dbraw/zinc/23/97/03/1073239703.db2.gz CCRONVPLUARHCV-AUUYWEPGSA-N 1 1 377.441 0.000 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000442023254 1073239508 /nfs/dbraw/zinc/23/95/08/1073239508.db2.gz CCRONVPLUARHCV-IFXJQAMLSA-N 1 1 377.441 0.000 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000442023258 1073239540 /nfs/dbraw/zinc/23/95/40/1073239540.db2.gz CCRONVPLUARHCV-KUHUBIRLSA-N 1 1 377.441 0.000 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000442023260 1073239634 /nfs/dbraw/zinc/23/96/34/1073239634.db2.gz CCRONVPLUARHCV-LIRRHRJNSA-N 1 1 377.441 0.000 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000442023914 1073240108 /nfs/dbraw/zinc/24/01/08/1073240108.db2.gz KWIOKUHLVPFUDL-UHFFFAOYSA-N 1 1 387.448 -0.441 20 0 GBADMO CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000442025009 1073240042 /nfs/dbraw/zinc/24/00/42/1073240042.db2.gz YYOVLRLGZVACGO-GOSISDBHSA-N 1 1 379.461 -0.088 20 0 GBADMO CC(C)(C)c1ncc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000442025016 1073240074 /nfs/dbraw/zinc/24/00/74/1073240074.db2.gz YYOVLRLGZVACGO-SFHVURJKSA-N 1 1 379.461 -0.088 20 0 GBADMO COc1cc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1OC ZINC000442025302 1073240066 /nfs/dbraw/zinc/24/00/66/1073240066.db2.gz FTVIELOVEMTJFF-GOSISDBHSA-N 1 1 399.419 -0.019 20 0 GBADMO COc1cc(F)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1OC ZINC000442025307 1073239925 /nfs/dbraw/zinc/23/99/25/1073239925.db2.gz FTVIELOVEMTJFF-SFHVURJKSA-N 1 1 399.419 -0.019 20 0 GBADMO CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442026694 1073240875 /nfs/dbraw/zinc/24/08/75/1073240875.db2.gz NUVPLFDLECZVRF-GFCCVEGCSA-N 1 1 377.445 -0.034 20 0 GBADMO CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000442026695 1073240564 /nfs/dbraw/zinc/24/05/64/1073240564.db2.gz NUVPLFDLECZVRF-LBPRGKRZSA-N 1 1 377.445 -0.034 20 0 GBADMO C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)cc2C1 ZINC000442028614 1073240540 /nfs/dbraw/zinc/24/05/40/1073240540.db2.gz JBOOKBXEBAJGIX-IBGZPJMESA-N 1 1 376.457 -0.230 20 0 GBADMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)cc2C1 ZINC000442028614 1073240538 /nfs/dbraw/zinc/24/05/38/1073240538.db2.gz JBOOKBXEBAJGIX-IBGZPJMESA-N 1 1 376.457 -0.230 20 0 GBADMO C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)cc2C1 ZINC000442028615 1073240906 /nfs/dbraw/zinc/24/09/06/1073240906.db2.gz JBOOKBXEBAJGIX-LJQANCHMSA-N 1 1 376.457 -0.230 20 0 GBADMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)cc2C1 ZINC000442028615 1073240900 /nfs/dbraw/zinc/24/09/00/1073240900.db2.gz JBOOKBXEBAJGIX-LJQANCHMSA-N 1 1 376.457 -0.230 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000442030458 1073240733 /nfs/dbraw/zinc/24/07/33/1073240733.db2.gz NEFLHRLSCDWOBK-GOSISDBHSA-N 1 1 388.428 -0.595 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000442030461 1073240854 /nfs/dbraw/zinc/24/08/54/1073240854.db2.gz NEFLHRLSCDWOBK-SFHVURJKSA-N 1 1 388.428 -0.595 20 0 GBADMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442030644 1073241491 /nfs/dbraw/zinc/24/14/91/1073241491.db2.gz TVBUXYWSJFCIFI-GOSISDBHSA-N 1 1 379.413 -0.389 20 0 GBADMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442030646 1073241560 /nfs/dbraw/zinc/24/15/60/1073241560.db2.gz TVBUXYWSJFCIFI-SFHVURJKSA-N 1 1 379.413 -0.389 20 0 GBADMO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442031388 1073241395 /nfs/dbraw/zinc/24/13/95/1073241395.db2.gz NCTVCMAZRUEEBG-GOSISDBHSA-N 1 1 378.429 -0.217 20 0 GBADMO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442031389 1073241330 /nfs/dbraw/zinc/24/13/30/1073241330.db2.gz NCTVCMAZRUEEBG-SFHVURJKSA-N 1 1 378.429 -0.217 20 0 GBADMO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1OC ZINC000442032639 1073242037 /nfs/dbraw/zinc/24/20/37/1073242037.db2.gz OJFKRKPAWPAGRK-GOSISDBHSA-N 1 1 381.429 -0.158 20 0 GBADMO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1OC ZINC000442032641 1073241765 /nfs/dbraw/zinc/24/17/65/1073241765.db2.gz OJFKRKPAWPAGRK-SFHVURJKSA-N 1 1 381.429 -0.158 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1cccnc1-n1cccn1)C[NH+]1CCOCC1 ZINC000442034411 1073241824 /nfs/dbraw/zinc/24/18/24/1073241824.db2.gz PYZWOUQFSKXHAS-GOSISDBHSA-N 1 1 388.428 -0.595 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1cccnc1-n1cccn1)C[NH+]1CCOCC1 ZINC000442034413 1073241954 /nfs/dbraw/zinc/24/19/54/1073241954.db2.gz PYZWOUQFSKXHAS-SFHVURJKSA-N 1 1 388.428 -0.595 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)C[NH+]1CCOCC1 ZINC000442034744 1073242058 /nfs/dbraw/zinc/24/20/58/1073242058.db2.gz ZZOKMURCUIOEHL-GOSISDBHSA-N 1 1 388.428 -0.595 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)C[NH+]1CCOCC1 ZINC000442034747 1073241847 /nfs/dbraw/zinc/24/18/47/1073241847.db2.gz ZZOKMURCUIOEHL-SFHVURJKSA-N 1 1 388.428 -0.595 20 0 GBADMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1C ZINC000442036388 1073241806 /nfs/dbraw/zinc/24/18/06/1073241806.db2.gz VGTRPGFAPMQFIY-IBGZPJMESA-N 1 1 393.440 -0.080 20 0 GBADMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1C ZINC000442036389 1073242026 /nfs/dbraw/zinc/24/20/26/1073242026.db2.gz VGTRPGFAPMQFIY-LJQANCHMSA-N 1 1 393.440 -0.080 20 0 GBADMO CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442036685 1073242719 /nfs/dbraw/zinc/24/27/19/1073242719.db2.gz URIFTASFTITUME-GOSISDBHSA-N 1 1 396.419 -0.078 20 0 GBADMO CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442036687 1073242558 /nfs/dbraw/zinc/24/25/58/1073242558.db2.gz URIFTASFTITUME-SFHVURJKSA-N 1 1 396.419 -0.078 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1)C[NH+]1CCOCC1 ZINC000442036963 1073242546 /nfs/dbraw/zinc/24/25/46/1073242546.db2.gz VBWSQKUQSIQOEC-IBGZPJMESA-N 1 1 391.472 -0.180 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1)C[NH+]1CCOCC1 ZINC000442036964 1073242610 /nfs/dbraw/zinc/24/26/10/1073242610.db2.gz VBWSQKUQSIQOEC-LJQANCHMSA-N 1 1 391.472 -0.180 20 0 GBADMO COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442043881 1073243137 /nfs/dbraw/zinc/24/31/37/1073243137.db2.gz NOUWGEFLHCUVJK-GOSISDBHSA-N 1 1 397.403 -0.250 20 0 GBADMO COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442043882 1073244157 /nfs/dbraw/zinc/24/41/57/1073244157.db2.gz NOUWGEFLHCUVJK-SFHVURJKSA-N 1 1 397.403 -0.250 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000442045614 1073244206 /nfs/dbraw/zinc/24/42/06/1073244206.db2.gz QMXNNZKXICYFAG-LJQANCHMSA-N 1 1 387.440 0.010 20 0 GBADMO COCCOc1ncccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442048920 1073244286 /nfs/dbraw/zinc/24/42/86/1073244286.db2.gz PSBYVHVTHZPPBA-GOSISDBHSA-N 1 1 396.444 -0.755 20 0 GBADMO COCCOc1ncccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442048921 1073244225 /nfs/dbraw/zinc/24/42/25/1073244225.db2.gz PSBYVHVTHZPPBA-SFHVURJKSA-N 1 1 396.444 -0.755 20 0 GBADMO COCCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442050432 1073244140 /nfs/dbraw/zinc/24/41/40/1073244140.db2.gz DCRRHIITONBYQE-IBGZPJMESA-N 1 1 395.456 -0.150 20 0 GBADMO COCCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442050433 1073244014 /nfs/dbraw/zinc/24/40/14/1073244014.db2.gz DCRRHIITONBYQE-LJQANCHMSA-N 1 1 395.456 -0.150 20 0 GBADMO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)C[NH+]1CCOCC1 ZINC000442051605 1073242756 /nfs/dbraw/zinc/24/27/56/1073242756.db2.gz OOFVUHRQBBTXHQ-GOSISDBHSA-N 1 1 388.428 -0.595 20 0 GBADMO C[C@](O)(CNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)C[NH+]1CCOCC1 ZINC000442051607 1073242511 /nfs/dbraw/zinc/24/25/11/1073242511.db2.gz OOFVUHRQBBTXHQ-SFHVURJKSA-N 1 1 388.428 -0.595 20 0 GBADMO CNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442058106 1073243499 /nfs/dbraw/zinc/24/34/99/1073243499.db2.gz NMDPROIIKQDGPW-IBGZPJMESA-N 1 1 392.456 -0.507 20 0 GBADMO CNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442058108 1073243209 /nfs/dbraw/zinc/24/32/09/1073243209.db2.gz NMDPROIIKQDGPW-LJQANCHMSA-N 1 1 392.456 -0.507 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000442062548 1073243568 /nfs/dbraw/zinc/24/35/68/1073243568.db2.gz KNAAZAXLPSNMFS-CYBMUJFWSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000442062548 1073243564 /nfs/dbraw/zinc/24/35/64/1073243564.db2.gz KNAAZAXLPSNMFS-CYBMUJFWSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000442062551 1073243485 /nfs/dbraw/zinc/24/34/85/1073243485.db2.gz KNAAZAXLPSNMFS-ZDUSSCGKSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000442062551 1073243478 /nfs/dbraw/zinc/24/34/78/1073243478.db2.gz KNAAZAXLPSNMFS-ZDUSSCGKSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000442065125 1073244992 /nfs/dbraw/zinc/24/49/92/1073244992.db2.gz YUTQBTNTIVSCDZ-CYBMUJFWSA-N 1 1 394.476 -0.787 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000442065125 1073244988 /nfs/dbraw/zinc/24/49/88/1073244988.db2.gz YUTQBTNTIVSCDZ-CYBMUJFWSA-N 1 1 394.476 -0.787 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000442065128 1073245145 /nfs/dbraw/zinc/24/51/45/1073245145.db2.gz YUTQBTNTIVSCDZ-ZDUSSCGKSA-N 1 1 394.476 -0.787 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000442065128 1073245140 /nfs/dbraw/zinc/24/51/40/1073245140.db2.gz YUTQBTNTIVSCDZ-ZDUSSCGKSA-N 1 1 394.476 -0.787 20 0 GBADMO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(OC)c1 ZINC000442065182 1073244839 /nfs/dbraw/zinc/24/48/39/1073244839.db2.gz YXXVMFHJSLBVLX-GOSISDBHSA-N 1 1 381.429 -0.158 20 0 GBADMO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(OC)c1 ZINC000442065183 1073244665 /nfs/dbraw/zinc/24/46/65/1073244665.db2.gz YXXVMFHJSLBVLX-SFHVURJKSA-N 1 1 381.429 -0.158 20 0 GBADMO COCCc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)n(C)n1 ZINC000442085201 1073243926 /nfs/dbraw/zinc/24/39/26/1073243926.db2.gz VEHOZRHYSWIOJQ-CYBMUJFWSA-N 1 1 381.477 -0.149 20 0 GBADMO COCCc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)n(C)n1 ZINC000442085201 1073243917 /nfs/dbraw/zinc/24/39/17/1073243917.db2.gz VEHOZRHYSWIOJQ-CYBMUJFWSA-N 1 1 381.477 -0.149 20 0 GBADMO COCCc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)n(C)n1 ZINC000442085203 1073244081 /nfs/dbraw/zinc/24/40/81/1073244081.db2.gz VEHOZRHYSWIOJQ-ZDUSSCGKSA-N 1 1 381.477 -0.149 20 0 GBADMO COCCc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)n(C)n1 ZINC000442085203 1073244076 /nfs/dbraw/zinc/24/40/76/1073244076.db2.gz VEHOZRHYSWIOJQ-ZDUSSCGKSA-N 1 1 381.477 -0.149 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000442096634 1073244586 /nfs/dbraw/zinc/24/45/86/1073244586.db2.gz VNAKGYPMIHWBHF-CYBMUJFWSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000442096634 1073244584 /nfs/dbraw/zinc/24/45/84/1073244584.db2.gz VNAKGYPMIHWBHF-CYBMUJFWSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000442096637 1073244725 /nfs/dbraw/zinc/24/47/25/1073244725.db2.gz VNAKGYPMIHWBHF-ZDUSSCGKSA-N 1 1 387.444 -0.096 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000442096637 1073244717 /nfs/dbraw/zinc/24/47/17/1073244717.db2.gz VNAKGYPMIHWBHF-ZDUSSCGKSA-N 1 1 387.444 -0.096 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCCOC)c1 ZINC000442145622 1073247249 /nfs/dbraw/zinc/24/72/49/1073247249.db2.gz ZYVGFERMFQRTCQ-UHFFFAOYSA-N 1 1 386.474 -0.382 20 0 GBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000442157693 1073247987 /nfs/dbraw/zinc/24/79/87/1073247987.db2.gz PABFPTFMIIPGQZ-UHFFFAOYSA-N 1 1 376.413 -0.065 20 0 GBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000442159759 1073247891 /nfs/dbraw/zinc/24/78/91/1073247891.db2.gz ZRZDXYUEZXXURV-UHFFFAOYSA-N 1 1 392.460 -0.959 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000442193558 1073249529 /nfs/dbraw/zinc/24/95/29/1073249529.db2.gz XZWRQHIXCRPFIO-UHFFFAOYSA-N 1 1 386.456 -0.115 20 0 GBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCn1cc[nH+]c1C)CC2 ZINC000442213149 1073250377 /nfs/dbraw/zinc/25/03/77/1073250377.db2.gz FZUKJLIHLJMUMX-UHFFFAOYSA-N 1 1 391.453 -0.195 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000442229199 1073249553 /nfs/dbraw/zinc/24/95/53/1073249553.db2.gz ALZBQBOHSRRAIZ-INIZCTEOSA-N 1 1 393.492 -0.237 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000442229206 1073249239 /nfs/dbraw/zinc/24/92/39/1073249239.db2.gz ALZBQBOHSRRAIZ-MRXNPFEDSA-N 1 1 393.492 -0.237 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000442230006 1073250029 /nfs/dbraw/zinc/25/00/29/1073250029.db2.gz CNOHCYIWDGMFFV-HNNXBMFYSA-N 1 1 381.481 -0.478 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000442230007 1073250482 /nfs/dbraw/zinc/25/04/82/1073250482.db2.gz CNOHCYIWDGMFFV-OAHLLOKOSA-N 1 1 381.481 -0.478 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nn1 ZINC000442238564 1073250313 /nfs/dbraw/zinc/25/03/13/1073250313.db2.gz IPQIZJVFNUYKKC-HNNXBMFYSA-N 1 1 380.449 -0.153 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC000442238566 1073250254 /nfs/dbraw/zinc/25/02/54/1073250254.db2.gz IPQIZJVFNUYKKC-OAHLLOKOSA-N 1 1 380.449 -0.153 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nn1 ZINC000442245649 1073251097 /nfs/dbraw/zinc/25/10/97/1073251097.db2.gz RYCWCYHHZSTFAI-UHFFFAOYSA-N 1 1 390.448 -0.398 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)nn1 ZINC000442245649 1073251093 /nfs/dbraw/zinc/25/10/93/1073251093.db2.gz RYCWCYHHZSTFAI-UHFFFAOYSA-N 1 1 390.448 -0.398 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)nn1 ZINC000442246164 1073250848 /nfs/dbraw/zinc/25/08/48/1073250848.db2.gz ZHYYCPGDYXVZKB-CYBMUJFWSA-N 1 1 380.449 -0.154 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)nn1 ZINC000442246167 1073251010 /nfs/dbraw/zinc/25/10/10/1073251010.db2.gz ZHYYCPGDYXVZKB-ZDUSSCGKSA-N 1 1 380.449 -0.154 20 0 GBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cn1 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377.445 -0.106 20 0 GBADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H](C)CO ZINC000443330333 530391550 /nfs/dbraw/zinc/39/15/50/530391550.db2.gz NCJSCIHCQWWGHD-NXEZZACHSA-N 1 1 379.866 -0.011 20 0 GBADMO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H](C)CO ZINC000443330333 530391548 /nfs/dbraw/zinc/39/15/48/530391548.db2.gz NCJSCIHCQWWGHD-NXEZZACHSA-N 1 1 379.866 -0.011 20 0 GBADMO C[C@H](O)C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H](C)CO ZINC000443330334 530391441 /nfs/dbraw/zinc/39/14/41/530391441.db2.gz NCJSCIHCQWWGHD-UWVGGRQHSA-N 1 1 379.866 -0.011 20 0 GBADMO C[C@H](O)C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H](C)CO ZINC000443330334 530391439 /nfs/dbraw/zinc/39/14/39/530391439.db2.gz NCJSCIHCQWWGHD-UWVGGRQHSA-N 1 1 379.866 -0.011 20 0 GBADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H](C)CO ZINC000443330336 530391469 /nfs/dbraw/zinc/39/14/69/530391469.db2.gz NCJSCIHCQWWGHD-VHSXEESVSA-N 1 1 379.866 -0.011 20 0 GBADMO 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NKXOAHFJVPXWPP-HOTGVXAUSA-N 1 1 390.536 -0.011 20 0 GBADMO C[C@@H]1CN(C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000443443518 1073296316 /nfs/dbraw/zinc/29/63/16/1073296316.db2.gz NKXOAHFJVPXWPP-HZPDHXFCSA-N 1 1 390.536 -0.011 20 0 GBADMO C[C@@H]1CN(C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@H+](C)C[C@H]2C)n1 ZINC000443443518 1073296310 /nfs/dbraw/zinc/29/63/10/1073296310.db2.gz NKXOAHFJVPXWPP-HZPDHXFCSA-N 1 1 390.536 -0.011 20 0 GBADMO C[N@@H+](CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000443463890 530391894 /nfs/dbraw/zinc/39/18/94/530391894.db2.gz JNLSATUUZADCPH-UHFFFAOYSA-N 1 1 390.531 -0.470 20 0 GBADMO C[N@H+](CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000443463890 530391892 /nfs/dbraw/zinc/39/18/92/530391892.db2.gz JNLSATUUZADCPH-UHFFFAOYSA-N 1 1 390.531 -0.470 20 0 GBADMO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000443465931 530391853 /nfs/dbraw/zinc/39/18/53/530391853.db2.gz IAAOCSGRFKWTSI-HNNXBMFYSA-N 1 1 394.563 -0.338 20 0 GBADMO 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VDSDMHZBQSYWSC-CQSZACIVSA-N 1 1 383.518 -0.090 20 0 GBADMO C[C@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(N)(=O)=O ZINC000443495080 1073303487 /nfs/dbraw/zinc/30/34/87/1073303487.db2.gz VGDQKJYDZJBDBW-CYBMUJFWSA-N 1 1 397.501 -0.450 20 0 GBADMO C[C@@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(N)(=O)=O ZINC000443495085 1073303248 /nfs/dbraw/zinc/30/32/48/1073303248.db2.gz VGDQKJYDZJBDBW-ZDUSSCGKSA-N 1 1 397.501 -0.450 20 0 GBADMO NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000443496516 1073303087 /nfs/dbraw/zinc/30/30/87/1073303087.db2.gz DVOXMPQLVIRWJA-AWEZNQCLSA-N 1 1 397.505 -0.939 20 0 GBADMO NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000443496519 1073303366 /nfs/dbraw/zinc/30/33/66/1073303366.db2.gz DVOXMPQLVIRWJA-CQSZACIVSA-N 1 1 397.505 -0.939 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443504544 1073304070 /nfs/dbraw/zinc/30/40/70/1073304070.db2.gz XZELKVBTHWEIKW-AWEZNQCLSA-N 1 1 389.522 -0.561 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443504545 1073303904 /nfs/dbraw/zinc/30/39/04/1073303904.db2.gz XZELKVBTHWEIKW-CQSZACIVSA-N 1 1 389.522 -0.561 20 0 GBADMO Cc1ccc(NCCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[nH+]c1 ZINC000443518181 1073305632 /nfs/dbraw/zinc/30/56/32/1073305632.db2.gz KZWXIJZQLRDJNU-UHFFFAOYSA-N 1 1 395.441 -0.021 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000443520252 1073305709 /nfs/dbraw/zinc/30/57/09/1073305709.db2.gz JVEIENICMWQLHL-KBPBESRZSA-N 1 1 384.506 -0.432 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000443520254 1073305378 /nfs/dbraw/zinc/30/53/78/1073305378.db2.gz JVEIENICMWQLHL-KGLIPLIRSA-N 1 1 384.506 -0.432 20 0 GBADMO C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)S(N)(=O)=O ZINC000443520256 1073305484 /nfs/dbraw/zinc/30/54/84/1073305484.db2.gz JVEIENICMWQLHL-UONOGXRCSA-N 1 1 384.506 -0.432 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000443520258 1073305257 /nfs/dbraw/zinc/30/52/57/1073305257.db2.gz JVEIENICMWQLHL-ZIAGYGMSSA-N 1 1 384.506 -0.432 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000443520302 1073305271 /nfs/dbraw/zinc/30/52/71/1073305271.db2.gz KGKZGRWYNQJTAN-CABCVRRESA-N 1 1 396.517 -0.336 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000443520303 1073305330 /nfs/dbraw/zinc/30/53/30/1073305330.db2.gz KGKZGRWYNQJTAN-GJZGRUSLSA-N 1 1 396.517 -0.336 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000443520304 1073305383 /nfs/dbraw/zinc/30/53/83/1073305383.db2.gz KGKZGRWYNQJTAN-HUUCEWRRSA-N 1 1 396.517 -0.336 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000443520305 1073305451 /nfs/dbraw/zinc/30/54/51/1073305451.db2.gz KGKZGRWYNQJTAN-LSDHHAIUSA-N 1 1 396.517 -0.336 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443523210 1073306161 /nfs/dbraw/zinc/30/61/61/1073306161.db2.gz RBKVRMKHWZHTRH-HNNXBMFYSA-N 1 1 389.566 -0.030 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443523211 1073305989 /nfs/dbraw/zinc/30/59/89/1073305989.db2.gz RBKVRMKHWZHTRH-OAHLLOKOSA-N 1 1 389.566 -0.030 20 0 GBADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443526519 1073306454 /nfs/dbraw/zinc/30/64/54/1073306454.db2.gz HQNIATBFIWOSNV-OWCLPIDISA-N 1 1 389.566 -0.032 20 0 GBADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443526520 1073306246 /nfs/dbraw/zinc/30/62/46/1073306246.db2.gz HQNIATBFIWOSNV-XHSDSOJGSA-N 1 1 389.566 -0.032 20 0 GBADMO NS(=O)(=O)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000443529836 1073307409 /nfs/dbraw/zinc/30/74/09/1073307409.db2.gz NDWHPIJEHBVSHA-INIZCTEOSA-N 1 1 387.550 -0.133 20 0 GBADMO NS(=O)(=O)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000443529839 1073307022 /nfs/dbraw/zinc/30/70/22/1073307022.db2.gz NDWHPIJEHBVSHA-MRXNPFEDSA-N 1 1 387.550 -0.133 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443534574 530392651 /nfs/dbraw/zinc/39/26/51/530392651.db2.gz WMBSLHDYWCJLED-CABCVRRESA-N 1 1 375.539 -0.278 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443534575 530392657 /nfs/dbraw/zinc/39/26/57/530392657.db2.gz WMBSLHDYWCJLED-GJZGRUSLSA-N 1 1 375.539 -0.278 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443534576 530392547 /nfs/dbraw/zinc/39/25/47/530392547.db2.gz WMBSLHDYWCJLED-HUUCEWRRSA-N 1 1 375.539 -0.278 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443534577 530392576 /nfs/dbraw/zinc/39/25/76/530392576.db2.gz WMBSLHDYWCJLED-LSDHHAIUSA-N 1 1 375.539 -0.278 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000443540669 530392476 /nfs/dbraw/zinc/39/24/76/530392476.db2.gz IUDIBLJMHPHOFI-CABCVRRESA-N 1 1 375.539 -0.279 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000443540672 530392414 /nfs/dbraw/zinc/39/24/14/530392414.db2.gz IUDIBLJMHPHOFI-GJZGRUSLSA-N 1 1 375.539 -0.279 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000443540673 530392523 /nfs/dbraw/zinc/39/25/23/530392523.db2.gz IUDIBLJMHPHOFI-HUUCEWRRSA-N 1 1 375.539 -0.279 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000443540675 530392446 /nfs/dbraw/zinc/39/24/46/530392446.db2.gz IUDIBLJMHPHOFI-LSDHHAIUSA-N 1 1 375.539 -0.279 20 0 GBADMO COCCCOC1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000443580428 1073310006 /nfs/dbraw/zinc/31/00/06/1073310006.db2.gz KXWSRICJFMVBCR-KRWDZBQOSA-N 1 1 383.489 -0.036 20 0 GBADMO COCCCOC1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000443580431 1073310432 /nfs/dbraw/zinc/31/04/32/1073310432.db2.gz KXWSRICJFMVBCR-QGZVFWFLSA-N 1 1 383.489 -0.036 20 0 GBADMO CN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC(C)(C)C[NH+]1CCOCC1 ZINC000443642467 1073314854 /nfs/dbraw/zinc/31/48/54/1073314854.db2.gz SCRVQVOSICASSM-UHFFFAOYSA-N 1 1 397.564 -0.491 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000443642467 1073314846 /nfs/dbraw/zinc/31/48/46/1073314846.db2.gz SCRVQVOSICASSM-UHFFFAOYSA-N 1 1 397.564 -0.491 20 0 GBADMO CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC(C)(C)C[NH+]1CCOCC1 ZINC000443644234 1073315126 /nfs/dbraw/zinc/31/51/26/1073315126.db2.gz DQKGMVFHZZZVTN-UHFFFAOYSA-N 1 1 392.566 -0.326 20 0 GBADMO CN(CCCNC(=O)C[N@@H+](C)CC(C)(C)CN1CCOCC1)S(C)(=O)=O ZINC000443644234 1073315122 /nfs/dbraw/zinc/31/51/22/1073315122.db2.gz DQKGMVFHZZZVTN-UHFFFAOYSA-N 1 1 392.566 -0.326 20 0 GBADMO C[C@@H]1C[N@H+](CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000443681943 1073317795 /nfs/dbraw/zinc/31/77/95/1073317795.db2.gz NKGODNCLMDMFTG-OKILXGFUSA-N 1 1 387.506 -0.074 20 0 GBADMO C[C@@H]1C[N@H+](CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)O1 ZINC000443684575 1073317023 /nfs/dbraw/zinc/31/70/23/1073317023.db2.gz TWGXUSMAILLDFI-OKILXGFUSA-N 1 1 387.506 -0.296 20 0 GBADMO COCCOCCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000443715000 530392779 /nfs/dbraw/zinc/39/27/79/530392779.db2.gz ZMNCAZYVPBOPDR-UHFFFAOYSA-N 1 1 377.507 -0.535 20 0 GBADMO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000443719810 1073321700 /nfs/dbraw/zinc/32/17/00/1073321700.db2.gz PULXGODYDYPNMT-UHFFFAOYSA-N 1 1 380.470 -0.032 20 0 GBADMO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000443719810 1073321688 /nfs/dbraw/zinc/32/16/88/1073321688.db2.gz PULXGODYDYPNMT-UHFFFAOYSA-N 1 1 380.470 -0.032 20 0 GBADMO Nc1ncc(Cl)cc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443750715 530113895 /nfs/dbraw/zinc/11/38/95/530113895.db2.gz ALDRDSDLFOHZPR-UHFFFAOYSA-N 1 1 391.925 -0.014 20 0 GBADMO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000443768375 1073340138 /nfs/dbraw/zinc/34/01/38/1073340138.db2.gz FIFLNLKTYNDODY-UHFFFAOYSA-N 1 1 382.486 -0.073 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000443770470 1073340380 /nfs/dbraw/zinc/34/03/80/1073340380.db2.gz JKMCNPFSUIGOQV-KBPBESRZSA-N 1 1 385.490 -0.290 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000443770471 1073340518 /nfs/dbraw/zinc/34/05/18/1073340518.db2.gz JKMCNPFSUIGOQV-KGLIPLIRSA-N 1 1 385.490 -0.290 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000443770472 1073340873 /nfs/dbraw/zinc/34/08/73/1073340873.db2.gz JKMCNPFSUIGOQV-UONOGXRCSA-N 1 1 385.490 -0.290 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000443770473 1073340431 /nfs/dbraw/zinc/34/04/31/1073340431.db2.gz JKMCNPFSUIGOQV-ZIAGYGMSSA-N 1 1 385.490 -0.290 20 0 GBADMO C[C@@H](O)CN(C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@H](C)CO ZINC000443846007 1073377785 /nfs/dbraw/zinc/37/77/85/1073377785.db2.gz YLFLWFNOGFVVMA-CHWSQXEVSA-N 1 1 380.445 -0.285 20 0 GBADMO 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379.461 -0.228 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)C[C@@H]1C ZINC000446727376 1073618849 /nfs/dbraw/zinc/61/88/49/1073618849.db2.gz VJTSMKPIQXSCNN-SOUVJXGZSA-N 1 1 379.461 -0.228 20 0 GBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)C[C@@H]1C ZINC000446727376 1073618845 /nfs/dbraw/zinc/61/88/45/1073618845.db2.gz VJTSMKPIQXSCNN-SOUVJXGZSA-N 1 1 379.461 -0.228 20 0 GBADMO C[N@@H+](CCOCC1CC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446734198 1073650701 /nfs/dbraw/zinc/65/07/01/1073650701.db2.gz CRCNXMONKJKQHE-UHFFFAOYSA-N 1 1 382.505 -0.652 20 0 GBADMO C[N@H+](CCOCC1CC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446734198 1073650683 /nfs/dbraw/zinc/65/06/83/1073650683.db2.gz CRCNXMONKJKQHE-UHFFFAOYSA-N 1 1 382.505 -0.652 20 0 GBADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000446743927 1073619591 /nfs/dbraw/zinc/61/95/91/1073619591.db2.gz HEBCZJHXFGGXCS-INIZCTEOSA-N 1 1 392.504 -0.046 20 0 GBADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000446743929 1073619555 /nfs/dbraw/zinc/61/95/55/1073619555.db2.gz HEBCZJHXFGGXCS-MRXNPFEDSA-N 1 1 392.504 -0.046 20 0 GBADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446744940 1073619763 /nfs/dbraw/zinc/61/97/63/1073619763.db2.gz KRSCTXCJQJYYJG-AWEZNQCLSA-N 1 1 379.461 -0.227 20 0 GBADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446744941 1073619822 /nfs/dbraw/zinc/61/98/22/1073619822.db2.gz KRSCTXCJQJYYJG-CQSZACIVSA-N 1 1 379.461 -0.227 20 0 GBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000446748463 1073619922 /nfs/dbraw/zinc/61/99/22/1073619922.db2.gz PJJSBSLLXNZZGV-AWEZNQCLSA-N 1 1 376.461 -0.052 20 0 GBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000446748464 1073619640 /nfs/dbraw/zinc/61/96/40/1073619640.db2.gz PJJSBSLLXNZZGV-CQSZACIVSA-N 1 1 376.461 -0.052 20 0 GBADMO COC(=O)Cn1cc(CCN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nn1 ZINC000446758728 1073621769 /nfs/dbraw/zinc/62/17/69/1073621769.db2.gz CDKGQAWNUFRBOK-UHFFFAOYSA-N 1 1 378.477 -0.376 20 0 GBADMO COC(=O)Cn1cc(CCN2CCC[N@H+](CC(=O)N3CCCC3)CC2)nn1 ZINC000446758728 1073621766 /nfs/dbraw/zinc/62/17/66/1073621766.db2.gz CDKGQAWNUFRBOK-UHFFFAOYSA-N 1 1 378.477 -0.376 20 0 GBADMO COC(=O)Cn1cc(CC[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)nn1 ZINC000446758728 1073621761 /nfs/dbraw/zinc/62/17/61/1073621761.db2.gz CDKGQAWNUFRBOK-UHFFFAOYSA-N 1 1 378.477 -0.376 20 0 GBADMO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+](C)C1CC1 ZINC000446776820 1073621723 /nfs/dbraw/zinc/62/17/23/1073621723.db2.gz MOHWSVLPEVMIRC-AWEZNQCLSA-N 1 1 378.477 -0.247 20 0 GBADMO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@@H+](C)C1CC1 ZINC000446776821 1073621946 /nfs/dbraw/zinc/62/19/46/1073621946.db2.gz MOHWSVLPEVMIRC-CQSZACIVSA-N 1 1 378.477 -0.247 20 0 GBADMO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCOCC1 ZINC000446778636 1073622928 /nfs/dbraw/zinc/62/29/28/1073622928.db2.gz XFJCNGXLIMHMCH-LLVKDONJSA-N 1 1 377.367 0.468 20 0 GBADMO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCOCC1 ZINC000446778639 1073622756 /nfs/dbraw/zinc/62/27/56/1073622756.db2.gz XFJCNGXLIMHMCH-NSHDSACASA-N 1 1 377.367 0.468 20 0 GBADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000446779627 1073623756 /nfs/dbraw/zinc/62/37/56/1073623756.db2.gz ALLSCFDSJRPUOW-KBPBESRZSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000446779627 1073623751 /nfs/dbraw/zinc/62/37/51/1073623751.db2.gz ALLSCFDSJRPUOW-KBPBESRZSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000446779628 1073623989 /nfs/dbraw/zinc/62/39/89/1073623989.db2.gz ALLSCFDSJRPUOW-KGLIPLIRSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000446779628 1073623984 /nfs/dbraw/zinc/62/39/84/1073623984.db2.gz ALLSCFDSJRPUOW-KGLIPLIRSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000446779629 1073623808 /nfs/dbraw/zinc/62/38/08/1073623808.db2.gz ALLSCFDSJRPUOW-UONOGXRCSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000446779629 1073623803 /nfs/dbraw/zinc/62/38/03/1073623803.db2.gz ALLSCFDSJRPUOW-UONOGXRCSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000446779630 1073623563 /nfs/dbraw/zinc/62/35/63/1073623563.db2.gz ALLSCFDSJRPUOW-ZIAGYGMSSA-N 1 1 397.501 -0.020 20 0 GBADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000446779630 1073623560 /nfs/dbraw/zinc/62/35/60/1073623560.db2.gz ALLSCFDSJRPUOW-ZIAGYGMSSA-N 1 1 397.501 -0.020 20 0 GBADMO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000446780561 1073623625 /nfs/dbraw/zinc/62/36/25/1073623625.db2.gz LMIAOFAKXKKWFJ-AWEZNQCLSA-N 1 1 376.461 -0.493 20 0 GBADMO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000446780562 1073623936 /nfs/dbraw/zinc/62/39/36/1073623936.db2.gz LMIAOFAKXKKWFJ-CQSZACIVSA-N 1 1 376.461 -0.493 20 0 GBADMO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000446789828 1073621532 /nfs/dbraw/zinc/62/15/32/1073621532.db2.gz JYAOWPNCGWJMQD-UHFFFAOYSA-N 1 1 390.488 -0.150 20 0 GBADMO O=C(NC[C@H](O)CO)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000446795935 1073622583 /nfs/dbraw/zinc/62/25/83/1073622583.db2.gz PLFBCRSOAASLHF-INIZCTEOSA-N 1 1 390.440 -0.619 20 0 GBADMO O=C(NC[C@@H](O)CO)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000446795937 1073622770 /nfs/dbraw/zinc/62/27/70/1073622770.db2.gz PLFBCRSOAASLHF-MRXNPFEDSA-N 1 1 390.440 -0.619 20 0 GBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446797772 1073622968 /nfs/dbraw/zinc/62/29/68/1073622968.db2.gz ZOOVVOHFOFLAFE-CABCVRRESA-N 1 1 379.461 -0.227 20 0 GBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446797773 1073622881 /nfs/dbraw/zinc/62/28/81/1073622881.db2.gz ZOOVVOHFOFLAFE-GJZGRUSLSA-N 1 1 379.461 -0.227 20 0 GBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446797774 1073622956 /nfs/dbraw/zinc/62/29/56/1073622956.db2.gz ZOOVVOHFOFLAFE-HUUCEWRRSA-N 1 1 379.461 -0.227 20 0 GBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446797775 1073622784 /nfs/dbraw/zinc/62/27/84/1073622784.db2.gz ZOOVVOHFOFLAFE-LSDHHAIUSA-N 1 1 379.461 -0.227 20 0 GBADMO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000446808764 1073625571 /nfs/dbraw/zinc/62/55/71/1073625571.db2.gz NEIMLJOVNJTBHJ-CVEARBPZSA-N 1 1 392.456 -0.739 20 0 GBADMO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000446808766 1073625647 /nfs/dbraw/zinc/62/56/47/1073625647.db2.gz NEIMLJOVNJTBHJ-HOTGVXAUSA-N 1 1 392.456 -0.739 20 0 GBADMO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000446808768 1073625314 /nfs/dbraw/zinc/62/53/14/1073625314.db2.gz NEIMLJOVNJTBHJ-HZPDHXFCSA-N 1 1 392.456 -0.739 20 0 GBADMO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000446808769 1073625691 /nfs/dbraw/zinc/62/56/91/1073625691.db2.gz NEIMLJOVNJTBHJ-JKSUJKDBSA-N 1 1 392.456 -0.739 20 0 GBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cn1 ZINC000446810952 1073623569 /nfs/dbraw/zinc/62/35/69/1073623569.db2.gz UEAJBVVOQZOCPC-UHFFFAOYSA-N 1 1 385.428 -0.380 20 0 GBADMO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446854095 1073626623 /nfs/dbraw/zinc/62/66/23/1073626623.db2.gz VDDHXKVKRDXCCY-GDBMZVCRSA-N 1 1 396.513 -0.097 20 0 GBADMO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446854096 1073626576 /nfs/dbraw/zinc/62/65/76/1073626576.db2.gz VDDHXKVKRDXCCY-GOEBONIOSA-N 1 1 396.513 -0.097 20 0 GBADMO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446854097 1073626478 /nfs/dbraw/zinc/62/64/78/1073626478.db2.gz VDDHXKVKRDXCCY-HOCLYGCPSA-N 1 1 396.513 -0.097 20 0 GBADMO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446854098 1073626400 /nfs/dbraw/zinc/62/64/00/1073626400.db2.gz VDDHXKVKRDXCCY-ZBFHGGJFSA-N 1 1 396.513 -0.097 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855206 1073627609 /nfs/dbraw/zinc/62/76/09/1073627609.db2.gz ACYFLLWBPCZFJG-DZGCQCFKSA-N 1 1 382.486 -0.488 20 0 GBADMO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855209 1073627626 /nfs/dbraw/zinc/62/76/26/1073627626.db2.gz ACYFLLWBPCZFJG-HIFRSBDPSA-N 1 1 382.486 -0.488 20 0 GBADMO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855210 1073627381 /nfs/dbraw/zinc/62/73/81/1073627381.db2.gz ACYFLLWBPCZFJG-UKRRQHHQSA-N 1 1 382.486 -0.488 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855212 1073627398 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GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000451668447 530401052 /nfs/dbraw/zinc/40/10/52/530401052.db2.gz VUAOEQUFBXYSIS-GFCCVEGCSA-N 1 1 377.488 -0.541 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000451668447 530401049 /nfs/dbraw/zinc/40/10/49/530401049.db2.gz VUAOEQUFBXYSIS-GFCCVEGCSA-N 1 1 377.488 -0.541 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000451668450 530401137 /nfs/dbraw/zinc/40/11/37/530401137.db2.gz VUAOEQUFBXYSIS-LBPRGKRZSA-N 1 1 377.488 -0.541 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000451668450 530401135 /nfs/dbraw/zinc/40/11/35/530401135.db2.gz VUAOEQUFBXYSIS-LBPRGKRZSA-N 1 1 377.488 -0.541 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCCC[N@H+]3CCO)cnc21 ZINC000451670704 1073778248 /nfs/dbraw/zinc/77/82/48/1073778248.db2.gz PCIOLMRNJWTZAU-LLVKDONJSA-N 1 1 397.457 -0.841 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCCC[N@@H+]3CCO)cnc21 ZINC000451670704 1073778243 /nfs/dbraw/zinc/77/82/43/1073778243.db2.gz PCIOLMRNJWTZAU-LLVKDONJSA-N 1 1 397.457 -0.841 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCC[N@H+]3CCO)cnc21 ZINC000451670710 1073777765 /nfs/dbraw/zinc/77/77/65/1073777765.db2.gz PCIOLMRNJWTZAU-NSHDSACASA-N 1 1 397.457 -0.841 20 0 GBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cnc21 ZINC000451670710 1073777762 /nfs/dbraw/zinc/77/77/62/1073777762.db2.gz PCIOLMRNJWTZAU-NSHDSACASA-N 1 1 397.457 -0.841 20 0 GBADMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C[C@H]1O ZINC000451747761 1073780439 /nfs/dbraw/zinc/78/04/39/1073780439.db2.gz GLIKWQYBDATPHT-IAGOWNOFSA-N 1 1 394.447 -0.400 20 0 GBADMO CO[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C[C@H]1O ZINC000451747761 1073780428 /nfs/dbraw/zinc/78/04/28/1073780428.db2.gz GLIKWQYBDATPHT-IAGOWNOFSA-N 1 1 394.447 -0.400 20 0 GBADMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000451749504 1073780670 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C[C@@H]1CN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)C[C@H](C)[N@H+]1CCO ZINC000453932117 1073883886 /nfs/dbraw/zinc/88/38/86/1073883886.db2.gz KHBGTXHETMEHFG-AOOOYVTPSA-N 1 1 375.376 -0.127 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[C@H](C)[N@@H+]1CCO ZINC000453932962 1073885463 /nfs/dbraw/zinc/88/54/63/1073885463.db2.gz LCNZOUUJPMLPOW-BETUJISGSA-N 1 1 389.456 -0.271 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[C@H](C)[N@H+]1CCO ZINC000453932962 1073885447 /nfs/dbraw/zinc/88/54/47/1073885447.db2.gz LCNZOUUJPMLPOW-BETUJISGSA-N 1 1 389.456 -0.271 20 0 GBADMO COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453933205 1073885725 /nfs/dbraw/zinc/88/57/25/1073885725.db2.gz LUNWRNCWVHOCMJ-TXEJJXNPSA-N 1 1 378.429 -0.354 20 0 GBADMO COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453933205 1073885711 /nfs/dbraw/zinc/88/57/11/1073885711.db2.gz LUNWRNCWVHOCMJ-TXEJJXNPSA-N 1 1 378.429 -0.354 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)[N@@H+]1CCO ZINC000453933909 1073884733 /nfs/dbraw/zinc/88/47/33/1073884733.db2.gz LVFGZAWHVIEYNE-BETUJISGSA-N 1 1 390.440 -0.106 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)[N@H+]1CCO ZINC000453933909 1073884724 /nfs/dbraw/zinc/88/47/24/1073884724.db2.gz LVFGZAWHVIEYNE-BETUJISGSA-N 1 1 390.440 -0.106 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000453933933 1073884658 /nfs/dbraw/zinc/88/46/58/1073884658.db2.gz LXVVQNLLIXZPDH-BETUJISGSA-N 1 1 398.485 -0.553 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000453933933 1073884651 /nfs/dbraw/zinc/88/46/51/1073884651.db2.gz LXVVQNLLIXZPDH-BETUJISGSA-N 1 1 398.485 -0.553 20 0 GBADMO COCCCn1cc(C)c(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC000453940897 1073888638 /nfs/dbraw/zinc/88/86/38/1073888638.db2.gz RQWKMLMNLYZAOO-GASCZTMLSA-N 1 1 381.477 0.080 20 0 GBADMO COCCCn1cc(C)c(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000453940897 1073888631 /nfs/dbraw/zinc/88/86/31/1073888631.db2.gz RQWKMLMNLYZAOO-GASCZTMLSA-N 1 1 381.477 0.080 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)[N@@H+]1CCO ZINC000453943411 1073891324 /nfs/dbraw/zinc/89/13/24/1073891324.db2.gz UNEBMTTYXUZEJT-OKILXGFUSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)[N@H+]1CCO ZINC000453943411 1073891319 /nfs/dbraw/zinc/89/13/19/1073891319.db2.gz UNEBMTTYXUZEJT-OKILXGFUSA-N 1 1 392.456 -0.207 20 0 GBADMO COCCOc1ncccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453943505 1073891399 /nfs/dbraw/zinc/89/13/99/1073891399.db2.gz USMPWIHPAOPZBC-OKILXGFUSA-N 1 1 380.445 -0.041 20 0 GBADMO COCCOc1ncccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453943505 1073891389 /nfs/dbraw/zinc/89/13/89/1073891389.db2.gz USMPWIHPAOPZBC-OKILXGFUSA-N 1 1 380.445 -0.041 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2oc(=O)n3C)C[C@H](C)[N@@H+]1CCO ZINC000453944398 1073892410 /nfs/dbraw/zinc/89/24/10/1073892410.db2.gz VGKMJHKUQLLINR-TXEJJXNPSA-N 1 1 376.413 -0.017 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2oc(=O)n3C)C[C@H](C)[N@H+]1CCO ZINC000453944398 1073892405 /nfs/dbraw/zinc/89/24/05/1073892405.db2.gz VGKMJHKUQLLINR-TXEJJXNPSA-N 1 1 376.413 -0.017 20 0 GBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453946813 1073892595 /nfs/dbraw/zinc/89/25/95/1073892595.db2.gz XBFZINUKCWQLQQ-TXEJJXNPSA-N 1 1 381.433 -0.551 20 0 GBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453946813 1073892585 /nfs/dbraw/zinc/89/25/85/1073892585.db2.gz XBFZINUKCWQLQQ-TXEJJXNPSA-N 1 1 381.433 -0.551 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[C@H](C)[N@@H+]1CCO ZINC000453947780 1073893505 /nfs/dbraw/zinc/89/35/05/1073893505.db2.gz YDARUAFCGSFZJG-OKILXGFUSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[C@H](C)[N@H+]1CCO ZINC000453947780 1073893497 /nfs/dbraw/zinc/89/34/97/1073893497.db2.gz YDARUAFCGSFZJG-OKILXGFUSA-N 1 1 392.456 -0.207 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@H](C)[N@@H+]1CCO ZINC000453947911 1073893589 /nfs/dbraw/zinc/89/35/89/1073893589.db2.gz YOSIAGLXJMIETO-TXEJJXNPSA-N 1 1 376.413 -0.131 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@H](C)[N@H+]1CCO ZINC000453947911 1073893580 /nfs/dbraw/zinc/89/35/80/1073893580.db2.gz YOSIAGLXJMIETO-TXEJJXNPSA-N 1 1 376.413 -0.131 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)S(N)(=O)=O ZINC000453948776 1073893755 /nfs/dbraw/zinc/89/37/55/1073893755.db2.gz JICSQDXXOQKKJJ-CABCVRRESA-N 1 1 396.513 -0.240 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)S(N)(=O)=O ZINC000453948781 1073893336 /nfs/dbraw/zinc/89/33/36/1073893336.db2.gz JICSQDXXOQKKJJ-GJZGRUSLSA-N 1 1 396.513 -0.240 20 0 GBADMO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)S(N)(=O)=O ZINC000453948785 1073893257 /nfs/dbraw/zinc/89/32/57/1073893257.db2.gz JICSQDXXOQKKJJ-HUUCEWRRSA-N 1 1 396.513 -0.240 20 0 GBADMO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)S(N)(=O)=O ZINC000453948789 1073893137 /nfs/dbraw/zinc/89/31/37/1073893137.db2.gz JICSQDXXOQKKJJ-LSDHHAIUSA-N 1 1 396.513 -0.240 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453949677 1073894428 /nfs/dbraw/zinc/89/44/28/1073894428.db2.gz ZZIVCWHMIFHGHM-TXEJJXNPSA-N 1 1 380.449 -0.597 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453949677 1073894413 /nfs/dbraw/zinc/89/44/13/1073894413.db2.gz ZZIVCWHMIFHGHM-TXEJJXNPSA-N 1 1 380.449 -0.597 20 0 GBADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000453953377 1073898595 /nfs/dbraw/zinc/89/85/95/1073898595.db2.gz BNDBSUKENVLHIE-HNNXBMFYSA-N 1 1 388.472 -0.101 20 0 GBADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000453953377 1073898586 /nfs/dbraw/zinc/89/85/86/1073898586.db2.gz BNDBSUKENVLHIE-HNNXBMFYSA-N 1 1 388.472 -0.101 20 0 GBADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000453953378 1073898570 /nfs/dbraw/zinc/89/85/70/1073898570.db2.gz BNDBSUKENVLHIE-OAHLLOKOSA-N 1 1 388.472 -0.101 20 0 GBADMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000453953378 1073898561 /nfs/dbraw/zinc/89/85/61/1073898561.db2.gz BNDBSUKENVLHIE-OAHLLOKOSA-N 1 1 388.472 -0.101 20 0 GBADMO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000453972644 1073918274 /nfs/dbraw/zinc/91/82/74/1073918274.db2.gz UKRVDJHEJLPQPD-IAGOWNOFSA-N 1 1 377.441 -0.282 20 0 GBADMO CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)C[C@H]1O ZINC000453973794 1073918486 /nfs/dbraw/zinc/91/84/86/1073918486.db2.gz XTCWABQDDUOIJB-IAGOWNOFSA-N 1 1 376.457 -0.409 20 0 GBADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000453973856 1073918236 /nfs/dbraw/zinc/91/82/36/1073918236.db2.gz MPADSWDVPDXAKY-HNNXBMFYSA-N 1 1 389.456 -0.217 20 0 GBADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000453973856 1073918226 /nfs/dbraw/zinc/91/82/26/1073918226.db2.gz MPADSWDVPDXAKY-HNNXBMFYSA-N 1 1 389.456 -0.217 20 0 GBADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000453973868 1073918189 /nfs/dbraw/zinc/91/81/89/1073918189.db2.gz MPADSWDVPDXAKY-OAHLLOKOSA-N 1 1 389.456 -0.217 20 0 GBADMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000453973868 1073918185 /nfs/dbraw/zinc/91/81/85/1073918185.db2.gz MPADSWDVPDXAKY-OAHLLOKOSA-N 1 1 389.456 -0.217 20 0 GBADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000453974785 1073918372 /nfs/dbraw/zinc/91/83/72/1073918372.db2.gz NDTOHLDGKALZMA-HNNXBMFYSA-N 1 1 394.476 -0.473 20 0 GBADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000453974785 1073918363 /nfs/dbraw/zinc/91/83/63/1073918363.db2.gz NDTOHLDGKALZMA-HNNXBMFYSA-N 1 1 394.476 -0.473 20 0 GBADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000453974786 1073918470 /nfs/dbraw/zinc/91/84/70/1073918470.db2.gz NDTOHLDGKALZMA-OAHLLOKOSA-N 1 1 394.476 -0.473 20 0 GBADMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000453974786 1073918466 /nfs/dbraw/zinc/91/84/66/1073918466.db2.gz NDTOHLDGKALZMA-OAHLLOKOSA-N 1 1 394.476 -0.473 20 0 GBADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000453976790 1073919389 /nfs/dbraw/zinc/91/93/89/1073919389.db2.gz ONNRIWFNCMUESP-INIZCTEOSA-N 1 1 392.504 0.097 20 0 GBADMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000453976790 1073919383 /nfs/dbraw/zinc/91/93/83/1073919383.db2.gz ONNRIWFNCMUESP-INIZCTEOSA-N 1 1 392.504 0.097 20 0 GBADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000453976798 1073919301 /nfs/dbraw/zinc/91/93/01/1073919301.db2.gz ONNRIWFNCMUESP-MRXNPFEDSA-N 1 1 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PTYMRANVPJCRLP-GOSISDBHSA-N 1 1 381.429 -0.628 20 0 GBADMO COc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1OCC(N)=O ZINC000467503856 1073576424 /nfs/dbraw/zinc/57/64/24/1073576424.db2.gz PTYMRANVPJCRLP-SFHVURJKSA-N 1 1 381.429 -0.628 20 0 GBADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000467509668 530412254 /nfs/dbraw/zinc/41/22/54/530412254.db2.gz HDMPOBMDSJWDTH-DOMZBBRYSA-N 1 1 391.515 -0.386 20 0 GBADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000467509676 530412268 /nfs/dbraw/zinc/41/22/68/530412268.db2.gz HDMPOBMDSJWDTH-IUODEOHRSA-N 1 1 391.515 -0.386 20 0 GBADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000467509677 530412541 /nfs/dbraw/zinc/41/25/41/530412541.db2.gz HDMPOBMDSJWDTH-SWLSCSKDSA-N 1 1 391.515 -0.386 20 0 GBADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000467509678 530412356 /nfs/dbraw/zinc/41/23/56/530412356.db2.gz HDMPOBMDSJWDTH-WFASDCNBSA-N 1 1 391.515 -0.386 20 0 GBADMO 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OZLYGTLRWYLHCC-AWEZNQCLSA-N 1 1 377.507 -0.105 20 0 GBADMO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)CC1 ZINC000469008003 530413970 /nfs/dbraw/zinc/41/39/70/530413970.db2.gz OZLYGTLRWYLHCC-CQSZACIVSA-N 1 1 377.507 -0.105 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000469077666 530414181 /nfs/dbraw/zinc/41/41/81/530414181.db2.gz YOIRUCGKWZEKSJ-GASCZTMLSA-N 1 1 379.523 -0.102 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000469077666 530414178 /nfs/dbraw/zinc/41/41/78/530414178.db2.gz YOIRUCGKWZEKSJ-GASCZTMLSA-N 1 1 379.523 -0.102 20 0 GBADMO COCCN1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1=O ZINC000469170198 1072326490 /nfs/dbraw/zinc/32/64/90/1072326490.db2.gz LXGOSNDRALYODI-UHFFFAOYSA-N 1 1 399.536 -0.733 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc1 ZINC000469282249 530414602 /nfs/dbraw/zinc/41/46/02/530414602.db2.gz KOWVWYQMWNANFW-CYBMUJFWSA-N 1 1 391.515 -0.328 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1 ZINC000469282249 530414600 /nfs/dbraw/zinc/41/46/00/530414600.db2.gz KOWVWYQMWNANFW-CYBMUJFWSA-N 1 1 391.515 -0.328 20 0 GBADMO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2C)s1 ZINC000469284570 530414454 /nfs/dbraw/zinc/41/44/54/530414454.db2.gz ZKTHKXRFHVHSQG-LLVKDONJSA-N 1 1 388.515 -0.175 20 0 GBADMO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2C)s1 ZINC000469284570 530414452 /nfs/dbraw/zinc/41/44/52/530414452.db2.gz ZKTHKXRFHVHSQG-LLVKDONJSA-N 1 1 388.515 -0.175 20 0 GBADMO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2C)s1 ZINC000469284630 530414471 /nfs/dbraw/zinc/41/44/71/530414471.db2.gz ZKTHKXRFHVHSQG-NSHDSACASA-N 1 1 388.515 -0.175 20 0 GBADMO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000469284630 530414469 /nfs/dbraw/zinc/41/44/69/530414469.db2.gz ZKTHKXRFHVHSQG-NSHDSACASA-N 1 1 388.515 -0.175 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1 ZINC000469284675 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398.595 -0.349 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@H+]1CCSC[C@@H]1CCO)S(C)(=O)=O ZINC000470224299 530416149 /nfs/dbraw/zinc/41/61/49/530416149.db2.gz QYZSYUQSIUCTRR-AWEZNQCLSA-N 1 1 381.564 -0.038 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@@H+]1CCSC[C@@H]1CCO)S(C)(=O)=O ZINC000470224299 530416148 /nfs/dbraw/zinc/41/61/48/530416148.db2.gz QYZSYUQSIUCTRR-AWEZNQCLSA-N 1 1 381.564 -0.038 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@H+]1CCSC[C@H]1CCO)S(C)(=O)=O ZINC000470224300 530415756 /nfs/dbraw/zinc/41/57/56/530415756.db2.gz QYZSYUQSIUCTRR-CQSZACIVSA-N 1 1 381.564 -0.038 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@@H+]1CCSC[C@H]1CCO)S(C)(=O)=O ZINC000470224300 530415753 /nfs/dbraw/zinc/41/57/53/530415753.db2.gz QYZSYUQSIUCTRR-CQSZACIVSA-N 1 1 381.564 -0.038 20 0 GBADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000470546449 530415963 /nfs/dbraw/zinc/41/59/63/530415963.db2.gz LUZYCCXGUWFZSK-AWEZNQCLSA-N 1 1 376.523 -0.379 20 0 GBADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000470546450 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YJGYREVUNSXLBK-OAHLLOKOSA-N 1 1 391.476 -0.587 20 0 GBADMO CCN1CC[NH+](CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000471751904 1072182328 /nfs/dbraw/zinc/18/23/28/1072182328.db2.gz VOLYJCDIVHWVNH-ZWKOTPCHSA-N 1 1 392.504 -0.538 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000471755652 1072182909 /nfs/dbraw/zinc/18/29/09/1072182909.db2.gz GYHVFMXGXGNGFH-HNNXBMFYSA-N 1 1 392.456 -0.190 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000471755653 1072183475 /nfs/dbraw/zinc/18/34/75/1072183475.db2.gz GYHVFMXGXGNGFH-OAHLLOKOSA-N 1 1 392.456 -0.190 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000471755803 1072183203 /nfs/dbraw/zinc/18/32/03/1072183203.db2.gz FKTXSBNCMNOOFK-WHENESEISA-N 1 1 380.445 -0.149 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000471755809 1072183458 /nfs/dbraw/zinc/18/34/58/1072183458.db2.gz FKTXSBNCMNOOFK-ZVLZOBCMSA-N 1 1 380.445 -0.149 20 0 GBADMO 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COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000471770665 1072187505 /nfs/dbraw/zinc/18/75/05/1072187505.db2.gz OAIXEOLSHBYXCG-CQSZACIVSA-N 1 1 375.429 -0.018 20 0 GBADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000471874573 1072219860 /nfs/dbraw/zinc/21/98/60/1072219860.db2.gz RYPCLGFDWPJPRP-AWEZNQCLSA-N 1 1 390.506 -0.645 20 0 GBADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000471874578 1072219730 /nfs/dbraw/zinc/21/97/30/1072219730.db2.gz RYPCLGFDWPJPRP-CQSZACIVSA-N 1 1 390.506 -0.645 20 0 GBADMO COC(=O)C1CCN(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000471892955 1072227069 /nfs/dbraw/zinc/22/70/69/1072227069.db2.gz NOISQSXSNJRCKU-UHFFFAOYSA-N 1 1 390.506 -0.788 20 0 GBADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000471942038 1072243536 /nfs/dbraw/zinc/24/35/36/1072243536.db2.gz IIYVEYBNODLSSM-CYBMUJFWSA-N 1 1 386.456 -0.039 20 0 GBADMO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000471942041 1072243576 /nfs/dbraw/zinc/24/35/76/1072243576.db2.gz IIYVEYBNODLSSM-ZDUSSCGKSA-N 1 1 386.456 -0.039 20 0 GBADMO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472028280 1072287278 /nfs/dbraw/zinc/28/72/78/1072287278.db2.gz VJMHWUOTHWHMKH-BEFAXECRSA-N 1 1 378.473 -0.389 20 0 GBADMO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472028281 1072287431 /nfs/dbraw/zinc/28/74/31/1072287431.db2.gz VJMHWUOTHWHMKH-DNVCBOLYSA-N 1 1 378.473 -0.389 20 0 GBADMO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472028282 1072287569 /nfs/dbraw/zinc/28/75/69/1072287569.db2.gz VJMHWUOTHWHMKH-HNAYVOBHSA-N 1 1 378.473 -0.389 20 0 GBADMO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472028283 1072287375 /nfs/dbraw/zinc/28/73/75/1072287375.db2.gz VJMHWUOTHWHMKH-KXBFYZLASA-N 1 1 378.473 -0.389 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 ZINC000472043990 1072290875 /nfs/dbraw/zinc/29/08/75/1072290875.db2.gz KYLJGBQWYAZZSS-GFCCVEGCSA-N 1 1 375.429 -0.031 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 ZINC000472043991 1072290491 /nfs/dbraw/zinc/29/04/91/1072290491.db2.gz KYLJGBQWYAZZSS-LBPRGKRZSA-N 1 1 375.429 -0.031 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000472054999 1072291582 /nfs/dbraw/zinc/29/15/82/1072291582.db2.gz XQUGOGUGWMBRTK-AWEZNQCLSA-N 1 1 398.485 -0.202 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000472055000 1072291686 /nfs/dbraw/zinc/29/16/86/1072291686.db2.gz XQUGOGUGWMBRTK-CQSZACIVSA-N 1 1 398.485 -0.202 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000472065248 1072292364 /nfs/dbraw/zinc/29/23/64/1072292364.db2.gz WEBHEELLPCRBRG-GFCCVEGCSA-N 1 1 376.417 -0.774 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000472065249 1072292428 /nfs/dbraw/zinc/29/24/28/1072292428.db2.gz WEBHEELLPCRBRG-LBPRGKRZSA-N 1 1 376.417 -0.774 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000472069451 530417336 /nfs/dbraw/zinc/41/73/36/530417336.db2.gz JWIGJXPIEOSNTN-CYBMUJFWSA-N 1 1 375.491 -0.246 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000472069452 530417253 /nfs/dbraw/zinc/41/72/53/530417253.db2.gz JWIGJXPIEOSNTN-ZDUSSCGKSA-N 1 1 375.491 -0.246 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 ZINC000472070934 1072293483 /nfs/dbraw/zinc/29/34/83/1072293483.db2.gz XGIMZKBNFPQANK-LLVKDONJSA-N 1 1 377.405 -0.117 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 ZINC000472070935 1072293838 /nfs/dbraw/zinc/29/38/38/1072293838.db2.gz XGIMZKBNFPQANK-NSHDSACASA-N 1 1 377.405 -0.117 20 0 GBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000472096404 1072297892 /nfs/dbraw/zinc/29/78/92/1072297892.db2.gz URAKYCISTATEIX-HNNXBMFYSA-N 1 1 383.518 -0.156 20 0 GBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000472096405 1072297826 /nfs/dbraw/zinc/29/78/26/1072297826.db2.gz URAKYCISTATEIX-OAHLLOKOSA-N 1 1 383.518 -0.156 20 0 GBADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146413 1072308401 /nfs/dbraw/zinc/30/84/01/1072308401.db2.gz WOOOEZNTQMOFFF-RRQGHBQHSA-N 1 1 379.461 -0.455 20 0 GBADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146414 1072308296 /nfs/dbraw/zinc/30/82/96/1072308296.db2.gz WOOOEZNTQMOFFF-XOKHGSTOSA-N 1 1 379.461 -0.455 20 0 GBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CCCCO)CC1 ZINC000472184863 1072320270 /nfs/dbraw/zinc/32/02/70/1072320270.db2.gz CGARPXPRUFLSOQ-UHFFFAOYSA-N 1 1 388.490 -0.171 20 0 GBADMO CC(=O)NCC(=O)NCC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000472204219 1072328762 /nfs/dbraw/zinc/32/87/62/1072328762.db2.gz IJDWGKRUXZEJLG-UHFFFAOYSA-N 1 1 389.456 -0.806 20 0 GBADMO CC(=O)N[C@@H](CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1)C(N)=O ZINC000472208782 1072334418 /nfs/dbraw/zinc/33/44/18/1072334418.db2.gz VAVFUXMMIHHZCI-INIZCTEOSA-N 1 1 389.456 -0.678 20 0 GBADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cn(CC(N)=O)nn3)c2)CC1 ZINC000472224268 1072351381 /nfs/dbraw/zinc/35/13/81/1072351381.db2.gz MSBVHNKKUFCNTK-UHFFFAOYSA-N 1 1 385.428 -0.668 20 0 GBADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000472256601 530417387 /nfs/dbraw/zinc/41/73/87/530417387.db2.gz KWULTKGBDUVOIU-KBPBESRZSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000472256601 530417385 /nfs/dbraw/zinc/41/73/85/530417385.db2.gz KWULTKGBDUVOIU-KBPBESRZSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000472256603 530417291 /nfs/dbraw/zinc/41/72/91/530417291.db2.gz KWULTKGBDUVOIU-KGLIPLIRSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000472256603 530417289 /nfs/dbraw/zinc/41/72/89/530417289.db2.gz KWULTKGBDUVOIU-KGLIPLIRSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000472256605 530417808 /nfs/dbraw/zinc/41/78/08/530417808.db2.gz KWULTKGBDUVOIU-UONOGXRCSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000472256605 530417807 /nfs/dbraw/zinc/41/78/07/530417807.db2.gz KWULTKGBDUVOIU-UONOGXRCSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000472256606 530417558 /nfs/dbraw/zinc/41/75/58/530417558.db2.gz KWULTKGBDUVOIU-ZIAGYGMSSA-N 1 1 375.491 -0.211 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000472256606 530417557 /nfs/dbraw/zinc/41/75/57/530417557.db2.gz KWULTKGBDUVOIU-ZIAGYGMSSA-N 1 1 375.491 -0.211 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1)S(C)(=O)=O ZINC000472270261 530417767 /nfs/dbraw/zinc/41/77/67/530417767.db2.gz WAVZWJBSMJBBKS-AWEZNQCLSA-N 1 1 376.523 -0.250 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1)S(C)(=O)=O ZINC000472270262 530417713 /nfs/dbraw/zinc/41/77/13/530417713.db2.gz WAVZWJBSMJBBKS-CQSZACIVSA-N 1 1 376.523 -0.250 20 0 GBADMO NC(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000472271450 1072412087 /nfs/dbraw/zinc/41/20/87/1072412087.db2.gz BLYQPIWWSBOQHS-GFCCVEGCSA-N 1 1 380.470 -0.190 20 0 GBADMO NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000472271452 1072412143 /nfs/dbraw/zinc/41/21/43/1072412143.db2.gz BLYQPIWWSBOQHS-LBPRGKRZSA-N 1 1 380.470 -0.190 20 0 GBADMO NC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472274981 1072424717 /nfs/dbraw/zinc/42/47/17/1072424717.db2.gz JCJKEWVWVJCVLH-HNNXBMFYSA-N 1 1 396.513 -0.030 20 0 GBADMO NC(=O)C[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472274982 1072423835 /nfs/dbraw/zinc/42/38/35/1072423835.db2.gz JCJKEWVWVJCVLH-OAHLLOKOSA-N 1 1 396.513 -0.030 20 0 GBADMO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000472277701 1072427026 /nfs/dbraw/zinc/42/70/26/1072427026.db2.gz NDFYHPVGEFFJSP-GOSISDBHSA-N 1 1 397.564 -0.349 20 0 GBADMO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000472277704 1072427101 /nfs/dbraw/zinc/42/71/01/1072427101.db2.gz NDFYHPVGEFFJSP-SFHVURJKSA-N 1 1 397.564 -0.349 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000472280197 1072433285 /nfs/dbraw/zinc/43/32/85/1072433285.db2.gz QFQFRMYFMCEKSA-DZGCQCFKSA-N 1 1 396.513 -0.031 20 0 GBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000472280201 1072433339 /nfs/dbraw/zinc/43/33/39/1072433339.db2.gz QFQFRMYFMCEKSA-HIFRSBDPSA-N 1 1 396.513 -0.031 20 0 GBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000472280204 1072433469 /nfs/dbraw/zinc/43/34/69/1072433469.db2.gz QFQFRMYFMCEKSA-UKRRQHHQSA-N 1 1 396.513 -0.031 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000472280207 1072433515 /nfs/dbraw/zinc/43/35/15/1072433515.db2.gz QFQFRMYFMCEKSA-ZFWWWQNUSA-N 1 1 396.513 -0.031 20 0 GBADMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472281503 1072436117 /nfs/dbraw/zinc/43/61/17/1072436117.db2.gz VEBWQAGFNAGZEX-HNNXBMFYSA-N 1 1 381.521 -0.367 20 0 GBADMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472281509 1072434901 /nfs/dbraw/zinc/43/49/01/1072434901.db2.gz VEBWQAGFNAGZEX-OAHLLOKOSA-N 1 1 381.521 -0.367 20 0 GBADMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000472345029 1072621388 /nfs/dbraw/zinc/62/13/88/1072621388.db2.gz HEKDWRGGOSBEHC-MSOLQXFVSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000472345029 1072621384 /nfs/dbraw/zinc/62/13/84/1072621384.db2.gz HEKDWRGGOSBEHC-MSOLQXFVSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H](CC)CN1C(C)=O ZINC000472345036 1072621183 /nfs/dbraw/zinc/62/11/83/1072621183.db2.gz HEKDWRGGOSBEHC-QZTJIDSGSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@H](CC)CN1C(C)=O ZINC000472345036 1072621179 /nfs/dbraw/zinc/62/11/79/1072621179.db2.gz HEKDWRGGOSBEHC-QZTJIDSGSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](CC)CN1C(C)=O ZINC000472345037 1072621303 /nfs/dbraw/zinc/62/13/03/1072621303.db2.gz HEKDWRGGOSBEHC-ROUUACIJSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](CC)CN1C(C)=O ZINC000472345037 1072621299 /nfs/dbraw/zinc/62/12/99/1072621299.db2.gz HEKDWRGGOSBEHC-ROUUACIJSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](CC)CN1C(C)=O ZINC000472345038 1072621536 /nfs/dbraw/zinc/62/15/36/1072621536.db2.gz HEKDWRGGOSBEHC-ZWKOTPCHSA-N 1 1 395.548 -0.060 20 0 GBADMO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H](CC)CN1C(C)=O ZINC000472345038 1072621533 /nfs/dbraw/zinc/62/15/33/1072621533.db2.gz HEKDWRGGOSBEHC-ZWKOTPCHSA-N 1 1 395.548 -0.060 20 0 GBADMO CNC(=O)CC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000472458469 1072855313 /nfs/dbraw/zinc/85/53/13/1072855313.db2.gz XKRMZUKVXWCSAK-UHFFFAOYSA-N 1 1 396.513 -0.159 20 0 GBADMO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C[C@H](O)C[NH+]1CCOCC1 ZINC000472458613 1072853295 /nfs/dbraw/zinc/85/32/95/1072853295.db2.gz YGWPHLWTZWFBIL-AWEZNQCLSA-N 1 1 393.423 -0.635 20 0 GBADMO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C[C@@H](O)C[NH+]1CCOCC1 ZINC000472458623 1072852810 /nfs/dbraw/zinc/85/28/10/1072852810.db2.gz YGWPHLWTZWFBIL-CQSZACIVSA-N 1 1 393.423 -0.635 20 0 GBADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504419 1072906292 /nfs/dbraw/zinc/90/62/92/1072906292.db2.gz SVMFIUCAEBSYGK-CABCVRRESA-N 1 1 377.363 -0.199 20 0 GBADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504424 1072906252 /nfs/dbraw/zinc/90/62/52/1072906252.db2.gz SVMFIUCAEBSYGK-GJZGRUSLSA-N 1 1 377.363 -0.199 20 0 GBADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504426 1072906374 /nfs/dbraw/zinc/90/63/74/1072906374.db2.gz SVMFIUCAEBSYGK-HUUCEWRRSA-N 1 1 377.363 -0.199 20 0 GBADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504428 1072906338 /nfs/dbraw/zinc/90/63/38/1072906338.db2.gz SVMFIUCAEBSYGK-LSDHHAIUSA-N 1 1 377.363 -0.199 20 0 GBADMO C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000472530476 1072927392 /nfs/dbraw/zinc/92/73/92/1072927392.db2.gz YTFLOUQUMOLYLW-PBHICJAKSA-N 1 1 388.468 -0.077 20 0 GBADMO C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000472530477 1072927482 /nfs/dbraw/zinc/92/74/82/1072927482.db2.gz YTFLOUQUMOLYLW-RHSMWYFYSA-N 1 1 388.468 -0.077 20 0 GBADMO C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000472530478 1072927528 /nfs/dbraw/zinc/92/75/28/1072927528.db2.gz YTFLOUQUMOLYLW-WMLDXEAASA-N 1 1 388.468 -0.077 20 0 GBADMO C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000472530479 1072927333 /nfs/dbraw/zinc/92/73/33/1072927333.db2.gz YTFLOUQUMOLYLW-YOEHRIQHSA-N 1 1 388.468 -0.077 20 0 GBADMO CC(C)Cc1ncc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000472573604 1072965418 /nfs/dbraw/zinc/96/54/18/1072965418.db2.gz HVJCPQLRFGBADL-UHFFFAOYSA-N 1 1 376.461 -0.106 20 0 GBADMO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472576217 1072967905 /nfs/dbraw/zinc/96/79/05/1072967905.db2.gz AXJQOLRDZQXGCY-AWEZNQCLSA-N 1 1 382.486 -0.186 20 0 GBADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472576218 1072967766 /nfs/dbraw/zinc/96/77/66/1072967766.db2.gz AXJQOLRDZQXGCY-CQSZACIVSA-N 1 1 382.486 -0.186 20 0 GBADMO CC[C@](C)([NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)C(N)=O ZINC000472579289 1072972810 /nfs/dbraw/zinc/97/28/10/1072972810.db2.gz IBFWXKQALXACGE-IBGZPJMESA-N 1 1 387.440 -0.396 20 0 GBADMO CC[C@@](C)([NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)C(N)=O ZINC000472579293 1072973076 /nfs/dbraw/zinc/97/30/76/1072973076.db2.gz IBFWXKQALXACGE-LJQANCHMSA-N 1 1 387.440 -0.396 20 0 GBADMO CC(C)Cc1ncc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000472633507 1073052579 /nfs/dbraw/zinc/05/25/79/1073052579.db2.gz DFBHSMDVWYKXTR-GOSISDBHSA-N 1 1 379.461 -0.187 20 0 GBADMO CC(C)Cc1ncc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000472633509 1073052443 /nfs/dbraw/zinc/05/24/43/1073052443.db2.gz DFBHSMDVWYKXTR-SFHVURJKSA-N 1 1 379.461 -0.187 20 0 GBADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000472699217 1073145754 /nfs/dbraw/zinc/14/57/54/1073145754.db2.gz QFDCIHHXVDWLOU-UHFFFAOYSA-N 1 1 375.429 -0.104 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472741520 530417981 /nfs/dbraw/zinc/41/79/81/530417981.db2.gz TWDIEVKBFKTIOM-HNNXBMFYSA-N 1 1 378.539 -0.527 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472741528 530417964 /nfs/dbraw/zinc/41/79/64/530417964.db2.gz TWDIEVKBFKTIOM-OAHLLOKOSA-N 1 1 378.539 -0.527 20 0 GBADMO CC(C)[NH+]1CCN(CCCN2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000472765984 1073161574 /nfs/dbraw/zinc/16/15/74/1073161574.db2.gz RJSJHXVUDUWLNJ-UHFFFAOYSA-N 1 1 381.565 -0.121 20 0 GBADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768259 1073171211 /nfs/dbraw/zinc/17/12/11/1073171211.db2.gz HSXAKMKQWFRNSO-DZGCQCFKSA-N 1 1 382.486 -0.582 20 0 GBADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768265 1073171248 /nfs/dbraw/zinc/17/12/48/1073171248.db2.gz HSXAKMKQWFRNSO-HIFRSBDPSA-N 1 1 382.486 -0.582 20 0 GBADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768267 1073171227 /nfs/dbraw/zinc/17/12/27/1073171227.db2.gz HSXAKMKQWFRNSO-UKRRQHHQSA-N 1 1 382.486 -0.582 20 0 GBADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768268 1073171119 /nfs/dbraw/zinc/17/11/19/1073171119.db2.gz HSXAKMKQWFRNSO-ZFWWWQNUSA-N 1 1 382.486 -0.582 20 0 GBADMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000472775362 530418125 /nfs/dbraw/zinc/41/81/25/530418125.db2.gz VFRFQQBAIKQBAP-HNNXBMFYSA-N 1 1 399.245 -0.574 20 0 GBADMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000472775362 530418123 /nfs/dbraw/zinc/41/81/23/530418123.db2.gz VFRFQQBAIKQBAP-HNNXBMFYSA-N 1 1 399.245 -0.574 20 0 GBADMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000472775376 530417990 /nfs/dbraw/zinc/41/79/90/530417990.db2.gz VFRFQQBAIKQBAP-OAHLLOKOSA-N 1 1 399.245 -0.574 20 0 GBADMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000472775376 530417988 /nfs/dbraw/zinc/41/79/88/530417988.db2.gz VFRFQQBAIKQBAP-OAHLLOKOSA-N 1 1 399.245 -0.574 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1=O ZINC000472777201 1073184004 /nfs/dbraw/zinc/18/40/04/1073184004.db2.gz YNGXKDRIIUIPGR-CABCVRRESA-N 1 1 383.493 -0.524 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1=O ZINC000472777204 1073184388 /nfs/dbraw/zinc/18/43/88/1073184388.db2.gz YNGXKDRIIUIPGR-GJZGRUSLSA-N 1 1 383.493 -0.524 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1=O ZINC000472777206 1073184030 /nfs/dbraw/zinc/18/40/30/1073184030.db2.gz YNGXKDRIIUIPGR-HUUCEWRRSA-N 1 1 383.493 -0.524 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1=O ZINC000472777207 1073184319 /nfs/dbraw/zinc/18/43/19/1073184319.db2.gz YNGXKDRIIUIPGR-LSDHHAIUSA-N 1 1 383.493 -0.524 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1nnnn1CC1CC1 ZINC000472786775 1073195122 /nfs/dbraw/zinc/19/51/22/1073195122.db2.gz KRAVUFRJBZCBLR-AWEZNQCLSA-N 1 1 378.481 -0.175 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1nnnn1CC1CC1 ZINC000472786776 1073194479 /nfs/dbraw/zinc/19/44/79/1073194479.db2.gz KRAVUFRJBZCBLR-CQSZACIVSA-N 1 1 378.481 -0.175 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2nnnn2CC2CC2)CC1 ZINC000472844139 1073207532 /nfs/dbraw/zinc/20/75/32/1073207532.db2.gz BJOUFRQAINPPJT-UHFFFAOYSA-N 1 1 378.481 -0.127 20 0 GBADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472861001 530418234 /nfs/dbraw/zinc/41/82/34/530418234.db2.gz BLRLTKGLHLUZPA-HNNXBMFYSA-N 1 1 389.861 -0.135 20 0 GBADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472861003 530418111 /nfs/dbraw/zinc/41/81/11/530418111.db2.gz BLRLTKGLHLUZPA-OAHLLOKOSA-N 1 1 389.861 -0.135 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000472895029 1073221217 /nfs/dbraw/zinc/22/12/17/1073221217.db2.gz ATULYSXQPWBIPL-INIZCTEOSA-N 1 1 396.536 -0.608 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000472895030 1073221367 /nfs/dbraw/zinc/22/13/67/1073221367.db2.gz ATULYSXQPWBIPL-MRXNPFEDSA-N 1 1 396.536 -0.608 20 0 GBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000472898399 1073222529 /nfs/dbraw/zinc/22/25/29/1073222529.db2.gz DWFMEMYYCKAEEE-HNNXBMFYSA-N 1 1 398.533 -0.315 20 0 GBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000472898400 1073222101 /nfs/dbraw/zinc/22/21/01/1073222101.db2.gz DWFMEMYYCKAEEE-OAHLLOKOSA-N 1 1 398.533 -0.315 20 0 GBADMO CCN(CCCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000472900453 530418070 /nfs/dbraw/zinc/41/80/70/530418070.db2.gz FEBREXYYAMIWQT-HNNXBMFYSA-N 1 1 377.555 -0.017 20 0 GBADMO CCN(CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000472900454 530418009 /nfs/dbraw/zinc/41/80/09/530418009.db2.gz FEBREXYYAMIWQT-OAHLLOKOSA-N 1 1 377.555 -0.017 20 0 GBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472907579 1073225600 /nfs/dbraw/zinc/22/56/00/1073225600.db2.gz GPKUJEPRPNHVAL-CVEARBPZSA-N 1 1 389.566 -0.017 20 0 GBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472907583 1073225394 /nfs/dbraw/zinc/22/53/94/1073225394.db2.gz GPKUJEPRPNHVAL-HOTGVXAUSA-N 1 1 389.566 -0.017 20 0 GBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472907585 1073225847 /nfs/dbraw/zinc/22/58/47/1073225847.db2.gz GPKUJEPRPNHVAL-HZPDHXFCSA-N 1 1 389.566 -0.017 20 0 GBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472907587 1073225628 /nfs/dbraw/zinc/22/56/28/1073225628.db2.gz GPKUJEPRPNHVAL-JKSUJKDBSA-N 1 1 389.566 -0.017 20 0 GBADMO CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472908762 530418180 /nfs/dbraw/zinc/41/81/80/530418180.db2.gz IYWIZXFTBGSRRI-HNNXBMFYSA-N 1 1 377.555 -0.017 20 0 GBADMO CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472908763 530418243 /nfs/dbraw/zinc/41/82/43/530418243.db2.gz IYWIZXFTBGSRRI-OAHLLOKOSA-N 1 1 377.555 -0.017 20 0 GBADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000472910291 1073224688 /nfs/dbraw/zinc/22/46/88/1073224688.db2.gz AWBRNQGGRUWXMX-INIZCTEOSA-N 1 1 396.536 -0.609 20 0 GBADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000472910292 1073225755 /nfs/dbraw/zinc/22/57/55/1073225755.db2.gz AWBRNQGGRUWXMX-MRXNPFEDSA-N 1 1 396.536 -0.609 20 0 GBADMO CCN(CC)S(=O)(=O)CCNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472912684 530418076 /nfs/dbraw/zinc/41/80/76/530418076.db2.gz CXQUXMBUXDISNK-HNNXBMFYSA-N 1 1 377.555 -0.017 20 0 GBADMO CCN(CC)S(=O)(=O)CCNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472912686 530418059 /nfs/dbraw/zinc/41/80/59/530418059.db2.gz CXQUXMBUXDISNK-OAHLLOKOSA-N 1 1 377.555 -0.017 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472913376 530418153 /nfs/dbraw/zinc/41/81/53/530418153.db2.gz JKFYZIJDQXDFIT-CABCVRRESA-N 1 1 375.539 -0.264 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472913377 530418164 /nfs/dbraw/zinc/41/81/64/530418164.db2.gz JKFYZIJDQXDFIT-GJZGRUSLSA-N 1 1 375.539 -0.264 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472913378 530418100 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387.440 -0.258 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000473478230 1073881130 /nfs/dbraw/zinc/88/11/30/1073881130.db2.gz LLCXDOVQPFCAPP-CYBMUJFWSA-N 1 1 393.492 -0.368 20 0 GBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000473478231 1073881192 /nfs/dbraw/zinc/88/11/92/1073881192.db2.gz LLCXDOVQPFCAPP-ZDUSSCGKSA-N 1 1 393.492 -0.368 20 0 GBADMO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cn1C ZINC000473482358 1073894476 /nfs/dbraw/zinc/89/44/76/1073894476.db2.gz KURNONVKHBLCFQ-CYBMUJFWSA-N 1 1 379.461 -0.108 20 0 GBADMO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cn1C ZINC000473482359 1073894349 /nfs/dbraw/zinc/89/43/49/1073894349.db2.gz KURNONVKHBLCFQ-ZDUSSCGKSA-N 1 1 379.461 -0.108 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000473510639 530418540 /nfs/dbraw/zinc/41/85/40/530418540.db2.gz SWUQJTAGOXNIBT-AWEZNQCLSA-N 1 1 376.523 -0.237 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000473510640 530418527 /nfs/dbraw/zinc/41/85/27/530418527.db2.gz SWUQJTAGOXNIBT-CQSZACIVSA-N 1 1 376.523 -0.237 20 0 GBADMO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000473545487 1072327306 /nfs/dbraw/zinc/32/73/06/1072327306.db2.gz DONWLDLONLFJDR-INIZCTEOSA-N 1 1 390.550 -0.479 20 0 GBADMO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000473545489 1072327185 /nfs/dbraw/zinc/32/71/85/1072327185.db2.gz DONWLDLONLFJDR-MRXNPFEDSA-N 1 1 390.550 -0.479 20 0 GBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)cc2)CC1 ZINC000473626709 1073013857 /nfs/dbraw/zinc/01/38/57/1073013857.db2.gz REKAWQFYYMBUSA-UHFFFAOYSA-N 1 1 397.439 -0.353 20 0 GBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3)cc2)CC1 ZINC000473692773 1073023121 /nfs/dbraw/zinc/02/31/21/1073023121.db2.gz UNARTTVFRIDJRF-MRXNPFEDSA-N 1 1 376.457 -0.156 20 0 GBADMO COCCNC(=O)Cn1cc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cn1 ZINC000473696012 1073022837 /nfs/dbraw/zinc/02/28/37/1073022837.db2.gz NVCRLYZPUWSJIW-HNNXBMFYSA-N 1 1 395.508 -0.207 20 0 GBADMO COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cn1 ZINC000473696016 1073022711 /nfs/dbraw/zinc/02/27/11/1073022711.db2.gz NVCRLYZPUWSJIW-OAHLLOKOSA-N 1 1 395.508 -0.207 20 0 GBADMO O[C@@H]1CC[C@H](CNc2nc(NC[C@H]3CC[C@@H](O)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000473705157 1073023779 /nfs/dbraw/zinc/02/37/79/1073023779.db2.gz JGGGEOAMZSEOSJ-CAOSSQGBSA-N 1 1 392.504 -0.302 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000473716886 1073024994 /nfs/dbraw/zinc/02/49/94/1073024994.db2.gz PKCWCTHULSBZEE-AWEZNQCLSA-N 1 1 397.501 -0.351 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000473716887 1073025133 /nfs/dbraw/zinc/02/51/33/1073025133.db2.gz PKCWCTHULSBZEE-CQSZACIVSA-N 1 1 397.501 -0.351 20 0 GBADMO COCCNc1nc(NC[C@@H]2CC[C@H](O)C2)nc(NC[C@@H]2CC[C@H](O)C2)[nH+]1 ZINC000473717907 1073025430 /nfs/dbraw/zinc/02/54/30/1073025430.db2.gz NCAPNMAOKLFHQC-KBXIAJHMSA-N 1 1 380.493 -0.659 20 0 GBADMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)CC3(CS(C)(=O)=O)CC3)cn2)CC1 ZINC000473727540 1073025339 /nfs/dbraw/zinc/02/53/39/1073025339.db2.gz XOPOJZFOMPMWIY-UHFFFAOYSA-N 1 1 397.501 -0.190 20 0 GBADMO CC[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCOCC1 ZINC000473735666 1073026801 /nfs/dbraw/zinc/02/68/01/1073026801.db2.gz RVUWBBYGDSIEGL-HNNXBMFYSA-N 1 1 383.493 -0.571 20 0 GBADMO CC[C@@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCOCC1 ZINC000473735667 1073027175 /nfs/dbraw/zinc/02/71/75/1073027175.db2.gz RVUWBBYGDSIEGL-OAHLLOKOSA-N 1 1 383.493 -0.571 20 0 GBADMO COCC(=O)N1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473757386 1073030279 /nfs/dbraw/zinc/03/02/79/1073030279.db2.gz RPGMWORIMOTSLH-UHFFFAOYSA-N 1 1 383.493 -0.571 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000473804185 1073034615 /nfs/dbraw/zinc/03/46/15/1073034615.db2.gz FBTVLMWFSPLSHO-UHFFFAOYSA-N 1 1 391.476 -0.211 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000473825607 1073035217 /nfs/dbraw/zinc/03/52/17/1073035217.db2.gz CPSJEFZAGIPTBA-UHFFFAOYSA-N 1 1 379.465 -0.401 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000473880535 1073079924 /nfs/dbraw/zinc/07/99/24/1073079924.db2.gz XFNANZPRFFDZSD-UHFFFAOYSA-N 1 1 389.522 -0.784 20 0 GBADMO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000473926174 1073123488 /nfs/dbraw/zinc/12/34/88/1073123488.db2.gz BQQRUGGFGYOUME-CYBMUJFWSA-N 1 1 383.474 -0.693 20 0 GBADMO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000473926175 1073123791 /nfs/dbraw/zinc/12/37/91/1073123791.db2.gz BQQRUGGFGYOUME-ZDUSSCGKSA-N 1 1 383.474 -0.693 20 0 GBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000473936417 1073126210 /nfs/dbraw/zinc/12/62/10/1073126210.db2.gz IADXKOIEBMQCDX-UHFFFAOYSA-N 1 1 377.493 -0.078 20 0 GBADMO CCN(CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)S(C)(=O)=O ZINC000473938416 1073125999 /nfs/dbraw/zinc/12/59/99/1073125999.db2.gz FACALZQXXPIZIA-UHFFFAOYSA-N 1 1 391.538 -0.537 20 0 GBADMO CCS(=O)(=O)N(C)CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473944074 1073127031 /nfs/dbraw/zinc/12/70/31/1073127031.db2.gz ZYAQOMWWAPOWAO-UHFFFAOYSA-N 1 1 391.538 -0.537 20 0 GBADMO CNC(=O)CN1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473944167 1073126828 /nfs/dbraw/zinc/12/68/28/1073126828.db2.gz IYWIBMWVSNKSEY-UHFFFAOYSA-N 1 1 382.509 -0.998 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000473965012 1073130031 /nfs/dbraw/zinc/13/00/31/1073130031.db2.gz DGQOJUAENHQGHR-GFCCVEGCSA-N 1 1 393.410 -0.045 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000473965013 1073130246 /nfs/dbraw/zinc/13/02/46/1073130246.db2.gz DGQOJUAENHQGHR-LBPRGKRZSA-N 1 1 393.410 -0.045 20 0 GBADMO CCNC(=O)N1CC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000473971697 1073131142 /nfs/dbraw/zinc/13/11/42/1073131142.db2.gz ONAJLNMKCCWGAT-INIZCTEOSA-N 1 1 384.525 -0.521 20 0 GBADMO CCNC(=O)N1CC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000473971702 1073131040 /nfs/dbraw/zinc/13/10/40/1073131040.db2.gz ONAJLNMKCCWGAT-MRXNPFEDSA-N 1 1 384.525 -0.521 20 0 GBADMO CC(C)NS(=O)(=O)CCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474004535 530419120 /nfs/dbraw/zinc/41/91/20/530419120.db2.gz HLBIIZDCNYSDKP-UHFFFAOYSA-N 1 1 377.511 -0.880 20 0 GBADMO CC(C)[C@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)N1CC[NH+](C)CC1 ZINC000474004729 1073193325 /nfs/dbraw/zinc/19/33/25/1073193325.db2.gz JRWXIXDYYUZWIM-AWEZNQCLSA-N 1 1 380.497 -0.240 20 0 GBADMO COC(=O)Cn1cc(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)nn1 ZINC000474012503 1073199913 /nfs/dbraw/zinc/19/99/13/1073199913.db2.gz RSRDGPABZSGDNT-UHFFFAOYSA-N 1 1 381.481 -0.334 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000474017233 1073203562 /nfs/dbraw/zinc/20/35/62/1073203562.db2.gz BGSQXSHIMIIFSW-UHFFFAOYSA-N 1 1 377.449 -0.988 20 0 GBADMO COC(=O)CCN1CC[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1=O ZINC000474023544 1073223598 /nfs/dbraw/zinc/22/35/98/1073223598.db2.gz QZTIOKUPGICGPP-HNNXBMFYSA-N 1 1 397.520 -0.134 20 0 GBADMO COC(=O)CCN1CC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1=O ZINC000474023545 1073223423 /nfs/dbraw/zinc/22/34/23/1073223423.db2.gz QZTIOKUPGICGPP-OAHLLOKOSA-N 1 1 397.520 -0.134 20 0 GBADMO COC(=O)c1ccc(OC)c(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000474029585 1073246602 /nfs/dbraw/zinc/24/66/02/1073246602.db2.gz DPTAGBFKONLFRB-UHFFFAOYSA-N 1 1 399.469 -0.076 20 0 GBADMO CN(C)C(=O)CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474043614 1073295379 /nfs/dbraw/zinc/29/53/79/1073295379.db2.gz ZGNAPVZJAHVHJC-INIZCTEOSA-N 1 1 396.536 -0.621 20 0 GBADMO CN(C)C(=O)CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474043618 1073295094 /nfs/dbraw/zinc/29/50/94/1073295094.db2.gz ZGNAPVZJAHVHJC-MRXNPFEDSA-N 1 1 396.536 -0.621 20 0 GBADMO CCN(CC)S(=O)(=O)CCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474047023 1073296695 /nfs/dbraw/zinc/29/66/95/1073296695.db2.gz VMGUIZOPBYELQM-UHFFFAOYSA-N 1 1 391.538 -0.537 20 0 GBADMO O=C(NCCCN1CCOCC1)C1(C(=O)NCCC[NH+]2CCOCC2)CCC1 ZINC000474064492 1073298952 /nfs/dbraw/zinc/29/89/52/1073298952.db2.gz DSPCQXZNABWOIB-UHFFFAOYSA-N 1 1 396.532 -0.166 20 0 GBADMO COCCN(CCOC)S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000474105574 530418844 /nfs/dbraw/zinc/41/88/44/530418844.db2.gz NCBFWCNECKDCPU-AWEZNQCLSA-N 1 1 381.495 -0.605 20 0 GBADMO COCCN(CCOC)S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000474105586 530270990 /nfs/dbraw/zinc/27/09/90/530270990.db2.gz NCBFWCNECKDCPU-CQSZACIVSA-N 1 1 381.495 -0.605 20 0 GBADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000474132430 1073314730 /nfs/dbraw/zinc/31/47/30/1073314730.db2.gz LYRXQXHUGJPPAE-KBPBESRZSA-N 1 1 391.490 -0.172 20 0 GBADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000474132431 1073314882 /nfs/dbraw/zinc/31/48/82/1073314882.db2.gz LYRXQXHUGJPPAE-KGLIPLIRSA-N 1 1 391.490 -0.172 20 0 GBADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000474132432 1073315397 /nfs/dbraw/zinc/31/53/97/1073315397.db2.gz LYRXQXHUGJPPAE-UONOGXRCSA-N 1 1 391.490 -0.172 20 0 GBADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000474132433 1073315660 /nfs/dbraw/zinc/31/56/60/1073315660.db2.gz LYRXQXHUGJPPAE-ZIAGYGMSSA-N 1 1 391.490 -0.172 20 0 GBADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000474205741 1073321872 /nfs/dbraw/zinc/32/18/72/1073321872.db2.gz ZUARVKXEBYBNAP-CHWSQXEVSA-N 1 1 387.506 -0.610 20 0 GBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000474205742 1073321452 /nfs/dbraw/zinc/32/14/52/1073321452.db2.gz ZUARVKXEBYBNAP-OLZOCXBDSA-N 1 1 387.506 -0.610 20 0 GBADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000474205743 1073322874 /nfs/dbraw/zinc/32/28/74/1073322874.db2.gz ZUARVKXEBYBNAP-QWHCGFSZSA-N 1 1 387.506 -0.610 20 0 GBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000474205744 1073322595 /nfs/dbraw/zinc/32/25/95/1073322595.db2.gz ZUARVKXEBYBNAP-STQMWFEESA-N 1 1 387.506 -0.610 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCO[C@H](c2ncon2)C1 ZINC000474215934 1073322359 /nfs/dbraw/zinc/32/23/59/1073322359.db2.gz KPDPDCIDZSMRTL-CABCVRRESA-N 1 1 393.444 -0.317 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCO[C@H](c2ncon2)C1 ZINC000474215936 1073322342 /nfs/dbraw/zinc/32/23/42/1073322342.db2.gz KPDPDCIDZSMRTL-GJZGRUSLSA-N 1 1 393.444 -0.317 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCO[C@@H](c2ncon2)C1 ZINC000474215938 1073322292 /nfs/dbraw/zinc/32/22/92/1073322292.db2.gz KPDPDCIDZSMRTL-HUUCEWRRSA-N 1 1 393.444 -0.317 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCO[C@@H](c2ncon2)C1 ZINC000474215940 1073322582 /nfs/dbraw/zinc/32/25/82/1073322582.db2.gz KPDPDCIDZSMRTL-LSDHHAIUSA-N 1 1 393.444 -0.317 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000474219928 530418966 /nfs/dbraw/zinc/41/89/66/530418966.db2.gz XZGZOCQYHSTFAN-AWEZNQCLSA-N 1 1 379.523 -0.366 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000474219929 530418820 /nfs/dbraw/zinc/41/88/20/530418820.db2.gz XZGZOCQYHSTFAN-CQSZACIVSA-N 1 1 379.523 -0.366 20 0 GBADMO CNS(=O)(=O)c1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cn1 ZINC000474260777 1073323381 /nfs/dbraw/zinc/32/33/81/1073323381.db2.gz VENKJWHYHKDPFR-UHFFFAOYSA-N 1 1 399.517 -0.890 20 0 GBADMO CN(C)C(=O)[C@@H]1C[N@@H+](CCN2CCCC2=O)CCN1CCN1CCCC1=O ZINC000474285985 1073324271 /nfs/dbraw/zinc/32/42/71/1073324271.db2.gz BUOFEBPLYQIXMN-INIZCTEOSA-N 1 1 379.505 -0.694 20 0 GBADMO CN(C)C(=O)[C@@H]1C[N@H+](CCN2CCCC2=O)CCN1CCN1CCCC1=O ZINC000474285985 1073324267 /nfs/dbraw/zinc/32/42/67/1073324267.db2.gz BUOFEBPLYQIXMN-INIZCTEOSA-N 1 1 379.505 -0.694 20 0 GBADMO CN(C)C(=O)[C@H]1C[N@@H+](CCN2CCCC2=O)CCN1CCN1CCCC1=O ZINC000474285986 1073324111 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C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H](C)O1 ZINC000502262472 1072313483 /nfs/dbraw/zinc/31/34/83/1072313483.db2.gz CPGTUNBTZLYYMB-QKPAOTATSA-N 1 1 380.489 -0.129 20 0 GBADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H](C)O1 ZINC000502262473 1072313740 /nfs/dbraw/zinc/31/37/40/1072313740.db2.gz CPGTUNBTZLYYMB-QXSJWSMHSA-N 1 1 380.489 -0.129 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC[N@H+]1CCOC ZINC000502265473 1072311181 /nfs/dbraw/zinc/31/11/81/1072311181.db2.gz IPTBTPVQWZEANK-BZUAXINKSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC[N@@H+]1CCOC ZINC000502265473 1072311170 /nfs/dbraw/zinc/31/11/70/1072311170.db2.gz IPTBTPVQWZEANK-BZUAXINKSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC[N@H+]1CCOC ZINC000502265474 1072310685 /nfs/dbraw/zinc/31/06/85/1072310685.db2.gz IPTBTPVQWZEANK-OAGGEKHMSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC[N@@H+]1CCOC ZINC000502265474 1072310674 /nfs/dbraw/zinc/31/06/74/1072310674.db2.gz IPTBTPVQWZEANK-OAGGEKHMSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC[N@H+]1CCOC ZINC000502265475 1072310620 /nfs/dbraw/zinc/31/06/20/1072310620.db2.gz IPTBTPVQWZEANK-OWCLPIDISA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC[N@@H+]1CCOC ZINC000502265475 1072310603 /nfs/dbraw/zinc/31/06/03/1072310603.db2.gz IPTBTPVQWZEANK-OWCLPIDISA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC[N@H+]1CCOC ZINC000502265476 1072310931 /nfs/dbraw/zinc/31/09/31/1072310931.db2.gz IPTBTPVQWZEANK-PMPSAXMXSA-N 1 1 380.489 -0.175 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC[N@@H+]1CCOC ZINC000502265476 1072310921 /nfs/dbraw/zinc/31/09/21/1072310921.db2.gz IPTBTPVQWZEANK-PMPSAXMXSA-N 1 1 380.489 -0.175 20 0 GBADMO 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CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000502270557 1072313613 /nfs/dbraw/zinc/31/36/13/1072313613.db2.gz LILQNPONEAEFSJ-OKZBNKHCSA-N 1 1 396.532 -0.075 20 0 GBADMO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000502270558 1072313623 /nfs/dbraw/zinc/31/36/23/1072313623.db2.gz LILQNPONEAEFSJ-RCCFBDPRSA-N 1 1 396.532 -0.075 20 0 GBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502290745 1072317605 /nfs/dbraw/zinc/31/76/05/1072317605.db2.gz DVRXPQIANCOKPL-CVEARBPZSA-N 1 1 379.505 -0.648 20 0 GBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502290746 1072317131 /nfs/dbraw/zinc/31/71/31/1072317131.db2.gz DVRXPQIANCOKPL-HOTGVXAUSA-N 1 1 379.505 -0.648 20 0 GBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502290747 1072317156 /nfs/dbraw/zinc/31/71/56/1072317156.db2.gz DVRXPQIANCOKPL-HZPDHXFCSA-N 1 1 379.505 -0.648 20 0 GBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502290748 1072317367 /nfs/dbraw/zinc/31/73/67/1072317367.db2.gz DVRXPQIANCOKPL-JKSUJKDBSA-N 1 1 379.505 -0.648 20 0 GBADMO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000502295864 1072315973 /nfs/dbraw/zinc/31/59/73/1072315973.db2.gz YBDZEGSFYBBDPJ-ARFHVFGLSA-N 1 1 396.488 -0.938 20 0 GBADMO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000502295865 1072315315 /nfs/dbraw/zinc/31/53/15/1072315315.db2.gz YBDZEGSFYBBDPJ-BZUAXINKSA-N 1 1 396.488 -0.938 20 0 GBADMO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000502295866 1072315598 /nfs/dbraw/zinc/31/55/98/1072315598.db2.gz YBDZEGSFYBBDPJ-HRCADAONSA-N 1 1 396.488 -0.938 20 0 GBADMO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000502295867 1072315778 /nfs/dbraw/zinc/31/57/78/1072315778.db2.gz YBDZEGSFYBBDPJ-OWCLPIDISA-N 1 1 396.488 -0.938 20 0 GBADMO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000502300726 1072316498 /nfs/dbraw/zinc/31/64/98/1072316498.db2.gz ZHRNHGORILCFKG-ARFHVFGLSA-N 1 1 378.473 -0.563 20 0 GBADMO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000502300727 1072316514 /nfs/dbraw/zinc/31/65/14/1072316514.db2.gz ZHRNHGORILCFKG-BZUAXINKSA-N 1 1 378.473 -0.563 20 0 GBADMO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000502300728 1072316751 /nfs/dbraw/zinc/31/67/51/1072316751.db2.gz ZHRNHGORILCFKG-OAGGEKHMSA-N 1 1 378.473 -0.563 20 0 GBADMO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000502300729 1072316642 /nfs/dbraw/zinc/31/66/42/1072316642.db2.gz ZHRNHGORILCFKG-XHSDSOJGSA-N 1 1 378.473 -0.563 20 0 GBADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502386379 1072319198 /nfs/dbraw/zinc/31/91/98/1072319198.db2.gz OOZCUYZNVJQHQX-AWEZNQCLSA-N 1 1 391.490 -0.866 20 0 GBADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502386380 1072319468 /nfs/dbraw/zinc/31/94/68/1072319468.db2.gz OOZCUYZNVJQHQX-CQSZACIVSA-N 1 1 391.490 -0.866 20 0 GBADMO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)N2CCS(=O)(=O)CC2)C1 ZINC000502420918 530447980 /nfs/dbraw/zinc/44/79/80/530447980.db2.gz URLHJTKGPFXSHA-KBPBESRZSA-N 1 1 381.520 -0.853 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000502493808 1072325458 /nfs/dbraw/zinc/32/54/58/1072325458.db2.gz IPUGEDQQTZZGER-UHFFFAOYSA-N 1 1 397.501 -0.396 20 0 GBADMO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC1CCOCC1 ZINC000502494951 1072567585 /nfs/dbraw/zinc/56/75/85/1072567585.db2.gz LRJJGDFFPVMJRG-UHFFFAOYSA-N 1 1 382.505 -0.652 20 0 GBADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H]2C1 ZINC000502570615 530447706 /nfs/dbraw/zinc/44/77/06/530447706.db2.gz QCZSJKLJSFGANN-LSDHHAIUSA-N 1 1 377.507 -0.348 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502601374 1072329635 /nfs/dbraw/zinc/32/96/35/1072329635.db2.gz PIXLFAAVWYPVDK-HNNXBMFYSA-N 1 1 395.485 -0.168 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502601377 1072329160 /nfs/dbraw/zinc/32/91/60/1072329160.db2.gz PIXLFAAVWYPVDK-OAHLLOKOSA-N 1 1 395.485 -0.168 20 0 GBADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000502624325 1072329504 /nfs/dbraw/zinc/32/95/04/1072329504.db2.gz WYSKFKGCNXFFCG-LSDHHAIUSA-N 1 1 396.469 -0.406 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502627983 1072329085 /nfs/dbraw/zinc/32/90/85/1072329085.db2.gz QIOMDCKJLGOHGU-UHFFFAOYSA-N 1 1 383.474 -0.311 20 0 GBADMO NC(=O)c1cc(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)on1 ZINC000502653311 1072330193 /nfs/dbraw/zinc/33/01/93/1072330193.db2.gz WBARXEGGWAKFFH-UHFFFAOYSA-N 1 1 388.432 -0.425 20 0 GBADMO COC[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000502713223 1072333658 /nfs/dbraw/zinc/33/36/58/1072333658.db2.gz 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COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000511900666 1073499034 /nfs/dbraw/zinc/49/90/34/1073499034.db2.gz CNLJKBNRJZXIFA-HNNXBMFYSA-N 1 1 398.529 -0.137 20 0 GBADMO COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000511900667 1073498922 /nfs/dbraw/zinc/49/89/22/1073498922.db2.gz CNLJKBNRJZXIFA-OAHLLOKOSA-N 1 1 398.529 -0.137 20 0 GBADMO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000511916719 1073506817 /nfs/dbraw/zinc/50/68/17/1073506817.db2.gz PDMXVUXKJIJYNT-INIZCTEOSA-N 1 1 395.504 -0.427 20 0 GBADMO COCCN(CC(=O)OC)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000511993248 1073596721 /nfs/dbraw/zinc/59/67/21/1073596721.db2.gz QEQVMYGERQAXEC-HNNXBMFYSA-N 1 1 385.461 -0.652 20 0 GBADMO COCCN(CC(=O)OC)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000511993249 1073596840 /nfs/dbraw/zinc/59/68/40/1073596840.db2.gz QEQVMYGERQAXEC-OAHLLOKOSA-N 1 1 385.461 -0.652 20 0 GBADMO CC(C)c1nnc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000511999806 1073604216 /nfs/dbraw/zinc/60/42/16/1073604216.db2.gz CFSLHGNZYOGIHT-UHFFFAOYSA-N 1 1 396.517 -0.100 20 0 GBADMO Cn1ncc2c1ncc(C(=O)Nc1cnn(CC(=O)N3CCN(C)CC3)c1)c2O ZINC000512046777 1073622115 /nfs/dbraw/zinc/62/21/15/1073622115.db2.gz ONFQWCWBDFPCSC-UHFFFAOYSA-N 1 1 398.427 -0.103 20 0 GBADMO Cn1ncc2c1ncc(C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c2O ZINC000512069774 1073627622 /nfs/dbraw/zinc/62/76/22/1073627622.db2.gz OSSIOQLCLNDQFX-UHFFFAOYSA-N 1 1 386.416 -0.200 20 0 GBADMO CC[N@H+]1CCC[C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000512078443 1073629705 /nfs/dbraw/zinc/62/97/05/1073629705.db2.gz UALORVNTHHPWRF-CYBMUJFWSA-N 1 1 376.461 -0.328 20 0 GBADMO CC[N@H+]1CCC[C@@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000512078452 1073629748 /nfs/dbraw/zinc/62/97/48/1073629748.db2.gz UALORVNTHHPWRF-ZDUSSCGKSA-N 1 1 376.461 -0.328 20 0 GBADMO COCCN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O ZINC000512143958 1073647364 /nfs/dbraw/zinc/64/73/64/1073647364.db2.gz IXJIWZQTWDUDGR-INIZCTEOSA-N 1 1 396.488 -0.983 20 0 GBADMO COCCN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC000512144196 1073647653 /nfs/dbraw/zinc/64/76/53/1073647653.db2.gz IXJIWZQTWDUDGR-MRXNPFEDSA-N 1 1 396.488 -0.983 20 0 GBADMO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000512156070 1073649716 /nfs/dbraw/zinc/64/97/16/1073649716.db2.gz XOPPLIAEPCKVHD-ZWKOTPCHSA-N 1 1 396.532 -0.073 20 0 GBADMO Cc1[nH+]ccn1CCCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000512206401 1073673015 /nfs/dbraw/zinc/67/30/15/1073673015.db2.gz DOXYHNGCAHOQMB-UHFFFAOYSA-N 1 1 390.448 -0.747 20 0 GBADMO CCN1CC[NH+](CCC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000512207868 1073672989 /nfs/dbraw/zinc/67/29/89/1073672989.db2.gz WWKYEGGTKQIRLB-UHFFFAOYSA-N 1 1 375.521 -0.258 20 0 GBADMO CS(=O)(=O)c1ccc(NC(=O)NCCCCN2CC[NH+](CCO)CC2)cn1 ZINC000512216019 1073674257 /nfs/dbraw/zinc/67/42/57/1073674257.db2.gz WYTLJKNILMHYNZ-UHFFFAOYSA-N 1 1 399.517 -0.003 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000512253779 1073683172 /nfs/dbraw/zinc/68/31/72/1073683172.db2.gz ROTGQXAIHJBJFW-INIZCTEOSA-N 1 1 394.438 -0.002 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000512253779 1073683168 /nfs/dbraw/zinc/68/31/68/1073683168.db2.gz ROTGQXAIHJBJFW-INIZCTEOSA-N 1 1 394.438 -0.002 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000512253780 1073683908 /nfs/dbraw/zinc/68/39/08/1073683908.db2.gz ROTGQXAIHJBJFW-MRXNPFEDSA-N 1 1 394.438 -0.002 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000512253780 1073683901 /nfs/dbraw/zinc/68/39/01/1073683901.db2.gz ROTGQXAIHJBJFW-MRXNPFEDSA-N 1 1 394.438 -0.002 20 0 GBADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000512263578 530458926 /nfs/dbraw/zinc/45/89/26/530458926.db2.gz JCGQFGORYOPSLZ-GFCCVEGCSA-N 1 1 390.487 -0.585 20 0 GBADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000512263609 530458916 /nfs/dbraw/zinc/45/89/16/530458916.db2.gz JCGQFGORYOPSLZ-LBPRGKRZSA-N 1 1 390.487 -0.585 20 0 GBADMO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[N@H+]1CCC(=O)N1CCOCC1 ZINC000512295925 1073694425 /nfs/dbraw/zinc/69/44/25/1073694425.db2.gz OANFBDYMVYXVHE-KRWDZBQOSA-N 1 1 382.505 -0.510 20 0 GBADMO C[C@H]1CN(CCC(=O)N2CCOCC2)CC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000512295925 1073694420 /nfs/dbraw/zinc/69/44/20/1073694420.db2.gz OANFBDYMVYXVHE-KRWDZBQOSA-N 1 1 382.505 -0.510 20 0 GBADMO C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000512295925 1073694419 /nfs/dbraw/zinc/69/44/19/1073694419.db2.gz OANFBDYMVYXVHE-KRWDZBQOSA-N 1 1 382.505 -0.510 20 0 GBADMO CNC(=O)COc1cccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000512302680 1073694348 /nfs/dbraw/zinc/69/43/48/1073694348.db2.gz HCRRYZPYZLDEQU-IBGZPJMESA-N 1 1 394.472 -0.306 20 0 GBADMO CNC(=O)COc1cccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000512302682 1073694452 /nfs/dbraw/zinc/69/44/52/1073694452.db2.gz HCRRYZPYZLDEQU-LJQANCHMSA-N 1 1 394.472 -0.306 20 0 GBADMO CN(C)c1[nH+]cc(CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)n1C ZINC000512319630 1073695504 /nfs/dbraw/zinc/69/55/04/1073695504.db2.gz KNRJXCGYUVGMPA-UHFFFAOYSA-N 1 1 391.457 -0.043 20 0 GBADMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(Cc3ncc[nH]3)CC1)c(=O)n2C ZINC000512323010 1073695797 /nfs/dbraw/zinc/69/57/97/1073695797.db2.gz KXTWDCJEJQJKQJ-UHFFFAOYSA-N 1 1 386.460 -0.635 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331724 1073697743 /nfs/dbraw/zinc/69/77/43/1073697743.db2.gz PMJFYRBEVQGMRI-DLBZAZTESA-N 1 1 388.578 -0.020 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331725 1073698149 /nfs/dbraw/zinc/69/81/49/1073698149.db2.gz PMJFYRBEVQGMRI-IAGOWNOFSA-N 1 1 388.578 -0.020 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331726 1073697936 /nfs/dbraw/zinc/69/79/36/1073697936.db2.gz PMJFYRBEVQGMRI-IRXDYDNUSA-N 1 1 388.578 -0.020 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331727 1073697827 /nfs/dbraw/zinc/69/78/27/1073697827.db2.gz PMJFYRBEVQGMRI-SJORKVTESA-N 1 1 388.578 -0.020 20 0 GBADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCC(C)(C)O)CC2)CC1 ZINC000512351741 1073704995 /nfs/dbraw/zinc/70/49/95/1073704995.db2.gz IHRJYAACZXAUAT-UHFFFAOYSA-N 1 1 382.505 -0.334 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000512360995 1073709288 /nfs/dbraw/zinc/70/92/88/1073709288.db2.gz GWKNEUTVGCUGDR-AWEZNQCLSA-N 1 1 391.476 -0.575 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000512360996 1073709758 /nfs/dbraw/zinc/70/97/58/1073709758.db2.gz GWKNEUTVGCUGDR-CQSZACIVSA-N 1 1 391.476 -0.575 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000512391156 1073716442 /nfs/dbraw/zinc/71/64/42/1073716442.db2.gz KQZJIUCRMSIFQR-UHFFFAOYSA-N 1 1 375.473 -0.250 20 0 GBADMO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000512440495 530458697 /nfs/dbraw/zinc/45/86/97/530458697.db2.gz BPCZIYKCLLPEQS-OAHLLOKOSA-N 1 1 376.523 -0.101 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512467681 1073756239 /nfs/dbraw/zinc/75/62/39/1073756239.db2.gz HWSVSWIOVMXCDS-AWEZNQCLSA-N 1 1 389.522 -0.927 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512467686 1073756609 /nfs/dbraw/zinc/75/66/09/1073756609.db2.gz HWSVSWIOVMXCDS-CQSZACIVSA-N 1 1 389.522 -0.927 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)NCC[N@H+]2CCOC(C)(C)C2)cn1C ZINC000512477701 1073765126 /nfs/dbraw/zinc/76/51/26/1073765126.db2.gz CPWCRPYTWKYZJV-UHFFFAOYSA-N 1 1 387.506 -0.376 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn1C ZINC000512477701 1073765118 /nfs/dbraw/zinc/76/51/18/1073765118.db2.gz CPWCRPYTWKYZJV-UHFFFAOYSA-N 1 1 387.506 -0.376 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(CC)C2=O)CC1 ZINC000512503863 1073791123 /nfs/dbraw/zinc/79/11/23/1073791123.db2.gz MLZHLSAUSWBFLE-GOSISDBHSA-N 1 1 381.477 -0.186 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)CC1 ZINC000512503865 1073791218 /nfs/dbraw/zinc/79/12/18/1073791218.db2.gz MLZHLSAUSWBFLE-SFHVURJKSA-N 1 1 381.477 -0.186 20 0 GBADMO Cn1cc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C(F)(F)F)n1 ZINC000512527996 1073807446 /nfs/dbraw/zinc/80/74/46/1073807446.db2.gz AVWRPJCWPJLWBI-UHFFFAOYSA-N 1 1 391.394 -0.030 20 0 GBADMO C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)[C@H](C)N1CCOCC1 ZINC000512585688 1073846144 /nfs/dbraw/zinc/84/61/44/1073846144.db2.gz DSORJWJIFDTJAT-MSOLQXFVSA-N 1 1 385.553 -0.215 20 0 GBADMO C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)[C@@H](C)N1CCOCC1 ZINC000512585690 1073846811 /nfs/dbraw/zinc/84/68/11/1073846811.db2.gz DSORJWJIFDTJAT-QZTJIDSGSA-N 1 1 385.553 -0.215 20 0 GBADMO C[C@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)[C@H](C)N1CCOCC1 ZINC000512585691 1073846457 /nfs/dbraw/zinc/84/64/57/1073846457.db2.gz DSORJWJIFDTJAT-ROUUACIJSA-N 1 1 385.553 -0.215 20 0 GBADMO C[C@H]([C@H](C)NC(=O)NCCCCN1CC[NH+](CCO)CC1)N1CCOCC1 ZINC000512585692 1073846785 /nfs/dbraw/zinc/84/67/85/1073846785.db2.gz DSORJWJIFDTJAT-ZWKOTPCHSA-N 1 1 385.553 -0.215 20 0 GBADMO CC1(C)COCCN1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512606324 1073855350 /nfs/dbraw/zinc/85/53/50/1073855350.db2.gz MUPMUERHTDQFAJ-UHFFFAOYSA-N 1 1 385.553 -0.214 20 0 GBADMO CC(C)(CNC(=O)NCCCCN1CC[NH+](CCO)CC1)N1CCOCC1 ZINC000512643096 1073865043 /nfs/dbraw/zinc/86/50/43/1073865043.db2.gz VNFSLOVKRSZGRP-UHFFFAOYSA-N 1 1 385.553 -0.214 20 0 GBADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512695077 1073869486 /nfs/dbraw/zinc/86/94/86/1073869486.db2.gz RSAHDWFAPAZXOQ-UHFFFAOYSA-N 1 1 382.509 -0.996 20 0 GBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000512695077 1073869476 /nfs/dbraw/zinc/86/94/76/1073869476.db2.gz RSAHDWFAPAZXOQ-UHFFFAOYSA-N 1 1 382.509 -0.996 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000512698719 1073869240 /nfs/dbraw/zinc/86/92/40/1073869240.db2.gz LESHUAFKQUJHPN-UHFFFAOYSA-N 1 1 395.426 -0.286 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000512703095 1073870493 /nfs/dbraw/zinc/87/04/93/1073870493.db2.gz OSYTWPIQHSQUIJ-MSOLQXFVSA-N 1 1 389.500 -0.400 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000512703096 1073870199 /nfs/dbraw/zinc/87/01/99/1073870199.db2.gz OSYTWPIQHSQUIJ-QZTJIDSGSA-N 1 1 389.500 -0.400 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000512703097 1073870237 /nfs/dbraw/zinc/87/02/37/1073870237.db2.gz OSYTWPIQHSQUIJ-ROUUACIJSA-N 1 1 389.500 -0.400 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000512703098 1073870883 /nfs/dbraw/zinc/87/08/83/1073870883.db2.gz OSYTWPIQHSQUIJ-ZWKOTPCHSA-N 1 1 389.500 -0.400 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000512711532 1073871737 /nfs/dbraw/zinc/87/17/37/1073871737.db2.gz IYYHZZADLHTCDI-IBGZPJMESA-N 1 1 375.473 -0.646 20 0 GBADMO O=C(NCCN1CCNC(=O)C1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000512711534 1073870301 /nfs/dbraw/zinc/87/03/01/1073870301.db2.gz IYYHZZADLHTCDI-LJQANCHMSA-N 1 1 375.473 -0.646 20 0 GBADMO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000512730842 530459226 /nfs/dbraw/zinc/45/92/26/530459226.db2.gz WOYIGBUUPCWEOA-SMDDNHRTSA-N 1 1 387.483 -0.219 20 0 GBADMO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000512730842 530459225 /nfs/dbraw/zinc/45/92/25/530459225.db2.gz WOYIGBUUPCWEOA-SMDDNHRTSA-N 1 1 387.483 -0.219 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1 ZINC000512754908 1073877331 /nfs/dbraw/zinc/87/73/31/1073877331.db2.gz GLSAXLHKOGEHCZ-UHFFFAOYSA-N 1 1 394.403 -0.123 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000512755484 1073877454 /nfs/dbraw/zinc/87/74/54/1073877454.db2.gz JPPBMQZREQXMBP-UHFFFAOYSA-N 1 1 376.413 -0.262 20 0 GBADMO 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ZINC000524109954 1073575120 /nfs/dbraw/zinc/57/51/20/1073575120.db2.gz FMMPIAFPMJRAQP-OAHLLOKOSA-N 1 1 389.456 -0.251 20 0 GBADMO CNC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000524121121 1073575209 /nfs/dbraw/zinc/57/52/09/1073575209.db2.gz LAJHTWPEHWDFSV-GFCCVEGCSA-N 1 1 385.490 -0.750 20 0 GBADMO CNC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1C ZINC000524121127 1073575094 /nfs/dbraw/zinc/57/50/94/1073575094.db2.gz LAJHTWPEHWDFSV-LBPRGKRZSA-N 1 1 385.490 -0.750 20 0 GBADMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1OCC(N)=O ZINC000524132523 1073575982 /nfs/dbraw/zinc/57/59/82/1073575982.db2.gz IAQSHBSENHXONP-AWEZNQCLSA-N 1 1 392.456 -0.124 20 0 GBADMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1OCC(N)=O ZINC000524132526 1073576507 /nfs/dbraw/zinc/57/65/07/1073576507.db2.gz IAQSHBSENHXONP-CQSZACIVSA-N 1 1 392.456 -0.124 20 0 GBADMO CCC1(CC)NC(=O)N(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000524133641 1073575920 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/nfs/dbraw/zinc/57/58/21/1073575821.db2.gz XKIPICQWNASDML-XIKOKIGWSA-N 1 1 379.461 -0.590 20 0 GBADMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136391 1073575537 /nfs/dbraw/zinc/57/55/37/1073575537.db2.gz YVFAROBPSNUHGH-KBPBESRZSA-N 1 1 393.488 -0.057 20 0 GBADMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136392 1073575249 /nfs/dbraw/zinc/57/52/49/1073575249.db2.gz YVFAROBPSNUHGH-KGLIPLIRSA-N 1 1 393.488 -0.057 20 0 GBADMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136393 1073575418 /nfs/dbraw/zinc/57/54/18/1073575418.db2.gz YVFAROBPSNUHGH-UONOGXRCSA-N 1 1 393.488 -0.057 20 0 GBADMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136394 1073575944 /nfs/dbraw/zinc/57/59/44/1073575944.db2.gz YVFAROBPSNUHGH-ZIAGYGMSSA-N 1 1 393.488 -0.057 20 0 GBADMO COC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000524149505 1073576464 /nfs/dbraw/zinc/57/64/64/1073576464.db2.gz UNTIPHCCDIYISH-UHFFFAOYSA-N 1 1 399.469 -0.076 20 0 GBADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000524206778 1073577553 /nfs/dbraw/zinc/57/75/53/1073577553.db2.gz KXDYKOFZIAOQEK-AWEZNQCLSA-N 1 1 382.490 -0.861 20 0 GBADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000524206779 1073577579 /nfs/dbraw/zinc/57/75/79/1073577579.db2.gz KXDYKOFZIAOQEK-CQSZACIVSA-N 1 1 382.490 -0.861 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000524217750 1073578471 /nfs/dbraw/zinc/57/84/71/1073578471.db2.gz JYJFDPCRLCGAGF-CYBMUJFWSA-N 1 1 387.440 -0.194 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000524217751 1073578559 /nfs/dbraw/zinc/57/85/59/1073578559.db2.gz JYJFDPCRLCGAGF-ZDUSSCGKSA-N 1 1 387.440 -0.194 20 0 GBADMO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000524220081 1073578051 /nfs/dbraw/zinc/57/80/51/1073578051.db2.gz UENBBNIHTVEDOZ-GFCCVEGCSA-N 1 1 398.485 -0.340 20 0 GBADMO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000524220082 1073578385 /nfs/dbraw/zinc/57/83/85/1073578385.db2.gz UENBBNIHTVEDOZ-LBPRGKRZSA-N 1 1 398.485 -0.340 20 0 GBADMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000524220095 1073578325 /nfs/dbraw/zinc/57/83/25/1073578325.db2.gz UVFOBLQIGWSJGX-HNNXBMFYSA-N 1 1 388.534 -0.248 20 0 GBADMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000524220096 1073578154 /nfs/dbraw/zinc/57/81/54/1073578154.db2.gz UVFOBLQIGWSJGX-OAHLLOKOSA-N 1 1 388.534 -0.248 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000524234459 530465481 /nfs/dbraw/zinc/46/54/81/530465481.db2.gz RBHMMTMJQKUNHA-UHFFFAOYSA-N 1 1 377.438 -0.281 20 0 GBADMO CN(CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1cccnc1 ZINC000524263975 1073578576 /nfs/dbraw/zinc/57/85/76/1073578576.db2.gz OHBYVRHAYGTLCG-AWEZNQCLSA-N 1 1 397.501 -0.594 20 0 GBADMO CN(CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1cccnc1 ZINC000524263976 1073577985 /nfs/dbraw/zinc/57/79/85/1073577985.db2.gz OHBYVRHAYGTLCG-CQSZACIVSA-N 1 1 397.501 -0.594 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000524264513 530465562 /nfs/dbraw/zinc/46/55/62/530465562.db2.gz NRYFEQWACRIYPV-GFCCVEGCSA-N 1 1 388.515 -0.270 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000524264514 530465547 /nfs/dbraw/zinc/46/55/47/530465547.db2.gz NRYFEQWACRIYPV-LBPRGKRZSA-N 1 1 388.515 -0.270 20 0 GBADMO C[C@H](C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000524295024 530465590 /nfs/dbraw/zinc/46/55/90/530465590.db2.gz SAWOCPIVCAMSIS-CABCVRRESA-N 1 1 376.523 -0.773 20 0 GBADMO C[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000524295025 530465578 /nfs/dbraw/zinc/46/55/78/530465578.db2.gz SAWOCPIVCAMSIS-GJZGRUSLSA-N 1 1 376.523 -0.773 20 0 GBADMO C[C@H](C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000524295026 530465558 /nfs/dbraw/zinc/46/55/58/530465558.db2.gz SAWOCPIVCAMSIS-HUUCEWRRSA-N 1 1 376.523 -0.773 20 0 GBADMO C[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000524295027 530465340 /nfs/dbraw/zinc/46/53/40/530465340.db2.gz SAWOCPIVCAMSIS-LSDHHAIUSA-N 1 1 376.523 -0.773 20 0 GBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000524319131 1073580978 /nfs/dbraw/zinc/58/09/78/1073580978.db2.gz OBBJDAUAZLKRHS-GASCZTMLSA-N 1 1 380.493 -0.262 20 0 GBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000524351675 1073582109 /nfs/dbraw/zinc/58/21/09/1073582109.db2.gz NISZUZZHZQNQSJ-LLVKDONJSA-N 1 1 378.433 -0.478 20 0 GBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000524351676 1073581949 /nfs/dbraw/zinc/58/19/49/1073581949.db2.gz NISZUZZHZQNQSJ-NSHDSACASA-N 1 1 378.433 -0.478 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000524365842 1073581667 /nfs/dbraw/zinc/58/16/67/1073581667.db2.gz UIDSGBNXJREGOJ-HNNXBMFYSA-N 1 1 381.502 -0.256 20 0 GBADMO C[N@@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000524365842 1073581653 /nfs/dbraw/zinc/58/16/53/1073581653.db2.gz UIDSGBNXJREGOJ-HNNXBMFYSA-N 1 1 381.502 -0.256 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000524365843 1073582259 /nfs/dbraw/zinc/58/22/59/1073582259.db2.gz UIDSGBNXJREGOJ-OAHLLOKOSA-N 1 1 381.502 -0.256 20 0 GBADMO C[N@@H+]1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000524365843 1073582246 /nfs/dbraw/zinc/58/22/46/1073582246.db2.gz UIDSGBNXJREGOJ-OAHLLOKOSA-N 1 1 381.502 -0.256 20 0 GBADMO C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)CN1CC[NH+](C)CC1 ZINC000524416870 1073583532 /nfs/dbraw/zinc/58/35/32/1073583532.db2.gz JUBXQLVCHVGBLR-CYBMUJFWSA-N 1 1 390.488 -0.811 20 0 GBADMO C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)CN1CC[NH+](C)CC1 ZINC000524416871 1073582808 /nfs/dbraw/zinc/58/28/08/1073582808.db2.gz JUBXQLVCHVGBLR-ZDUSSCGKSA-N 1 1 390.488 -0.811 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000524418844 1073584581 /nfs/dbraw/zinc/58/45/81/1073584581.db2.gz IOEKVHFTERNXGM-HNNXBMFYSA-N 1 1 382.486 -0.208 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000524418845 1073584034 /nfs/dbraw/zinc/58/40/34/1073584034.db2.gz IOEKVHFTERNXGM-OAHLLOKOSA-N 1 1 382.486 -0.208 20 0 GBADMO CC1(C)NC(=O)N(CCCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000524419025 1073583170 /nfs/dbraw/zinc/58/31/70/1073583170.db2.gz RZOXQNLYCGDTCW-CYBMUJFWSA-N 1 1 381.477 -0.199 20 0 GBADMO CC1(C)NC(=O)N(CCCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000524419026 1073583387 /nfs/dbraw/zinc/58/33/87/1073583387.db2.gz RZOXQNLYCGDTCW-ZDUSSCGKSA-N 1 1 381.477 -0.199 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000524419537 1073583804 /nfs/dbraw/zinc/58/38/04/1073583804.db2.gz PDQSCXUXKGIWQI-HNNXBMFYSA-N 1 1 382.486 -0.208 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000524419538 1073584668 /nfs/dbraw/zinc/58/46/68/1073584668.db2.gz PDQSCXUXKGIWQI-OAHLLOKOSA-N 1 1 382.486 -0.208 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000524419710 1073584286 /nfs/dbraw/zinc/58/42/86/1073584286.db2.gz YJNOEIGJMBARDX-HNNXBMFYSA-N 1 1 388.534 -0.104 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000524419711 1073584209 /nfs/dbraw/zinc/58/42/09/1073584209.db2.gz YJNOEIGJMBARDX-OAHLLOKOSA-N 1 1 388.534 -0.104 20 0 GBADMO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000524465010 1073585296 /nfs/dbraw/zinc/58/52/96/1073585296.db2.gz FEQFXYHHCOZCMH-INIZCTEOSA-N 1 1 399.561 -0.390 20 0 GBADMO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000524465011 1073585014 /nfs/dbraw/zinc/58/50/14/1073585014.db2.gz FEQFXYHHCOZCMH-MRXNPFEDSA-N 1 1 399.561 -0.390 20 0 GBADMO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)cn1 ZINC000524595916 1073592082 /nfs/dbraw/zinc/59/20/82/1073592082.db2.gz ZMJJCEVKPBRYPE-UHFFFAOYSA-N 1 1 390.488 -0.400 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000524610327 1073592345 /nfs/dbraw/zinc/59/23/45/1073592345.db2.gz MWZPNAAWMVORPB-HNNXBMFYSA-N 1 1 387.440 -0.078 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000524610328 1073592021 /nfs/dbraw/zinc/59/20/21/1073592021.db2.gz MWZPNAAWMVORPB-OAHLLOKOSA-N 1 1 387.440 -0.078 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000524617156 1073591869 /nfs/dbraw/zinc/59/18/69/1073591869.db2.gz DJVQTGVQDPRILL-AWEZNQCLSA-N 1 1 375.429 -0.008 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000524617157 1073591924 /nfs/dbraw/zinc/59/19/24/1073591924.db2.gz DJVQTGVQDPRILL-CQSZACIVSA-N 1 1 375.429 -0.008 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000524626657 1073592992 /nfs/dbraw/zinc/59/29/92/1073592992.db2.gz UYTKMWLJDFTAHI-UHFFFAOYSA-N 1 1 385.490 -0.453 20 0 GBADMO 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375.472 -0.606 20 0 GBADMO O=S(=O)(NC[C@H]1COCC[NH2+]1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000528054028 530357850 /nfs/dbraw/zinc/35/78/50/530357850.db2.gz LZWMGSYWTAOORK-LBPRGKRZSA-N 1 1 375.472 -0.606 20 0 GBADMO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528054347 530357626 /nfs/dbraw/zinc/35/76/26/530357626.db2.gz ONBIBWBOMSZQKT-JTQLQIEISA-N 1 1 378.248 -0.185 20 0 GBADMO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000528054348 530357759 /nfs/dbraw/zinc/35/77/59/530357759.db2.gz ONBIBWBOMSZQKT-SNVBAGLBSA-N 1 1 378.248 -0.185 20 0 GBADMO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1OC ZINC000528054442 530357652 /nfs/dbraw/zinc/35/76/52/530357652.db2.gz PZKRFIJINAXVEN-JTQLQIEISA-N 1 1 377.850 -0.025 20 0 GBADMO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1OC ZINC000528054446 530357835 /nfs/dbraw/zinc/35/78/35/530357835.db2.gz PZKRFIJINAXVEN-SNVBAGLBSA-N 1 1 377.850 -0.025 20 0 GBADMO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(OC)c1 ZINC000528054595 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389.499 -0.262 20 0 GBADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000528055770 530357698 /nfs/dbraw/zinc/35/76/98/530357698.db2.gz HWFBSCUCMVLDEC-CYBMUJFWSA-N 1 1 392.499 -0.233 20 0 GBADMO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000528055773 530357673 /nfs/dbraw/zinc/35/76/73/530357673.db2.gz HWFBSCUCMVLDEC-ZDUSSCGKSA-N 1 1 392.499 -0.233 20 0 GBADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000528055835 530357814 /nfs/dbraw/zinc/35/78/14/530357814.db2.gz YRANXTXHPRAUQZ-CYBMUJFWSA-N 1 1 391.515 -0.016 20 0 GBADMO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000528055846 530357591 /nfs/dbraw/zinc/35/75/91/530357591.db2.gz YRANXTXHPRAUQZ-ZDUSSCGKSA-N 1 1 391.515 -0.016 20 0 GBADMO Cn1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1C(=O)NCC(F)(F)F ZINC000528055915 530357596 /nfs/dbraw/zinc/35/75/96/530357596.db2.gz ZKCQYXBTOCGCIG-SECBINFHSA-N 1 1 384.380 -0.416 20 0 GBADMO Cn1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1C(=O)NCC(F)(F)F 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PSJHGLRYWQDAPY-CYBMUJFWSA-N 1 1 389.499 -0.262 20 0 GBADMO O=S(=O)(NC[C@H]1COCC[NH2+]1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000528057073 530357647 /nfs/dbraw/zinc/35/76/47/530357647.db2.gz PSJHGLRYWQDAPY-ZDUSSCGKSA-N 1 1 389.499 -0.262 20 0 GBADMO COc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[C@]1(C)NC(=O)NC1=O ZINC000528057951 1073704148 /nfs/dbraw/zinc/70/41/48/1073704148.db2.gz ZBBNPEBLKXDDOF-HWPZZCPQSA-N 1 1 398.441 -0.984 20 0 GBADMO COc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000528057954 1073704472 /nfs/dbraw/zinc/70/44/72/1073704472.db2.gz ZBBNPEBLKXDDOF-MGPLVRAMSA-N 1 1 398.441 -0.984 20 0 GBADMO COc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[C@]1(C)NC(=O)NC1=O ZINC000528057955 1073704366 /nfs/dbraw/zinc/70/43/66/1073704366.db2.gz ZBBNPEBLKXDDOF-QFYYESIMSA-N 1 1 398.441 -0.984 20 0 GBADMO COc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000528057956 1073704619 /nfs/dbraw/zinc/70/46/19/1073704619.db2.gz ZBBNPEBLKXDDOF-QLJPJBMISA-N 1 1 398.441 -0.984 20 0 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C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc2ccccc2c(NCCO)n1 ZINC000528132828 1073705921 /nfs/dbraw/zinc/70/59/21/1073705921.db2.gz OLZBJMWPMBQDGH-FQEVSTJZSA-N 1 1 387.484 -0.095 20 0 GBADMO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc2ccccc2c(NCCO)n1 ZINC000528132831 1073705800 /nfs/dbraw/zinc/70/58/00/1073705800.db2.gz OLZBJMWPMBQDGH-HXUWFJFHSA-N 1 1 387.484 -0.095 20 0 GBADMO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc2ccccc2c(NCCO)n1 ZINC000528132831 1073705792 /nfs/dbraw/zinc/70/57/92/1073705792.db2.gz OLZBJMWPMBQDGH-HXUWFJFHSA-N 1 1 387.484 -0.095 20 0 GBADMO C(Nc1nc(NCC23CC(C2)CO3)[nH+]c(N2CCOCC2)n1)C12CC(C1)CO2 ZINC000528183986 1073706811 /nfs/dbraw/zinc/70/68/11/1073706811.db2.gz CIGZIVNJMLASBQ-UHFFFAOYSA-N 1 1 388.472 -0.266 20 0 GBADMO C(Nc1nc(N2CCOCC2)nc(NCC23CC(C2)CO3)[nH+]1)C12CC(C1)CO2 ZINC000528183986 1073706802 /nfs/dbraw/zinc/70/68/02/1073706802.db2.gz CIGZIVNJMLASBQ-UHFFFAOYSA-N 1 1 388.472 -0.266 20 0 GBADMO COCCNc1nc(NCC23CC(C2)CO3)[nH+]c(NCC23CC(C2)CO3)n1 ZINC000528184343 1073706750 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BQNPWADRJGJJQM-LSDHHAIUSA-N 1 1 388.534 -0.283 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000528353112 1073711834 /nfs/dbraw/zinc/71/18/34/1073711834.db2.gz HEQPDDSKVAWLEJ-GDBMZVCRSA-N 1 1 378.477 -0.013 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528353115 1073711526 /nfs/dbraw/zinc/71/15/26/1073711526.db2.gz HEQPDDSKVAWLEJ-GOEBONIOSA-N 1 1 378.477 -0.013 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528353117 1073711613 /nfs/dbraw/zinc/71/16/13/1073711613.db2.gz HEQPDDSKVAWLEJ-HOCLYGCPSA-N 1 1 378.477 -0.013 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000528353119 1073712080 /nfs/dbraw/zinc/71/20/80/1073712080.db2.gz HEQPDDSKVAWLEJ-ZBFHGGJFSA-N 1 1 378.477 -0.013 20 0 GBADMO CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000528355027 1073711978 /nfs/dbraw/zinc/71/19/78/1073711978.db2.gz NGNWNCGZYODCJP-DZGCQCFKSA-N 1 1 386.518 -0.401 20 0 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/nfs/dbraw/zinc/78/40/41/1073784041.db2.gz GWEFWYUXAZMLIK-CYBMUJFWSA-N 1 1 383.470 -0.028 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000530831338 1073784318 /nfs/dbraw/zinc/78/43/18/1073784318.db2.gz GWEFWYUXAZMLIK-ZDUSSCGKSA-N 1 1 383.470 -0.028 20 0 GBADMO CCN(CC)C(=O)N1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000530839963 1073785388 /nfs/dbraw/zinc/78/53/88/1073785388.db2.gz ZECWFTJETGMIQA-UHFFFAOYSA-N 1 1 382.509 -0.061 20 0 GBADMO CN(C)c1nc(N2CCN(C(=O)Cn3cnc4c3ncnc4N)CC2)cc[nH+]1 ZINC000530848082 1073784305 /nfs/dbraw/zinc/78/43/05/1073784305.db2.gz ZAZWOIATHNXKGP-UHFFFAOYSA-N 1 1 382.432 -0.387 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000530865663 1073785258 /nfs/dbraw/zinc/78/52/58/1073785258.db2.gz IFLVEHXAPZYXEI-INIZCTEOSA-N 1 1 376.505 -0.483 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000530865664 1073785427 /nfs/dbraw/zinc/78/54/27/1073785427.db2.gz IFLVEHXAPZYXEI-MRXNPFEDSA-N 1 1 376.505 -0.483 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000530871254 1073784938 /nfs/dbraw/zinc/78/49/38/1073784938.db2.gz UTWMUPFOLSAFLD-AWEZNQCLSA-N 1 1 380.497 -0.239 20 0 GBADMO NS(=O)(=O)CCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000530881787 1073785831 /nfs/dbraw/zinc/78/58/31/1073785831.db2.gz AQQGSRBXOQMXFP-KRWDZBQOSA-N 1 1 395.529 -0.274 20 0 GBADMO NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000530881788 1073785684 /nfs/dbraw/zinc/78/56/84/1073785684.db2.gz AQQGSRBXOQMXFP-QGZVFWFLSA-N 1 1 395.529 -0.274 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000530906636 1073786144 /nfs/dbraw/zinc/78/61/44/1073786144.db2.gz IRQRKIVUJKJEDH-UHFFFAOYSA-N 1 1 390.488 -0.161 20 0 GBADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000530916699 530081342 /nfs/dbraw/zinc/08/13/42/530081342.db2.gz PWRLOHNIIKWBFB-HNNXBMFYSA-N 1 1 375.539 -0.263 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000530916716 530081450 /nfs/dbraw/zinc/08/14/50/530081450.db2.gz PWRLOHNIIKWBFB-OAHLLOKOSA-N 1 1 375.539 -0.263 20 0 GBADMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1-n1cnnn1 ZINC000530919887 1073786642 /nfs/dbraw/zinc/78/66/42/1073786642.db2.gz ZGKRPYAUJJKNFT-UHFFFAOYSA-N 1 1 387.444 -0.176 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1 ZINC000530921476 1073786210 /nfs/dbraw/zinc/78/62/10/1073786210.db2.gz JCSGHCUOWKYNAK-UHFFFAOYSA-N 1 1 394.403 -0.123 20 0 GBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000530926518 1073787344 /nfs/dbraw/zinc/78/73/44/1073787344.db2.gz UKOOVTLXFQGJBX-HNNXBMFYSA-N 1 1 387.444 -0.176 20 0 GBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000530926520 1073787405 /nfs/dbraw/zinc/78/74/05/1073787405.db2.gz UKOOVTLXFQGJBX-OAHLLOKOSA-N 1 1 387.444 -0.176 20 0 GBADMO CN(C)C(=O)N1CCC(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000530940173 1073787460 /nfs/dbraw/zinc/78/74/60/1073787460.db2.gz OIEXHJCWIHEOPG-HNNXBMFYSA-N 1 1 388.534 -0.043 20 0 GBADMO CN(C)C(=O)N1CCC(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000530940174 1073787295 /nfs/dbraw/zinc/78/72/95/1073787295.db2.gz OIEXHJCWIHEOPG-OAHLLOKOSA-N 1 1 388.534 -0.043 20 0 GBADMO CC(C)(C)NC(=O)C[NH+]1CCC(CNS(=O)(=O)N2CCOCC2)CC1 ZINC000530951445 530081422 /nfs/dbraw/zinc/08/14/22/530081422.db2.gz JLKDHDKKBSQLOF-UHFFFAOYSA-N 1 1 376.523 -0.220 20 0 GBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958175 1073788758 /nfs/dbraw/zinc/78/87/58/1073788758.db2.gz SLXUWUQQOZMJJJ-AZUAARDMSA-N 1 1 377.485 -0.225 20 0 GBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958176 1073788054 /nfs/dbraw/zinc/78/80/54/1073788054.db2.gz SLXUWUQQOZMJJJ-ICSRJNTNSA-N 1 1 377.485 -0.225 20 0 GBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958177 1073788721 /nfs/dbraw/zinc/78/87/21/1073788721.db2.gz SLXUWUQQOZMJJJ-QUCCMNQESA-N 1 1 377.485 -0.225 20 0 GBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958178 1073788482 /nfs/dbraw/zinc/78/84/82/1073788482.db2.gz SLXUWUQQOZMJJJ-UYAOXDASSA-N 1 1 377.485 -0.225 20 0 GBADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000531005473 1073790420 /nfs/dbraw/zinc/79/04/20/1073790420.db2.gz BWVLACKUANAYQF-AWEZNQCLSA-N 1 1 387.550 -0.122 20 0 GBADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000531005474 1073790180 /nfs/dbraw/zinc/79/01/80/1073790180.db2.gz BWVLACKUANAYQF-CQSZACIVSA-N 1 1 387.550 -0.122 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000531013586 1073791594 /nfs/dbraw/zinc/79/15/94/1073791594.db2.gz PUQONTUBAWZKDV-GOSISDBHSA-N 1 1 394.476 -0.830 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000531013587 1073791445 /nfs/dbraw/zinc/79/14/45/1073791445.db2.gz PUQONTUBAWZKDV-SFHVURJKSA-N 1 1 394.476 -0.830 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531017499 1073791051 /nfs/dbraw/zinc/79/10/51/1073791051.db2.gz FCDOXOBYRXANKA-UHFFFAOYSA-N 1 1 385.428 -0.514 20 0 GBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1)CC2 ZINC000531044816 1073791287 /nfs/dbraw/zinc/79/12/87/1073791287.db2.gz YSDOGGAEMIHLEN-CYBMUJFWSA-N 1 1 394.497 -0.058 20 0 GBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1)CC2 ZINC000531044817 1073791388 /nfs/dbraw/zinc/79/13/88/1073791388.db2.gz YSDOGGAEMIHLEN-ZDUSSCGKSA-N 1 1 394.497 -0.058 20 0 GBADMO C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCO1 ZINC000531047115 1073792513 /nfs/dbraw/zinc/79/25/13/1073792513.db2.gz FDJNMICHYIXUHV-AWEZNQCLSA-N 1 1 391.472 -0.038 20 0 GBADMO C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCO1 ZINC000531047116 1073792005 /nfs/dbraw/zinc/79/20/05/1073792005.db2.gz FDJNMICHYIXUHV-CQSZACIVSA-N 1 1 391.472 -0.038 20 0 GBADMO CC(=O)N[C@@H](CC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C(N)=O ZINC000531049494 1072292672 /nfs/dbraw/zinc/29/26/72/1072292672.db2.gz LVESZEGZHIPKQA-ROUUACIJSA-N 1 1 389.500 -0.139 20 0 GBADMO CC(=O)N[C@@H](CC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C(N)=O ZINC000531049494 1072292660 /nfs/dbraw/zinc/29/26/60/1072292660.db2.gz LVESZEGZHIPKQA-ROUUACIJSA-N 1 1 389.500 -0.139 20 0 GBADMO CC(=O)N[C@@H](CC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)C(N)=O ZINC000531049494 1072292651 /nfs/dbraw/zinc/29/26/51/1072292651.db2.gz LVESZEGZHIPKQA-ROUUACIJSA-N 1 1 389.500 -0.139 20 0 GBADMO CC(=O)N[C@@H](CC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC000531049496 1073792046 /nfs/dbraw/zinc/79/20/46/1073792046.db2.gz LVESZEGZHIPKQA-ZWKOTPCHSA-N 1 1 389.500 -0.139 20 0 GBADMO CC(=O)N[C@@H](CC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC000531049496 1073792038 /nfs/dbraw/zinc/79/20/38/1073792038.db2.gz LVESZEGZHIPKQA-ZWKOTPCHSA-N 1 1 389.500 -0.139 20 0 GBADMO CC(=O)N[C@@H](CC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)C(N)=O ZINC000531049496 1073792035 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-0.137 20 0 GBADMO CCc1nncn1CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000531060750 1073791615 /nfs/dbraw/zinc/79/16/15/1073791615.db2.gz SSVVYXDQGWYGAE-HNNXBMFYSA-N 1 1 378.477 -0.330 20 0 GBADMO CCc1nncn1CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000531060751 1073791508 /nfs/dbraw/zinc/79/15/08/1073791508.db2.gz SSVVYXDQGWYGAE-OAHLLOKOSA-N 1 1 378.477 -0.330 20 0 GBADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CCNS(C)(=O)=O)c2)CC1 ZINC000531073171 1073793180 /nfs/dbraw/zinc/79/31/80/1073793180.db2.gz XXKSPDWYQUNHRK-UHFFFAOYSA-N 1 1 382.486 -0.119 20 0 GBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000531073541 1072298715 /nfs/dbraw/zinc/29/87/15/1072298715.db2.gz STWFINAXPIESSC-GFCCVEGCSA-N 1 1 386.474 -0.026 20 0 GBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000531073542 1073793276 /nfs/dbraw/zinc/79/32/76/1073793276.db2.gz STWFINAXPIESSC-LBPRGKRZSA-N 1 1 386.474 -0.026 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 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MKADJXLYARDJJV-UHFFFAOYSA-N 1 1 387.444 -0.176 20 0 GBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000531164026 1073795787 /nfs/dbraw/zinc/79/57/87/1073795787.db2.gz LLPQZJFEMQAYHX-AWEZNQCLSA-N 1 1 387.444 -0.176 20 0 GBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000531164027 1073795710 /nfs/dbraw/zinc/79/57/10/1073795710.db2.gz LLPQZJFEMQAYHX-CQSZACIVSA-N 1 1 387.444 -0.176 20 0 GBADMO CN(CCCNC(=O)C[N@@H+](CC(C)(C)O)C1CCOCC1)S(C)(=O)=O ZINC000531177555 530133766 /nfs/dbraw/zinc/13/37/66/530133766.db2.gz QFBFZBUBBBFVKT-UHFFFAOYSA-N 1 1 379.523 -0.364 20 0 GBADMO C[NH+](C)CCN(C(=O)c1ccc(OCC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000531178598 1073796716 /nfs/dbraw/zinc/79/67/16/1073796716.db2.gz CBPGTQFWZYQSIQ-AWEZNQCLSA-N 1 1 383.470 -0.258 20 0 GBADMO C[NH+](C)CCN(C(=O)c1ccc(OCC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000531178599 1073796868 /nfs/dbraw/zinc/79/68/68/1073796868.db2.gz CBPGTQFWZYQSIQ-CQSZACIVSA-N 1 1 383.470 -0.258 20 0 GBADMO 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CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N1CCOCC1 ZINC000550277930 1073038710 /nfs/dbraw/zinc/03/87/10/1073038710.db2.gz QFUWQAAFYKMKDO-IAGOWNOFSA-N 1 1 398.548 -0.237 20 0 GBADMO CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)N1CCOCC1 ZINC000550277930 1073038698 /nfs/dbraw/zinc/03/86/98/1073038698.db2.gz QFUWQAAFYKMKDO-IAGOWNOFSA-N 1 1 398.548 -0.237 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)N1CCOCC1 ZINC000550277931 1073038015 /nfs/dbraw/zinc/03/80/15/1073038015.db2.gz QFUWQAAFYKMKDO-IRXDYDNUSA-N 1 1 398.548 -0.237 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)N1CCOCC1 ZINC000550277931 1073038014 /nfs/dbraw/zinc/03/80/14/1073038014.db2.gz QFUWQAAFYKMKDO-IRXDYDNUSA-N 1 1 398.548 -0.237 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)N1CCOCC1 ZINC000550277932 1073037986 /nfs/dbraw/zinc/03/79/86/1073037986.db2.gz QFUWQAAFYKMKDO-SJORKVTESA-N 1 1 398.548 -0.237 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)N1CCOCC1 ZINC000550277932 1073037982 /nfs/dbraw/zinc/03/79/82/1073037982.db2.gz QFUWQAAFYKMKDO-SJORKVTESA-N 1 1 398.548 -0.237 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCn2ccnc2)CC1 ZINC000550280168 1073040921 /nfs/dbraw/zinc/04/09/21/1073040921.db2.gz VFCDGJVBKVKLAI-UHFFFAOYSA-N 1 1 378.477 -0.504 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCCN1CCCC1=O ZINC000550280833 1073045969 /nfs/dbraw/zinc/04/59/69/1073045969.db2.gz NRNBFKFQUGOBON-HNNXBMFYSA-N 1 1 395.504 -0.826 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCCN1CCCC1=O ZINC000550280834 1073046289 /nfs/dbraw/zinc/04/62/89/1073046289.db2.gz NRNBFKFQUGOBON-OAHLLOKOSA-N 1 1 395.504 -0.826 20 0 GBADMO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000550292700 1073075164 /nfs/dbraw/zinc/07/51/64/1073075164.db2.gz ZTUPZQIDYRIHEZ-UHFFFAOYSA-N 1 1 376.505 -0.140 20 0 GBADMO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000550326194 1073120512 /nfs/dbraw/zinc/12/05/12/1073120512.db2.gz CAGPTNNPSJFPSU-IIAWOOMASA-N 1 1 383.445 -0.065 20 0 GBADMO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000550326197 1073120229 /nfs/dbraw/zinc/12/02/29/1073120229.db2.gz CAGPTNNPSJFPSU-IJEWVQPXSA-N 1 1 383.445 -0.065 20 0 GBADMO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000550326198 1073120486 /nfs/dbraw/zinc/12/04/86/1073120486.db2.gz CAGPTNNPSJFPSU-OFQRWUPVSA-N 1 1 383.445 -0.065 20 0 GBADMO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000550326199 1073120522 /nfs/dbraw/zinc/12/05/22/1073120522.db2.gz CAGPTNNPSJFPSU-SQWLQELKSA-N 1 1 383.445 -0.065 20 0 GBADMO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000550337874 1073122782 /nfs/dbraw/zinc/12/27/82/1073122782.db2.gz PNHIEUQRWBULRI-HNNXBMFYSA-N 1 1 375.473 -0.326 20 0 GBADMO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000550337875 1073122736 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CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000560589616 1072396720 /nfs/dbraw/zinc/39/67/20/1072396720.db2.gz KXNMNTFHVIZKFB-HZPDHXFCSA-N 1 1 382.505 -0.070 20 0 GBADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000560778289 1072407783 /nfs/dbraw/zinc/40/77/83/1072407783.db2.gz SSNSXUUOQXHDNV-GJZGRUSLSA-N 1 1 388.534 -0.237 20 0 GBADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000560778290 1072407252 /nfs/dbraw/zinc/40/72/52/1072407252.db2.gz SSNSXUUOQXHDNV-HUUCEWRRSA-N 1 1 388.534 -0.237 20 0 GBADMO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000560885216 530107900 /nfs/dbraw/zinc/10/79/00/530107900.db2.gz LOWJJUCWXIKLFQ-KBPBESRZSA-N 1 1 377.507 -0.648 20 0 GBADMO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000560885217 530107925 /nfs/dbraw/zinc/10/79/25/530107925.db2.gz LOWJJUCWXIKLFQ-KGLIPLIRSA-N 1 1 377.507 -0.648 20 0 GBADMO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000560885218 530107918 /nfs/dbraw/zinc/10/79/18/530107918.db2.gz LOWJJUCWXIKLFQ-UONOGXRCSA-N 1 1 377.507 -0.648 20 0 GBADMO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000560885219 530107871 /nfs/dbraw/zinc/10/78/71/530107871.db2.gz LOWJJUCWXIKLFQ-ZIAGYGMSSA-N 1 1 377.507 -0.648 20 0 GBADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000560901302 530107809 /nfs/dbraw/zinc/10/78/09/530107809.db2.gz XINAMDFPVKAUHD-AWEZNQCLSA-N 1 1 376.523 -0.378 20 0 GBADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000560901306 530107865 /nfs/dbraw/zinc/10/78/65/530107865.db2.gz XINAMDFPVKAUHD-CQSZACIVSA-N 1 1 376.523 -0.378 20 0 GBADMO CCS(=O)(=O)NCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000561038404 530107722 /nfs/dbraw/zinc/10/77/22/530107722.db2.gz CDVRLIWHANKISZ-YIONKMFJSA-N 1 1 397.563 -0.171 20 0 GBADMO COCCN(CCOC)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000561095183 530108166 /nfs/dbraw/zinc/10/81/66/530108166.db2.gz LUWVKJWLAWDQBM-AWEZNQCLSA-N 1 1 381.495 -0.605 20 0 GBADMO COCCN(CCOC)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000561095183 530108164 /nfs/dbraw/zinc/10/81/64/530108164.db2.gz LUWVKJWLAWDQBM-AWEZNQCLSA-N 1 1 381.495 -0.605 20 0 GBADMO COCCN(CCOC)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000561095190 530108243 /nfs/dbraw/zinc/10/82/43/530108243.db2.gz LUWVKJWLAWDQBM-CQSZACIVSA-N 1 1 381.495 -0.605 20 0 GBADMO COCCN(CCOC)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000561095190 530108241 /nfs/dbraw/zinc/10/82/41/530108241.db2.gz LUWVKJWLAWDQBM-CQSZACIVSA-N 1 1 381.495 -0.605 20 0 GBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000561119769 1072429978 /nfs/dbraw/zinc/42/99/78/1072429978.db2.gz AKPSCCWWKGJQNI-ZDUSSCGKSA-N 1 1 380.411 -0.080 20 0 GBADMO CCc1nc(CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000561152953 530108459 /nfs/dbraw/zinc/10/84/59/530108459.db2.gz YDUQYUGJJXFAHU-UHFFFAOYSA-N 1 1 387.531 -0.123 20 0 GBADMO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)NC1C[NH2+]C1 ZINC000561252196 530108650 /nfs/dbraw/zinc/10/86/50/530108650.db2.gz HBXKCSMMWNCZTI-UHFFFAOYSA-N 1 1 379.218 -0.062 20 0 GBADMO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)NC1C[NH2+]C1 ZINC000561252196 530108649 /nfs/dbraw/zinc/10/86/49/530108649.db2.gz HBXKCSMMWNCZTI-UHFFFAOYSA-N 1 1 379.218 -0.062 20 0 GBADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459034 530109563 /nfs/dbraw/zinc/10/95/63/530109563.db2.gz GLUVESMMWIAYIT-CYBMUJFWSA-N 1 1 392.547 -0.966 20 0 GBADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459037 530109615 /nfs/dbraw/zinc/10/96/15/530109615.db2.gz GLUVESMMWIAYIT-ZDUSSCGKSA-N 1 1 392.547 -0.966 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561460336 530109553 /nfs/dbraw/zinc/10/95/53/530109553.db2.gz WCPFUEOURHXSTN-CYBMUJFWSA-N 1 1 392.547 -0.918 20 0 GBADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561460338 530109588 /nfs/dbraw/zinc/10/95/88/530109588.db2.gz WCPFUEOURHXSTN-ZDUSSCGKSA-N 1 1 392.547 -0.918 20 0 GBADMO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000561530861 530109892 /nfs/dbraw/zinc/10/98/92/530109892.db2.gz AILYJHGYHSYPEY-HNNXBMFYSA-N 1 1 391.515 -0.280 20 0 GBADMO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000561530864 530109928 /nfs/dbraw/zinc/10/99/28/530109928.db2.gz AILYJHGYHSYPEY-OAHLLOKOSA-N 1 1 391.515 -0.280 20 0 GBADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000561644879 530110333 /nfs/dbraw/zinc/11/03/33/530110333.db2.gz HHBJQIBRBRCGGT-AWEZNQCLSA-N 1 1 376.523 -0.237 20 0 GBADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000561644880 530110212 /nfs/dbraw/zinc/11/02/12/530110212.db2.gz HHBJQIBRBRCGGT-CQSZACIVSA-N 1 1 376.523 -0.237 20 0 GBADMO CN(CCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CC[NH+](C)C ZINC000561730199 530110708 /nfs/dbraw/zinc/11/07/08/530110708.db2.gz LZCDQHFZUVWZHB-UHFFFAOYSA-N 1 1 378.520 -0.504 20 0 GBADMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000561730199 530110707 /nfs/dbraw/zinc/11/07/07/530110707.db2.gz LZCDQHFZUVWZHB-UHFFFAOYSA-N 1 1 378.520 -0.504 20 0 GBADMO Cc1cccc(CCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000561757737 1072472453 /nfs/dbraw/zinc/47/24/53/1072472453.db2.gz FAYDWIAOIFNFFC-UHFFFAOYSA-N 1 1 375.473 -0.282 20 0 GBADMO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000561758419 1072472418 /nfs/dbraw/zinc/47/24/18/1072472418.db2.gz PCUGCBLBSSVOSC-HNNXBMFYSA-N 1 1 381.521 -0.545 20 0 GBADMO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000562176293 530112027 /nfs/dbraw/zinc/11/20/27/530112027.db2.gz WLNFGULYCUJCSD-CQSZACIVSA-N 1 1 377.511 -0.721 20 0 GBADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000562745893 530113283 /nfs/dbraw/zinc/11/32/83/530113283.db2.gz SKHAYJFLAVZDMP-JTQLQIEISA-N 1 1 389.250 -0.326 20 0 GBADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000562745894 530113005 /nfs/dbraw/zinc/11/30/05/530113005.db2.gz SKHAYJFLAVZDMP-SNVBAGLBSA-N 1 1 389.250 -0.326 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000562778124 1072549973 /nfs/dbraw/zinc/54/99/73/1072549973.db2.gz FECDNMLJVQVNIM-QWHCGFSZSA-N 1 1 395.485 -0.245 20 0 GBADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000562778126 1072549572 /nfs/dbraw/zinc/54/95/72/1072549572.db2.gz FECDNMLJVQVNIM-STQMWFEESA-N 1 1 395.485 -0.245 20 0 GBADMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000563085610 1072260572 /nfs/dbraw/zinc/26/05/72/1072260572.db2.gz NYIZZFMTTCTCCO-HZPDHXFCSA-N 1 1 399.469 -0.351 20 0 GBADMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000563100584 1073587250 /nfs/dbraw/zinc/58/72/50/1073587250.db2.gz YJZKUWUJKMZFKG-KRWDZBQOSA-N 1 1 381.521 -0.096 20 0 GBADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000563100589 1073587702 /nfs/dbraw/zinc/58/77/02/1073587702.db2.gz YJZKUWUJKMZFKG-QGZVFWFLSA-N 1 1 381.521 -0.096 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC2(CCC2)O1 ZINC000563107136 1073588497 /nfs/dbraw/zinc/58/84/97/1073588497.db2.gz ANHKXUZVRIPONR-LSDHHAIUSA-N 1 1 380.489 -0.140 20 0 GBADMO O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563110003 1073588553 /nfs/dbraw/zinc/58/85/53/1073588553.db2.gz YPFXVUACKDJXKE-CHWSQXEVSA-N 1 1 378.395 -0.328 20 0 GBADMO O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563110004 1073588376 /nfs/dbraw/zinc/58/83/76/1073588376.db2.gz YPFXVUACKDJXKE-OLZOCXBDSA-N 1 1 378.395 -0.328 20 0 GBADMO O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563110005 1073588520 /nfs/dbraw/zinc/58/85/20/1073588520.db2.gz YPFXVUACKDJXKE-QWHCGFSZSA-N 1 1 378.395 -0.328 20 0 GBADMO O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563110006 1073588822 /nfs/dbraw/zinc/58/88/22/1073588822.db2.gz YPFXVUACKDJXKE-STQMWFEESA-N 1 1 378.395 -0.328 20 0 GBADMO O=C([C@H]1CCCN1c1nccs1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563111970 530192169 /nfs/dbraw/zinc/19/21/69/530192169.db2.gz CZWJUEUOBDTLSZ-CYBMUJFWSA-N 1 1 385.515 -0.442 20 0 GBADMO O=C([C@@H]1CCCN1c1nccs1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563111977 530192451 /nfs/dbraw/zinc/19/24/51/530192451.db2.gz CZWJUEUOBDTLSZ-ZDUSSCGKSA-N 1 1 385.515 -0.442 20 0 GBADMO O=C(CCNC(=O)c1cccs1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563112804 530192364 /nfs/dbraw/zinc/19/23/64/530192364.db2.gz JONWWZXIVVKIDQ-UHFFFAOYSA-N 1 1 386.499 -0.686 20 0 GBADMO CCC(=O)N[C@H](CCSC)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563113954 530192248 /nfs/dbraw/zinc/19/22/48/530192248.db2.gz XLFFHGXJTUWUBL-CYBMUJFWSA-N 1 1 392.547 -0.920 20 0 GBADMO CCC(=O)N[C@@H](CCSC)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563113972 530192326 /nfs/dbraw/zinc/19/23/26/530192326.db2.gz XLFFHGXJTUWUBL-ZDUSSCGKSA-N 1 1 392.547 -0.920 20 0 GBADMO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563130167 530192951 /nfs/dbraw/zinc/19/29/51/530192951.db2.gz UPCBTIMHGKHZKW-GFCCVEGCSA-N 1 1 383.442 -0.119 20 0 GBADMO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000563130175 530192713 /nfs/dbraw/zinc/19/27/13/530192713.db2.gz UPCBTIMHGKHZKW-LBPRGKRZSA-N 1 1 383.442 -0.119 20 0 GBADMO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1F ZINC000563135916 530192678 /nfs/dbraw/zinc/19/26/78/530192678.db2.gz YOQDGIMVIYDEMA-CHWSQXEVSA-N 1 1 378.447 -0.019 20 0 GBADMO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1F ZINC000563135929 530193002 /nfs/dbraw/zinc/19/30/02/530193002.db2.gz YOQDGIMVIYDEMA-OLZOCXBDSA-N 1 1 378.447 -0.019 20 0 GBADMO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cc1F ZINC000563135930 530192757 /nfs/dbraw/zinc/19/27/57/530192757.db2.gz YOQDGIMVIYDEMA-QWHCGFSZSA-N 1 1 378.447 -0.019 20 0 GBADMO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1F ZINC000563135931 530192795 /nfs/dbraw/zinc/19/27/95/530192795.db2.gz YOQDGIMVIYDEMA-STQMWFEESA-N 1 1 378.447 -0.019 20 0 GBADMO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1COC[C@H]1O ZINC000563139116 530192721 /nfs/dbraw/zinc/19/27/21/530192721.db2.gz ZEXGMYFGTAAJJP-VXGBXAGGSA-N 1 1 378.472 -0.940 20 0 GBADMO CNC(=O)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])Cc1ccc(F)cc1C ZINC000563143633 1072285575 /nfs/dbraw/zinc/28/55/75/1072285575.db2.gz NVTQGKNPZXCFOW-GFCCVEGCSA-N 1 1 388.390 -0.135 20 0 GBADMO CNC(=O)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])Cc1ccc(F)cc1C ZINC000563143640 1072285991 /nfs/dbraw/zinc/28/59/91/1072285991.db2.gz NVTQGKNPZXCFOW-LBPRGKRZSA-N 1 1 388.390 -0.135 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000563157148 1072289139 /nfs/dbraw/zinc/28/91/39/1072289139.db2.gz NCABFNSLCOLMNT-LBPRGKRZSA-N 1 1 376.404 -0.551 20 0 GBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2nnn(Cc3cc(C)no3)c2C)CC1 ZINC000563201674 1072298775 /nfs/dbraw/zinc/29/87/75/1072298775.db2.gz XLPHXHWSZRAPBL-UHFFFAOYSA-N 1 1 375.433 -0.175 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240527 530202724 /nfs/dbraw/zinc/20/27/24/530202724.db2.gz NCYBWNGNYPXZDV-HNNXBMFYSA-N 1 1 377.555 -0.401 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240528 530203011 /nfs/dbraw/zinc/20/30/11/530203011.db2.gz NCYBWNGNYPXZDV-OAHLLOKOSA-N 1 1 377.555 -0.401 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)CN1CCOCC1 ZINC000563257173 1072316110 /nfs/dbraw/zinc/31/61/10/1072316110.db2.gz IVCQFUINGUHKCC-INIZCTEOSA-N 1 1 384.521 -0.624 20 0 GBADMO C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)CN1CCOCC1 ZINC000563257177 1072316236 /nfs/dbraw/zinc/31/62/36/1072316236.db2.gz IVCQFUINGUHKCC-MRXNPFEDSA-N 1 1 384.521 -0.624 20 0 GBADMO C[N@H+]1CC[C@]2(CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)C1 ZINC000563263334 1072318269 /nfs/dbraw/zinc/31/82/69/1072318269.db2.gz ZCMQNTWXOTWWBE-KRWDZBQOSA-N 1 1 394.453 -0.204 20 0 GBADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)C1 ZINC000563263336 1072318447 /nfs/dbraw/zinc/31/84/47/1072318447.db2.gz ZCMQNTWXOTWWBE-QGZVFWFLSA-N 1 1 394.453 -0.204 20 0 GBADMO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000563289785 1072327239 /nfs/dbraw/zinc/32/72/39/1072327239.db2.gz WUDGMBSOTOBYJQ-UHFFFAOYSA-N 1 1 388.428 -0.173 20 0 GBADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000563329423 1072347333 /nfs/dbraw/zinc/34/73/33/1072347333.db2.gz YEFIGVDOKDSNHU-DLBZAZTESA-N 1 1 382.505 -0.166 20 0 GBADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000563329424 1072347214 /nfs/dbraw/zinc/34/72/14/1072347214.db2.gz YEFIGVDOKDSNHU-IAGOWNOFSA-N 1 1 382.505 -0.166 20 0 GBADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000563329425 1072346919 /nfs/dbraw/zinc/34/69/19/1072346919.db2.gz YEFIGVDOKDSNHU-IRXDYDNUSA-N 1 1 382.505 -0.166 20 0 GBADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000563329426 1072346949 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379.508 -0.245 20 0 GBADMO CS(=O)(=O)c1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000573119344 530506188 /nfs/dbraw/zinc/50/61/88/530506188.db2.gz PBDPBYNCUZVFJZ-UHFFFAOYSA-N 1 1 393.512 -0.789 20 0 GBADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000573211472 530505940 /nfs/dbraw/zinc/50/59/40/530505940.db2.gz QZQZQFCPCFGMHT-CYBMUJFWSA-N 1 1 394.563 -0.672 20 0 GBADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000573211473 530505972 /nfs/dbraw/zinc/50/59/72/530505972.db2.gz QZQZQFCPCFGMHT-ZDUSSCGKSA-N 1 1 394.563 -0.672 20 0 GBADMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC000573507320 530506888 /nfs/dbraw/zinc/50/68/88/530506888.db2.gz YFCIZQVGMRXBDU-CYBMUJFWSA-N 1 1 391.519 -0.706 20 0 GBADMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC000573507322 530507060 /nfs/dbraw/zinc/50/70/60/530507060.db2.gz YFCIZQVGMRXBDU-ZDUSSCGKSA-N 1 1 391.519 -0.706 20 0 GBADMO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCC[NH+]1CCSCC1 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1 376.523 -0.054 20 0 GBADMO O=C(c1cncc(Br)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573723593 530104289 /nfs/dbraw/zinc/10/42/89/530104289.db2.gz RXUPDIIMKQGTHX-UHFFFAOYSA-N 1 1 389.275 -0.097 20 0 GBADMO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(F)(F)F ZINC000574227988 530507766 /nfs/dbraw/zinc/50/77/66/530507766.db2.gz DYMNRUFSVSRNCQ-GHMZBOCLSA-N 1 1 389.444 -0.646 20 0 GBADMO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(F)(F)F ZINC000574227989 530507638 /nfs/dbraw/zinc/50/76/38/530507638.db2.gz DYMNRUFSVSRNCQ-MNOVXSKESA-N 1 1 389.444 -0.646 20 0 GBADMO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(F)(F)F ZINC000574227990 530507714 /nfs/dbraw/zinc/50/77/14/530507714.db2.gz DYMNRUFSVSRNCQ-QWRGUYRKSA-N 1 1 389.444 -0.646 20 0 GBADMO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(F)(F)F ZINC000574227991 530507812 /nfs/dbraw/zinc/50/78/12/530507812.db2.gz DYMNRUFSVSRNCQ-WDEREUQCSA-N 1 1 389.444 -0.646 20 0 GBADMO O=C(CCS(=O)(=O)C1CCCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000574276239 530508234 /nfs/dbraw/zinc/50/82/34/530508234.db2.gz PRQKYXOBTCMQGK-UHFFFAOYSA-N 1 1 393.531 -0.820 20 0 GBADMO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)CN2CCN(C)CC2)s1 ZINC000574444996 530508346 /nfs/dbraw/zinc/50/83/46/530508346.db2.gz LHKGQQDXHQKBDN-AWEZNQCLSA-N 1 1 376.548 -0.467 20 0 GBADMO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CN2CCN(C)CC2)s1 ZINC000574444997 530508210 /nfs/dbraw/zinc/50/82/10/530508210.db2.gz LHKGQQDXHQKBDN-CQSZACIVSA-N 1 1 376.548 -0.467 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1 ZINC000574476250 530508252 /nfs/dbraw/zinc/50/82/52/530508252.db2.gz HZSNYFCQPALTFH-GFCCVEGCSA-N 1 1 377.488 -0.406 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000574476250 530508249 /nfs/dbraw/zinc/50/82/49/530508249.db2.gz HZSNYFCQPALTFH-GFCCVEGCSA-N 1 1 377.488 -0.406 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](CCOC)C2)c1 ZINC000574476251 530508201 /nfs/dbraw/zinc/50/82/01/530508201.db2.gz HZSNYFCQPALTFH-LBPRGKRZSA-N 1 1 377.488 -0.406 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000574476251 530508199 /nfs/dbraw/zinc/50/81/99/530508199.db2.gz HZSNYFCQPALTFH-LBPRGKRZSA-N 1 1 377.488 -0.406 20 0 GBADMO CN1CCN(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000574565616 530508144 /nfs/dbraw/zinc/50/81/44/530508144.db2.gz XVWIBHQFCLKWFW-HNNXBMFYSA-N 1 1 390.937 -0.184 20 0 GBADMO CN1CCN(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000574565617 530508005 /nfs/dbraw/zinc/50/80/05/530508005.db2.gz XVWIBHQFCLKWFW-OAHLLOKOSA-N 1 1 390.937 -0.184 20 0 GBADMO CNS(=O)(=O)NCC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000574717291 530508766 /nfs/dbraw/zinc/50/87/66/530508766.db2.gz MUERFXMVJMIRHH-GFCCVEGCSA-N 1 1 375.520 -0.793 20 0 GBADMO CNS(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000574717296 530508596 /nfs/dbraw/zinc/50/85/96/530508596.db2.gz MUERFXMVJMIRHH-LBPRGKRZSA-N 1 1 375.520 -0.793 20 0 GBADMO C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)CC1 ZINC000574770386 530508752 /nfs/dbraw/zinc/50/87/52/530508752.db2.gz JHFLWQTXFPSOSD-UHFFFAOYSA-N 1 1 377.492 -0.277 20 0 GBADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000574911276 1072944269 /nfs/dbraw/zinc/94/42/69/1072944269.db2.gz YOGVOJJMFTZZHB-ZACQAIPSSA-N 1 1 391.516 -0.648 20 0 GBADMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000574911276 1072944264 /nfs/dbraw/zinc/94/42/64/1072944264.db2.gz YOGVOJJMFTZZHB-ZACQAIPSSA-N 1 1 391.516 -0.648 20 0 GBADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000574937288 530124993 /nfs/dbraw/zinc/12/49/93/530124993.db2.gz AGENPJRHIXBBKN-AWEZNQCLSA-N 1 1 376.523 -0.378 20 0 GBADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000574937289 530125005 /nfs/dbraw/zinc/12/50/05/530125005.db2.gz AGENPJRHIXBBKN-CQSZACIVSA-N 1 1 376.523 -0.378 20 0 GBADMO CCS(=O)(=O)N1CC(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 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ZQTNXAPUEUNNPP-DZGCQCFKSA-N 1 1 377.489 -0.849 20 0 GBADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@H+]1C1CC1 ZINC000580002977 1072346586 /nfs/dbraw/zinc/34/65/86/1072346586.db2.gz ZQTNXAPUEUNNPP-HIFRSBDPSA-N 1 1 377.489 -0.849 20 0 GBADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@H+]1C1CC1 ZINC000580002978 1072346764 /nfs/dbraw/zinc/34/67/64/1072346764.db2.gz ZQTNXAPUEUNNPP-UKRRQHHQSA-N 1 1 377.489 -0.849 20 0 GBADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@H+]1C1CC1 ZINC000580002979 1072346646 /nfs/dbraw/zinc/34/66/46/1072346646.db2.gz ZQTNXAPUEUNNPP-ZFWWWQNUSA-N 1 1 377.489 -0.849 20 0 GBADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000580058920 1072416265 /nfs/dbraw/zinc/41/62/65/1072416265.db2.gz JOMLGDOWHLBCOF-UHFFFAOYSA-N 1 1 381.521 -0.399 20 0 GBADMO O=C(C(=O)N1CC[C@@H](CC2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580062788 1072416660 /nfs/dbraw/zinc/41/66/60/1072416660.db2.gz KYVODSKMWNFKMO-AWEZNQCLSA-N 1 1 384.502 -0.919 20 0 GBADMO O=C(C(=O)N1CC[C@H](CC2CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580062789 1072416539 /nfs/dbraw/zinc/41/65/39/1072416539.db2.gz KYVODSKMWNFKMO-CQSZACIVSA-N 1 1 384.502 -0.919 20 0 GBADMO Cc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000580080679 1072420135 /nfs/dbraw/zinc/42/01/35/1072420135.db2.gz MUDUWTHTMPGFAO-UHFFFAOYSA-N 1 1 394.457 -0.958 20 0 GBADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000580081889 1072419205 /nfs/dbraw/zinc/41/92/05/1072419205.db2.gz HSWWVDVNJHLOJX-INIZCTEOSA-N 1 1 381.521 -0.354 20 0 GBADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000580081890 1072419271 /nfs/dbraw/zinc/41/92/71/1072419271.db2.gz HSWWVDVNJHLOJX-MRXNPFEDSA-N 1 1 381.521 -0.354 20 0 GBADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000580083347 1072419953 /nfs/dbraw/zinc/41/99/53/1072419953.db2.gz POEGGIMDHVMHKG-CYBMUJFWSA-N 1 1 377.445 -0.491 20 0 GBADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000580083348 1072420213 /nfs/dbraw/zinc/42/02/13/1072420213.db2.gz POEGGIMDHVMHKG-ZDUSSCGKSA-N 1 1 377.445 -0.491 20 0 GBADMO NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000580089703 1072420867 /nfs/dbraw/zinc/42/08/67/1072420867.db2.gz VVJUFIRAISMNCR-UHFFFAOYSA-N 1 1 388.428 -0.199 20 0 GBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000580090464 1072419917 /nfs/dbraw/zinc/41/99/17/1072419917.db2.gz BOOSPUZKHKUSDN-UHFFFAOYSA-N 1 1 375.429 -0.605 20 0 GBADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H](N3CCOCC3)C1)c(=O)n2C ZINC000580090971 1072421118 /nfs/dbraw/zinc/42/11/18/1072421118.db2.gz LSFCBWJIBZZCDN-HNNXBMFYSA-N 1 1 390.488 -0.380 20 0 GBADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H](N3CCOCC3)C1)c(=O)n2C ZINC000580090972 1072421031 /nfs/dbraw/zinc/42/10/31/1072421031.db2.gz LSFCBWJIBZZCDN-OAHLLOKOSA-N 1 1 390.488 -0.380 20 0 GBADMO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1F ZINC000580095905 530126820 /nfs/dbraw/zinc/12/68/20/530126820.db2.gz LOYLTYLRIGHICD-UHFFFAOYSA-N 1 1 395.478 -0.068 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000580096197 530127233 /nfs/dbraw/zinc/12/72/33/530127233.db2.gz XDRWYAPKWQCAMV-GFCCVEGCSA-N 1 1 377.488 -0.541 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000580096197 530127230 /nfs/dbraw/zinc/12/72/30/530127230.db2.gz XDRWYAPKWQCAMV-GFCCVEGCSA-N 1 1 377.488 -0.541 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000580096198 530127145 /nfs/dbraw/zinc/12/71/45/530127145.db2.gz XDRWYAPKWQCAMV-LBPRGKRZSA-N 1 1 377.488 -0.541 20 0 GBADMO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000580096198 530127142 /nfs/dbraw/zinc/12/71/42/530127142.db2.gz XDRWYAPKWQCAMV-LBPRGKRZSA-N 1 1 377.488 -0.541 20 0 GBADMO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000580102799 1072421983 /nfs/dbraw/zinc/42/19/83/1072421983.db2.gz NFKKGZUFFPJLPA-AWEZNQCLSA-N 1 1 379.461 -0.721 20 0 GBADMO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000580102800 1072421852 /nfs/dbraw/zinc/42/18/52/1072421852.db2.gz NFKKGZUFFPJLPA-CQSZACIVSA-N 1 1 379.461 -0.721 20 0 GBADMO CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000580120717 1072423557 /nfs/dbraw/zinc/42/35/57/1072423557.db2.gz IOFJVSJUGVAQAP-UHFFFAOYSA-N 1 1 383.537 -0.251 20 0 GBADMO CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000580120717 1072423552 /nfs/dbraw/zinc/42/35/52/1072423552.db2.gz IOFJVSJUGVAQAP-UHFFFAOYSA-N 1 1 383.537 -0.251 20 0 GBADMO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580127083 1072425611 /nfs/dbraw/zinc/42/56/11/1072425611.db2.gz VJNWKOIHXMJMKU-HNNXBMFYSA-N 1 1 376.461 -0.761 20 0 GBADMO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580127084 1072993474 /nfs/dbraw/zinc/99/34/74/1072993474.db2.gz VJNWKOIHXMJMKU-OAHLLOKOSA-N 1 1 376.461 -0.761 20 0 GBADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2=O)cn1 ZINC000580130568 1072424663 /nfs/dbraw/zinc/42/46/63/1072424663.db2.gz ZOSAUCIRMGUDED-HNNXBMFYSA-N 1 1 390.488 -0.168 20 0 GBADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2=O)cn1 ZINC000580130569 1072424499 /nfs/dbraw/zinc/42/44/99/1072424499.db2.gz ZOSAUCIRMGUDED-OAHLLOKOSA-N 1 1 390.488 -0.168 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000580134988 1072425395 /nfs/dbraw/zinc/42/53/95/1072425395.db2.gz FHVINFUCPJVWIF-UHFFFAOYSA-N 1 1 382.486 -0.413 20 0 GBADMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165517 1072430473 /nfs/dbraw/zinc/43/04/73/1072430473.db2.gz WUFWVSBMFKTIJG-CABCVRRESA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165517 1072430470 /nfs/dbraw/zinc/43/04/70/1072430470.db2.gz WUFWVSBMFKTIJG-CABCVRRESA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165518 1072430201 /nfs/dbraw/zinc/43/02/01/1072430201.db2.gz WUFWVSBMFKTIJG-GJZGRUSLSA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165518 1072430191 /nfs/dbraw/zinc/43/01/91/1072430191.db2.gz WUFWVSBMFKTIJG-GJZGRUSLSA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165519 1072430401 /nfs/dbraw/zinc/43/04/01/1072430401.db2.gz WUFWVSBMFKTIJG-HUUCEWRRSA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165519 1072430400 /nfs/dbraw/zinc/43/04/00/1072430400.db2.gz WUFWVSBMFKTIJG-HUUCEWRRSA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165520 1072430387 /nfs/dbraw/zinc/43/03/87/1072430387.db2.gz WUFWVSBMFKTIJG-LSDHHAIUSA-N 1 1 388.472 -0.320 20 0 GBADMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000580165520 1072430385 /nfs/dbraw/zinc/43/03/85/1072430385.db2.gz WUFWVSBMFKTIJG-LSDHHAIUSA-N 1 1 388.472 -0.320 20 0 GBADMO COc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000580171765 1072430979 /nfs/dbraw/zinc/43/09/79/1072430979.db2.gz WBUMKFNZFLJPSC-UHFFFAOYSA-N 1 1 398.485 -0.167 20 0 GBADMO C[C@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCO[C@H]1C1CC1 ZINC000580172491 1072432464 /nfs/dbraw/zinc/43/24/64/1072432464.db2.gz UGTCVPAPFGRETP-DOTOQJQBSA-N 1 1 386.518 -0.180 20 0 GBADMO C[C@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCO[C@@H]1C1CC1 ZINC000580172499 1072432731 /nfs/dbraw/zinc/43/27/31/1072432731.db2.gz UGTCVPAPFGRETP-NVXWUHKLSA-N 1 1 386.518 -0.180 20 0 GBADMO C[C@@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCO[C@H]1C1CC1 ZINC000580172500 1072432572 /nfs/dbraw/zinc/43/25/72/1072432572.db2.gz UGTCVPAPFGRETP-RDJZCZTQSA-N 1 1 386.518 -0.180 20 0 GBADMO C[C@@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCO[C@@H]1C1CC1 ZINC000580172502 1072432666 /nfs/dbraw/zinc/43/26/66/1072432666.db2.gz UGTCVPAPFGRETP-WBVHZDCISA-N 1 1 386.518 -0.180 20 0 GBADMO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@@H](C)C[N@H+]1CCO ZINC000580173854 1072432737 /nfs/dbraw/zinc/43/27/37/1072432737.db2.gz CFUWUOUTDPYLAN-QLFBSQMISA-N 1 1 391.538 -0.646 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580173855 1073010111 /nfs/dbraw/zinc/01/01/11/1073010111.db2.gz CFUWUOUTDPYLAN-RBSFLKMASA-N 1 1 391.538 -0.646 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580173856 1072432308 /nfs/dbraw/zinc/43/23/08/1072432308.db2.gz CFUWUOUTDPYLAN-RRFJBIMHSA-N 1 1 391.538 -0.646 20 0 GBADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580173857 1072432508 /nfs/dbraw/zinc/43/25/08/1072432508.db2.gz CFUWUOUTDPYLAN-SOUVJXGZSA-N 1 1 391.538 -0.646 20 0 GBADMO COC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000580182556 1073013714 /nfs/dbraw/zinc/01/37/14/1073013714.db2.gz JYONTFNXPKHQCA-CVEARBPZSA-N 1 1 380.489 -0.316 20 0 GBADMO COC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000580182557 1072433263 /nfs/dbraw/zinc/43/32/63/1072433263.db2.gz JYONTFNXPKHQCA-HOTGVXAUSA-N 1 1 380.489 -0.316 20 0 GBADMO COC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000580182558 1072433502 /nfs/dbraw/zinc/43/35/02/1072433502.db2.gz JYONTFNXPKHQCA-HZPDHXFCSA-N 1 1 380.489 -0.316 20 0 GBADMO COC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000580182559 1072434292 /nfs/dbraw/zinc/43/42/92/1072434292.db2.gz JYONTFNXPKHQCA-JKSUJKDBSA-N 1 1 380.489 -0.316 20 0 GBADMO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000580215419 1072436884 /nfs/dbraw/zinc/43/68/84/1072436884.db2.gz DYQQOHAIGPREQR-GDBMZVCRSA-N 1 1 393.532 -0.165 20 0 GBADMO 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CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000612199331 530360018 /nfs/dbraw/zinc/36/00/18/530360018.db2.gz ZNBGMQWQBOFXAA-YIYPIFLZSA-N 1 1 375.491 -0.706 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000612199344 530360475 /nfs/dbraw/zinc/36/04/75/530360475.db2.gz ZREOCPFZRXDVPP-RFQIPJPRSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000612199344 530360474 /nfs/dbraw/zinc/36/04/74/530360474.db2.gz ZREOCPFZRXDVPP-RFQIPJPRSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000612199345 530360441 /nfs/dbraw/zinc/36/04/41/530360441.db2.gz ZREOCPFZRXDVPP-XDQVBPFNSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000612199345 530360440 /nfs/dbraw/zinc/36/04/40/530360440.db2.gz ZREOCPFZRXDVPP-XDQVBPFNSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000612199346 530360459 /nfs/dbraw/zinc/36/04/59/530360459.db2.gz ZREOCPFZRXDVPP-YIYPIFLZSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000612199346 530360458 /nfs/dbraw/zinc/36/04/58/530360458.db2.gz ZREOCPFZRXDVPP-YIYPIFLZSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000612199347 530360233 /nfs/dbraw/zinc/36/02/33/530360233.db2.gz ZREOCPFZRXDVPP-ZOBORPQBSA-N 1 1 375.491 -0.849 20 0 GBADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000612199347 530360232 /nfs/dbraw/zinc/36/02/32/530360232.db2.gz ZREOCPFZRXDVPP-ZOBORPQBSA-N 1 1 375.491 -0.849 20 0 GBADMO COC[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc(OC)c1 ZINC000612215481 1072771389 /nfs/dbraw/zinc/77/13/89/1072771389.db2.gz MUXLQHIXNCNVBO-UXLLHSPISA-N 1 1 377.441 -0.224 20 0 GBADMO COC[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc(OC)c1 ZINC000612215482 1072771334 /nfs/dbraw/zinc/77/13/34/1072771334.db2.gz MUXLQHIXNCNVBO-ZMSDIMECSA-N 1 1 377.441 -0.224 20 0 GBADMO CN1CC[NH+](C(C)(C)CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000612298796 530361320 /nfs/dbraw/zinc/36/13/20/530361320.db2.gz COTGYMWKEZLYGT-UHFFFAOYSA-N 1 1 375.539 -0.264 20 0 GBADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000612322558 1072806593 /nfs/dbraw/zinc/80/65/93/1072806593.db2.gz FLBCRBSGDPGTEX-UHFFFAOYSA-N 1 1 397.520 -0.179 20 0 GBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000612322558 1072806585 /nfs/dbraw/zinc/80/65/85/1072806585.db2.gz FLBCRBSGDPGTEX-UHFFFAOYSA-N 1 1 397.520 -0.179 20 0 GBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)CC1 ZINC000612322849 1072806686 /nfs/dbraw/zinc/80/66/86/1072806686.db2.gz UZOJLRBHWIENJW-UHFFFAOYSA-N 1 1 395.504 -0.569 20 0 GBADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000612332206 1072807694 /nfs/dbraw/zinc/80/76/94/1072807694.db2.gz SLTMLVLAIVOYNR-UHFFFAOYSA-N 1 1 394.564 -0.038 20 0 GBADMO CC(C)NC(=O)CN1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000612332284 1072807732 /nfs/dbraw/zinc/80/77/32/1072807732.db2.gz VPZVOZZMLINACG-UHFFFAOYSA-N 1 1 382.553 -0.136 20 0 GBADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000612333547 1072808995 /nfs/dbraw/zinc/80/89/95/1072808995.db2.gz RXXYERJZTWYXIU-UHFFFAOYSA-N 1 1 396.536 -0.609 20 0 GBADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000612333628 530361750 /nfs/dbraw/zinc/36/17/50/530361750.db2.gz TUIHWUXMYALXLD-UHFFFAOYSA-N 1 1 375.539 -0.311 20 0 GBADMO CCS(=O)(=O)N(C)CCCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000612333917 530361811 /nfs/dbraw/zinc/36/18/11/530361811.db2.gz WVPAJNRQXGMFPJ-UHFFFAOYSA-N 1 1 377.555 -0.017 20 0 GBADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000612334128 1072808453 /nfs/dbraw/zinc/80/84/53/1072808453.db2.gz ZOVUPYVNWAUVFY-UHFFFAOYSA-N 1 1 394.520 -0.855 20 0 GBADMO CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000612334144 1072808670 /nfs/dbraw/zinc/80/86/70/1072808670.db2.gz ZVJVNNSLBDQOMG-UHFFFAOYSA-N 1 1 390.554 -0.854 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000612336861 1072809723 /nfs/dbraw/zinc/80/97/23/1072809723.db2.gz JSHCMDLKCNJSQS-CVEARBPZSA-N 1 1 389.566 -0.018 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000612336863 1072809600 /nfs/dbraw/zinc/80/96/00/1072809600.db2.gz JSHCMDLKCNJSQS-HOTGVXAUSA-N 1 1 389.566 -0.018 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000612336864 1072809985 /nfs/dbraw/zinc/80/99/85/1072809985.db2.gz JSHCMDLKCNJSQS-HZPDHXFCSA-N 1 1 389.566 -0.018 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000612336865 1072809569 /nfs/dbraw/zinc/80/95/69/1072809569.db2.gz JSHCMDLKCNJSQS-JKSUJKDBSA-N 1 1 389.566 -0.018 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000612337214 530361561 /nfs/dbraw/zinc/36/15/61/530361561.db2.gz NKDBWFYCMAFOIM-HNNXBMFYSA-N 1 1 375.539 -0.455 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000612337217 530361870 /nfs/dbraw/zinc/36/18/70/530361870.db2.gz NKDBWFYCMAFOIM-OAHLLOKOSA-N 1 1 375.539 -0.455 20 0 GBADMO CC(C)[C@H](CNC(=O)NCCCN(C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000612338876 530361670 /nfs/dbraw/zinc/36/16/70/530361670.db2.gz RYYAQYFDLIGJFF-HNNXBMFYSA-N 1 1 377.555 -0.161 20 0 GBADMO CC(C)[C@@H](CNC(=O)NCCCN(C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000612338877 530361755 /nfs/dbraw/zinc/36/17/55/530361755.db2.gz RYYAQYFDLIGJFF-OAHLLOKOSA-N 1 1 377.555 -0.161 20 0 GBADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000612401772 1072815175 /nfs/dbraw/zinc/81/51/75/1072815175.db2.gz RBSNQJYMDNYDHS-UHFFFAOYSA-N 1 1 390.554 -0.854 20 0 GBADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000612403087 530362086 /nfs/dbraw/zinc/36/20/86/530362086.db2.gz WQVUJAWAOPCTEX-HNNXBMFYSA-N 1 1 375.539 -0.264 20 0 GBADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000612403088 530361977 /nfs/dbraw/zinc/36/19/77/530361977.db2.gz WQVUJAWAOPCTEX-OAHLLOKOSA-N 1 1 375.539 -0.264 20 0 GBADMO CCC1(Cn2cc(C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)nn2)COC1 ZINC000612408141 1072815191 /nfs/dbraw/zinc/81/51/91/1072815191.db2.gz GNELJNAXAYEDGV-UHFFFAOYSA-N 1 1 378.477 -0.059 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612408241 1072815885 /nfs/dbraw/zinc/81/58/85/1072815885.db2.gz ILXSNNRZLSTANS-UHFFFAOYSA-N 1 1 379.465 -0.809 20 0 GBADMO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000612409258 1072815819 /nfs/dbraw/zinc/81/58/19/1072815819.db2.gz CLVUMQHSWKQFIC-MRXNPFEDSA-N 1 1 388.534 -0.285 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000612411678 1072815210 /nfs/dbraw/zinc/81/52/10/1072815210.db2.gz XPZRZQGKWSVWCR-UHFFFAOYSA-N 1 1 397.501 -0.830 20 0 GBADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1(n2cnnn2)CCOCC1 ZINC000612415461 1072816356 /nfs/dbraw/zinc/81/63/56/1072816356.db2.gz YNOLRPXGYZAXGI-QGZVFWFLSA-N 1 1 386.456 -0.286 20 0 GBADMO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612439330 1072818404 /nfs/dbraw/zinc/81/84/04/1072818404.db2.gz GXJUQNZOSVIHJE-INIZCTEOSA-N 1 1 393.532 -0.210 20 0 GBADMO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612439331 1072818494 /nfs/dbraw/zinc/81/84/94/1072818494.db2.gz GXJUQNZOSVIHJE-MRXNPFEDSA-N 1 1 393.532 -0.210 20 0 GBADMO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612440614 1072818201 /nfs/dbraw/zinc/81/82/01/1072818201.db2.gz SBXOXNJNWIKAHX-HNNXBMFYSA-N 1 1 380.489 -0.173 20 0 GBADMO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612440615 1072818109 /nfs/dbraw/zinc/81/81/09/1072818109.db2.gz SBXOXNJNWIKAHX-OAHLLOKOSA-N 1 1 380.489 -0.173 20 0 GBADMO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612442887 1072819669 /nfs/dbraw/zinc/81/96/69/1072819669.db2.gz BKDUXHDFEMXBQK-AWEZNQCLSA-N 1 1 386.518 -0.387 20 0 GBADMO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612442888 1072819821 /nfs/dbraw/zinc/81/98/21/1072819821.db2.gz BKDUXHDFEMXBQK-CQSZACIVSA-N 1 1 386.518 -0.387 20 0 GBADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000612445049 1072819561 /nfs/dbraw/zinc/81/95/61/1072819561.db2.gz UKRUJWGCGBPQNM-DOTOQJQBSA-N 1 1 380.489 -0.127 20 0 GBADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000612445050 1072819697 /nfs/dbraw/zinc/81/96/97/1072819697.db2.gz UKRUJWGCGBPQNM-NVXWUHKLSA-N 1 1 380.489 -0.127 20 0 GBADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000612445051 1072819135 /nfs/dbraw/zinc/81/91/35/1072819135.db2.gz UKRUJWGCGBPQNM-RDJZCZTQSA-N 1 1 380.489 -0.127 20 0 GBADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000612445052 1072819418 /nfs/dbraw/zinc/81/94/18/1072819418.db2.gz UKRUJWGCGBPQNM-WBVHZDCISA-N 1 1 380.489 -0.127 20 0 GBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445668 1072819501 /nfs/dbraw/zinc/81/95/01/1072819501.db2.gz NUZNQFVNEZGTTN-AEFFLSMTSA-N 1 1 396.532 -0.339 20 0 GBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445669 1072819848 /nfs/dbraw/zinc/81/98/48/1072819848.db2.gz NUZNQFVNEZGTTN-FUHWJXTLSA-N 1 1 396.532 -0.339 20 0 GBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445670 1072819286 /nfs/dbraw/zinc/81/92/86/1072819286.db2.gz NUZNQFVNEZGTTN-SJLPKXTDSA-N 1 1 396.532 -0.339 20 0 GBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445671 1072819344 /nfs/dbraw/zinc/81/93/44/1072819344.db2.gz NUZNQFVNEZGTTN-WMZOPIPTSA-N 1 1 396.532 -0.339 20 0 GBADMO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612446648 1072819459 /nfs/dbraw/zinc/81/94/59/1072819459.db2.gz WRIPSZNNANEEDQ-HNNXBMFYSA-N 1 1 393.532 -0.082 20 0 GBADMO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612446649 1072819790 /nfs/dbraw/zinc/81/97/90/1072819790.db2.gz WRIPSZNNANEEDQ-OAHLLOKOSA-N 1 1 393.532 -0.082 20 0 GBADMO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612448622 1072819738 /nfs/dbraw/zinc/81/97/38/1072819738.db2.gz XPQBNHDGJJDFLV-HNNXBMFYSA-N 1 1 389.504 -0.013 20 0 GBADMO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612448623 1072819436 /nfs/dbraw/zinc/81/94/36/1072819436.db2.gz XPQBNHDGJJDFLV-OAHLLOKOSA-N 1 1 389.504 -0.013 20 0 GBADMO Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459705 1072820859 /nfs/dbraw/zinc/82/08/59/1072820859.db2.gz RFIHELLVHWDKTO-MWDXBVQZSA-N 1 1 375.473 -0.475 20 0 GBADMO Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459706 1072820615 /nfs/dbraw/zinc/82/06/15/1072820615.db2.gz RFIHELLVHWDKTO-NXOAAHMSSA-N 1 1 375.473 -0.475 20 0 GBADMO Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459707 1072820832 /nfs/dbraw/zinc/82/08/32/1072820832.db2.gz RFIHELLVHWDKTO-TWMKSMIVSA-N 1 1 375.473 -0.475 20 0 GBADMO Cn1cc(C[C@H]2CCC[C@H]2NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459708 1072820796 /nfs/dbraw/zinc/82/07/96/1072820796.db2.gz RFIHELLVHWDKTO-YYIAUSFCSA-N 1 1 375.473 -0.475 20 0 GBADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H](C)O1 ZINC000612465396 1072820296 /nfs/dbraw/zinc/82/02/96/1072820296.db2.gz HSUUOIFVCBPDMH-PHIMTYICSA-N 1 1 383.474 -0.526 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 ZINC000612521610 1072827561 /nfs/dbraw/zinc/82/75/61/1072827561.db2.gz APQVERLLMWGCKK-AWEZNQCLSA-N 1 1 396.469 -0.582 20 0 GBADMO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 ZINC000612521610 1072827553 /nfs/dbraw/zinc/82/75/53/1072827553.db2.gz APQVERLLMWGCKK-AWEZNQCLSA-N 1 1 396.469 -0.582 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 ZINC000612521611 1072827668 /nfs/dbraw/zinc/82/76/68/1072827668.db2.gz APQVERLLMWGCKK-CQSZACIVSA-N 1 1 396.469 -0.582 20 0 GBADMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 ZINC000612521611 1072827661 /nfs/dbraw/zinc/82/76/61/1072827661.db2.gz APQVERLLMWGCKK-CQSZACIVSA-N 1 1 396.469 -0.582 20 0 GBADMO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000612521648 1072828613 /nfs/dbraw/zinc/82/86/13/1072828613.db2.gz BLKKPIRJQGGXGT-GFCCVEGCSA-N 1 1 384.458 -0.386 20 0 GBADMO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000612521649 1072828597 /nfs/dbraw/zinc/82/85/97/1072828597.db2.gz BLKKPIRJQGGXGT-LBPRGKRZSA-N 1 1 384.458 -0.386 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612522117 1072828915 /nfs/dbraw/zinc/82/89/15/1072828915.db2.gz GZXAXGSPKQRFFR-HNNXBMFYSA-N 1 1 391.476 -0.666 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612522118 1072828946 /nfs/dbraw/zinc/82/89/46/1072828946.db2.gz GZXAXGSPKQRFFR-OAHLLOKOSA-N 1 1 391.476 -0.666 20 0 GBADMO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000612522151 1072828863 /nfs/dbraw/zinc/82/88/63/1072828863.db2.gz HGPHPVRUNDKOCA-CYBMUJFWSA-N 1 1 395.485 -0.433 20 0 GBADMO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000612522152 1072828766 /nfs/dbraw/zinc/82/87/66/1072828766.db2.gz HGPHPVRUNDKOCA-ZDUSSCGKSA-N 1 1 395.485 -0.433 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000612522595 530362258 /nfs/dbraw/zinc/36/22/58/530362258.db2.gz KADWAMIFVHMGQN-LLVKDONJSA-N 1 1 386.499 -0.226 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000612522596 530362151 /nfs/dbraw/zinc/36/21/51/530362151.db2.gz KADWAMIFVHMGQN-NSHDSACASA-N 1 1 386.499 -0.226 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000612523668 1072829368 /nfs/dbraw/zinc/82/93/68/1072829368.db2.gz QQIUFMBDDPCXGG-CYBMUJFWSA-N 1 1 386.460 -0.436 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000612523685 1072828733 /nfs/dbraw/zinc/82/87/33/1072828733.db2.gz QQIUFMBDDPCXGG-ZDUSSCGKSA-N 1 1 386.460 -0.436 20 0 GBADMO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)n1cnc2c1ncnc2N ZINC000612524945 1072829100 /nfs/dbraw/zinc/82/91/00/1072829100.db2.gz YXRDPKOHSPCYFS-CHWSQXEVSA-N 1 1 386.460 -0.266 20 0 GBADMO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)n1cnc2c1ncnc2N ZINC000612524949 1072828682 /nfs/dbraw/zinc/82/86/82/1072828682.db2.gz YXRDPKOHSPCYFS-OLZOCXBDSA-N 1 1 386.460 -0.266 20 0 GBADMO C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)n1cnc2c1ncnc2N ZINC000612524951 1072828446 /nfs/dbraw/zinc/82/84/46/1072828446.db2.gz YXRDPKOHSPCYFS-QWHCGFSZSA-N 1 1 386.460 -0.266 20 0 GBADMO C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)n1cnc2c1ncnc2N ZINC000612524953 1072829056 /nfs/dbraw/zinc/82/90/56/1072829056.db2.gz YXRDPKOHSPCYFS-STQMWFEESA-N 1 1 386.460 -0.266 20 0 GBADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000612531698 1072830362 /nfs/dbraw/zinc/83/03/62/1072830362.db2.gz FSKVXTFPUFQONY-KZNAEPCWSA-N 1 1 395.887 -0.009 20 0 GBADMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)c1 ZINC000612532338 1072830005 /nfs/dbraw/zinc/83/00/05/1072830005.db2.gz MVPXGEKSZYGRPN-UHFFFAOYSA-N 1 1 391.453 -0.093 20 0 GBADMO Cn1cccc1C(=O)N1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000612534631 1072831811 /nfs/dbraw/zinc/83/18/11/1072831811.db2.gz ISDYHDZNIFEBPO-UHFFFAOYSA-N 1 1 390.488 -0.343 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000612534789 1072831109 /nfs/dbraw/zinc/83/11/09/1072831109.db2.gz BYLSJICKHOUZBO-UHFFFAOYSA-N 1 1 380.493 -0.307 20 0 GBADMO COCCNC(=O)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000612534860 1072832130 /nfs/dbraw/zinc/83/21/30/1072832130.db2.gz UNTYRACYUYOLPE-UHFFFAOYSA-N 1 1 383.493 -0.665 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000612535039 530362008 /nfs/dbraw/zinc/36/20/08/530362008.db2.gz IGFRFLTYGJZGID-UHFFFAOYSA-N 1 1 377.511 -0.832 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000612538906 1072831565 /nfs/dbraw/zinc/83/15/65/1072831565.db2.gz QLPKNSLTNYVVRP-UHFFFAOYSA-N 1 1 394.520 -0.900 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000612544030 1072831833 /nfs/dbraw/zinc/83/18/33/1072831833.db2.gz VIRCNHCGJYQFKH-CABCVRRESA-N 1 1 386.518 -0.387 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000612544032 1072831730 /nfs/dbraw/zinc/83/17/30/1072831730.db2.gz VIRCNHCGJYQFKH-GJZGRUSLSA-N 1 1 386.518 -0.387 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000612544034 1072831065 /nfs/dbraw/zinc/83/10/65/1072831065.db2.gz VIRCNHCGJYQFKH-HUUCEWRRSA-N 1 1 386.518 -0.387 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000612544036 1072831922 /nfs/dbraw/zinc/83/19/22/1072831922.db2.gz VIRCNHCGJYQFKH-LSDHHAIUSA-N 1 1 386.518 -0.387 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC000612544319 1072831594 /nfs/dbraw/zinc/83/15/94/1072831594.db2.gz ZCCSWLMDVAHBAL-AWEZNQCLSA-N 1 1 386.518 -0.387 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC000612544320 1072831237 /nfs/dbraw/zinc/83/12/37/1072831237.db2.gz ZCCSWLMDVAHBAL-CQSZACIVSA-N 1 1 386.518 -0.387 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1 ZINC000612544329 1072830966 /nfs/dbraw/zinc/83/09/66/1072830966.db2.gz ZFDNINKFVCXMIO-AWEZNQCLSA-N 1 1 394.476 -0.539 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1 ZINC000612544330 1072831498 /nfs/dbraw/zinc/83/14/98/1072831498.db2.gz ZFDNINKFVCXMIO-CQSZACIVSA-N 1 1 394.476 -0.539 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545559 1072835305 /nfs/dbraw/zinc/83/53/05/1072835305.db2.gz LGXSYSKEIYBFOT-DLBZAZTESA-N 1 1 393.532 -0.258 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545560 1072834563 /nfs/dbraw/zinc/83/45/63/1072834563.db2.gz LGXSYSKEIYBFOT-IAGOWNOFSA-N 1 1 393.532 -0.258 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545561 1072834976 /nfs/dbraw/zinc/83/49/76/1072834976.db2.gz LGXSYSKEIYBFOT-IRXDYDNUSA-N 1 1 393.532 -0.258 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000612545562 1072835461 /nfs/dbraw/zinc/83/54/61/1072835461.db2.gz LGXSYSKEIYBFOT-SJORKVTESA-N 1 1 393.532 -0.258 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000612545850 1072834369 /nfs/dbraw/zinc/83/43/69/1072834369.db2.gz NSYXHUDAHMQFKP-FZKQIMNGSA-N 1 1 379.461 -0.576 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000612545852 1072834531 /nfs/dbraw/zinc/83/45/31/1072834531.db2.gz NSYXHUDAHMQFKP-SCLBCKFNSA-N 1 1 379.461 -0.576 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000612545853 1072835259 /nfs/dbraw/zinc/83/52/59/1072835259.db2.gz NSYXHUDAHMQFKP-UGSOOPFHSA-N 1 1 379.461 -0.576 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000612546809 1072835693 /nfs/dbraw/zinc/83/56/93/1072835693.db2.gz VRYJPWZWBBPCCU-AWEZNQCLSA-N 1 1 376.461 -0.266 20 0 GBADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000612546810 1072835627 /nfs/dbraw/zinc/83/56/27/1072835627.db2.gz VRYJPWZWBBPCCU-CQSZACIVSA-N 1 1 376.461 -0.266 20 0 GBADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)C1 ZINC000612547272 1072834652 /nfs/dbraw/zinc/83/46/52/1072834652.db2.gz 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CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652472392 530180852 /nfs/dbraw/zinc/18/08/52/530180852.db2.gz LSTCVRHAVDPNJD-AWEZNQCLSA-N 1 1 376.523 -0.379 20 0 GBADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652472393 530180736 /nfs/dbraw/zinc/18/07/36/530180736.db2.gz LSTCVRHAVDPNJD-CQSZACIVSA-N 1 1 376.523 -0.379 20 0 GBADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CCOCCOC)CC1 ZINC000652476577 1073524332 /nfs/dbraw/zinc/52/43/32/1073524332.db2.gz FFRNKGYPRQIOMY-MSOLQXFVSA-N 1 1 396.532 -0.121 20 0 GBADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000652476727 530180765 /nfs/dbraw/zinc/18/07/65/530180765.db2.gz BMNAOWYXVLSHKS-AWEZNQCLSA-N 1 1 376.523 -0.379 20 0 GBADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000652476728 530180588 /nfs/dbraw/zinc/18/05/88/530180588.db2.gz BMNAOWYXVLSHKS-CQSZACIVSA-N 1 1 376.523 -0.379 20 0 GBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652477335 1073524649 /nfs/dbraw/zinc/52/46/49/1073524649.db2.gz SFADHQIXEACTGB-HNNXBMFYSA-N 1 1 392.504 -0.180 20 0 GBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652477335 1073524639 /nfs/dbraw/zinc/52/46/39/1073524639.db2.gz SFADHQIXEACTGB-HNNXBMFYSA-N 1 1 392.504 -0.180 20 0 GBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652477336 1073524970 /nfs/dbraw/zinc/52/49/70/1073524970.db2.gz SFADHQIXEACTGB-OAHLLOKOSA-N 1 1 392.504 -0.180 20 0 GBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652477336 1073524964 /nfs/dbraw/zinc/52/49/64/1073524964.db2.gz SFADHQIXEACTGB-OAHLLOKOSA-N 1 1 392.504 -0.180 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000652479579 1073524818 /nfs/dbraw/zinc/52/48/18/1073524818.db2.gz FOALVYYNTIGCNN-MSOLQXFVSA-N 1 1 396.532 -0.264 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000652479580 1073525039 /nfs/dbraw/zinc/52/50/39/1073525039.db2.gz FOALVYYNTIGCNN-QZTJIDSGSA-N 1 1 396.532 -0.264 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000652479581 1073524418 /nfs/dbraw/zinc/52/44/18/1073524418.db2.gz FOALVYYNTIGCNN-ROUUACIJSA-N 1 1 396.532 -0.264 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000652479582 1073524463 /nfs/dbraw/zinc/52/44/63/1073524463.db2.gz FOALVYYNTIGCNN-ZWKOTPCHSA-N 1 1 396.532 -0.264 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000652487167 1073526647 /nfs/dbraw/zinc/52/66/47/1073526647.db2.gz UTOCZZHJZQAZDT-KRWDZBQOSA-N 1 1 384.521 -0.265 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000652487168 1073527108 /nfs/dbraw/zinc/52/71/08/1073527108.db2.gz UTOCZZHJZQAZDT-QGZVFWFLSA-N 1 1 384.521 -0.265 20 0 GBADMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000652493588 530181254 /nfs/dbraw/zinc/18/12/54/530181254.db2.gz GIQIANFEONLLNR-UHFFFAOYSA-N 1 1 376.523 -0.426 20 0 GBADMO CCCN(C(=O)C(=O)N1CCN(CCOCCOC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000652494294 1073527145 /nfs/dbraw/zinc/52/71/45/1073527145.db2.gz BRZNYJZLKJNCRB-KRWDZBQOSA-N 1 1 384.521 -0.264 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@@H](C)CO1 ZINC000652519871 1073528357 /nfs/dbraw/zinc/52/83/57/1073528357.db2.gz ZPLZTDGGTDAZSD-ARFHVFGLSA-N 1 1 380.489 -0.223 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H](C)CO1 ZINC000652519872 1073528015 /nfs/dbraw/zinc/52/80/15/1073528015.db2.gz ZPLZTDGGTDAZSD-BZUAXINKSA-N 1 1 380.489 -0.223 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@H](C)CO1 ZINC000652519873 1073528044 /nfs/dbraw/zinc/52/80/44/1073528044.db2.gz ZPLZTDGGTDAZSD-OAGGEKHMSA-N 1 1 380.489 -0.223 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@@H](C)CO1 ZINC000652519874 1073527848 /nfs/dbraw/zinc/52/78/48/1073527848.db2.gz ZPLZTDGGTDAZSD-XHSDSOJGSA-N 1 1 380.489 -0.223 20 0 GBADMO CC1(C)CN(C(=O)C(=O)N2CCC(Cn3cnnc3)CC2)CC[N@H+]1CCO ZINC000652522542 1073529719 /nfs/dbraw/zinc/52/97/19/1073529719.db2.gz LNXCEXWMCDPJEC-UHFFFAOYSA-N 1 1 378.477 -0.568 20 0 GBADMO CC1(C)CN(C(=O)C(=O)N2CCC(Cn3cnnc3)CC2)CC[N@@H+]1CCO ZINC000652522542 1073529709 /nfs/dbraw/zinc/52/97/09/1073529709.db2.gz LNXCEXWMCDPJEC-UHFFFAOYSA-N 1 1 378.477 -0.568 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCC(Cn3cnnc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000652522828 1073530564 /nfs/dbraw/zinc/53/05/64/1073530564.db2.gz YNQLVRBJTHVTDB-GASCZTMLSA-N 1 1 378.477 -0.570 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCC(Cn3cnnc3)CC2)C[C@H](C)[N@H+]1CCO ZINC000652522828 1073530558 /nfs/dbraw/zinc/53/05/58/1073530558.db2.gz YNQLVRBJTHVTDB-GASCZTMLSA-N 1 1 378.477 -0.570 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@H](Cc2ccccc2)C1 ZINC000652527860 1073530509 /nfs/dbraw/zinc/53/05/09/1073530509.db2.gz CNHHEBOCJGHQLE-CVEARBPZSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@H](Cc2ccccc2)C1 ZINC000652527860 1073530503 /nfs/dbraw/zinc/53/05/03/1073530503.db2.gz CNHHEBOCJGHQLE-CVEARBPZSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527861 1073529898 /nfs/dbraw/zinc/52/98/98/1073529898.db2.gz CNHHEBOCJGHQLE-HOTGVXAUSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527861 1073529888 /nfs/dbraw/zinc/52/98/88/1073529888.db2.gz CNHHEBOCJGHQLE-HOTGVXAUSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@H](Cc2ccccc2)C1 ZINC000652527862 1073530059 /nfs/dbraw/zinc/53/00/59/1073530059.db2.gz CNHHEBOCJGHQLE-HZPDHXFCSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@H](Cc2ccccc2)C1 ZINC000652527862 1073530052 /nfs/dbraw/zinc/53/00/52/1073530052.db2.gz CNHHEBOCJGHQLE-HZPDHXFCSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527863 1073530126 /nfs/dbraw/zinc/53/01/26/1073530126.db2.gz CNHHEBOCJGHQLE-JKSUJKDBSA-N 1 1 394.497 -0.739 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527863 1073530118 /nfs/dbraw/zinc/53/01/18/1073530118.db2.gz CNHHEBOCJGHQLE-JKSUJKDBSA-N 1 1 394.497 -0.739 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@H](CO)O1 ZINC000652529055 1073530530 /nfs/dbraw/zinc/53/05/30/1073530530.db2.gz CUDHJQFKAGPADJ-BPQIPLTHSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@H](CO)O1 ZINC000652529055 1073530523 /nfs/dbraw/zinc/53/05/23/1073530523.db2.gz CUDHJQFKAGPADJ-BPQIPLTHSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@H](CO)O1 ZINC000652529056 1073530420 /nfs/dbraw/zinc/53/04/20/1073530420.db2.gz CUDHJQFKAGPADJ-KBAYOESNSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@H](CO)O1 ZINC000652529056 1073530409 /nfs/dbraw/zinc/53/04/09/1073530409.db2.gz CUDHJQFKAGPADJ-KBAYOESNSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@@H](CO)O1 ZINC000652529057 1073529801 /nfs/dbraw/zinc/52/98/01/1073529801.db2.gz CUDHJQFKAGPADJ-NJAFHUGGSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@@H](CO)O1 ZINC000652529057 1073529790 /nfs/dbraw/zinc/52/97/90/1073529790.db2.gz CUDHJQFKAGPADJ-NJAFHUGGSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@@H](CO)O1 ZINC000652529058 1073530250 /nfs/dbraw/zinc/53/02/50/1073530250.db2.gz CUDHJQFKAGPADJ-NXHRZFHOSA-N 1 1 375.469 -0.020 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@@H](CO)O1 ZINC000652529058 1073530238 /nfs/dbraw/zinc/53/02/38/1073530238.db2.gz CUDHJQFKAGPADJ-NXHRZFHOSA-N 1 1 375.469 -0.020 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652529547 1073530339 /nfs/dbraw/zinc/53/03/39/1073530339.db2.gz PZPLKQGURSFYKL-MOPGFXCFSA-N 1 1 386.496 -0.085 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652529547 1073530328 /nfs/dbraw/zinc/53/03/28/1073530328.db2.gz PZPLKQGURSFYKL-MOPGFXCFSA-N 1 1 386.496 -0.085 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529548 1073530033 /nfs/dbraw/zinc/53/00/33/1073530033.db2.gz PZPLKQGURSFYKL-OALUTQOASA-N 1 1 386.496 -0.085 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529548 1073530029 /nfs/dbraw/zinc/53/00/29/1073530029.db2.gz PZPLKQGURSFYKL-OALUTQOASA-N 1 1 386.496 -0.085 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529549 1073530478 /nfs/dbraw/zinc/53/04/78/1073530478.db2.gz PZPLKQGURSFYKL-RBUKOAKNSA-N 1 1 386.496 -0.085 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529549 1073530469 /nfs/dbraw/zinc/53/04/69/1073530469.db2.gz PZPLKQGURSFYKL-RBUKOAKNSA-N 1 1 386.496 -0.085 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)CC1 ZINC000652541823 1073532150 /nfs/dbraw/zinc/53/21/50/1073532150.db2.gz JGDCRADFFHETOC-INIZCTEOSA-N 1 1 393.488 -0.111 20 0 GBADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC1 ZINC000652541824 1073531998 /nfs/dbraw/zinc/53/19/98/1073531998.db2.gz JGDCRADFFHETOC-MRXNPFEDSA-N 1 1 393.488 -0.111 20 0 GBADMO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652543421 1073530991 /nfs/dbraw/zinc/53/09/91/1073530991.db2.gz PZNPFAJVCHVGKK-DOTOQJQBSA-N 1 1 391.472 -0.499 20 0 GBADMO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000652543422 1073530972 /nfs/dbraw/zinc/53/09/72/1073530972.db2.gz PZNPFAJVCHVGKK-NVXWUHKLSA-N 1 1 391.472 -0.499 20 0 GBADMO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652543423 1073531429 /nfs/dbraw/zinc/53/14/29/1073531429.db2.gz PZNPFAJVCHVGKK-RDJZCZTQSA-N 1 1 391.472 -0.499 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H](C)[N@@H+]1CCO ZINC000652543427 1073531154 /nfs/dbraw/zinc/53/11/54/1073531154.db2.gz QBYQCTXOXUVYHS-IJEWVQPXSA-N 1 1 379.461 -0.767 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H](C)[N@H+]1CCO ZINC000652543427 1073531143 /nfs/dbraw/zinc/53/11/43/1073531143.db2.gz QBYQCTXOXUVYHS-IJEWVQPXSA-N 1 1 379.461 -0.767 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C[C@H](C)[N@@H+]1CCO ZINC000652543428 1073531504 /nfs/dbraw/zinc/53/15/04/1073531504.db2.gz QBYQCTXOXUVYHS-LZWOXQAQSA-N 1 1 379.461 -0.767 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C[C@H](C)[N@H+]1CCO ZINC000652543428 1073531493 /nfs/dbraw/zinc/53/14/93/1073531493.db2.gz QBYQCTXOXUVYHS-LZWOXQAQSA-N 1 1 379.461 -0.767 20 0 GBADMO CN(CCCN(C)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)CC[NH+](C)C ZINC000652543594 1073532126 /nfs/dbraw/zinc/53/21/26/1073532126.db2.gz UEBDEBPTRVBUBO-KRWDZBQOSA-N 1 1 394.520 -0.338 20 0 GBADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652543594 1073532116 /nfs/dbraw/zinc/53/21/16/1073532116.db2.gz UEBDEBPTRVBUBO-KRWDZBQOSA-N 1 1 394.520 -0.338 20 0 GBADMO CN(CCCN(C)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)CC[NH+](C)C ZINC000652543595 1073532197 /nfs/dbraw/zinc/53/21/97/1073532197.db2.gz UEBDEBPTRVBUBO-QGZVFWFLSA-N 1 1 394.520 -0.338 20 0 GBADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652543595 1073532188 /nfs/dbraw/zinc/53/21/88/1073532188.db2.gz UEBDEBPTRVBUBO-QGZVFWFLSA-N 1 1 394.520 -0.338 20 0 GBADMO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000652543620 1073532224 /nfs/dbraw/zinc/53/22/24/1073532224.db2.gz UMBISXQVOLYQNP-HNNXBMFYSA-N 1 1 379.461 -0.765 20 0 GBADMO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000652543620 1073532216 /nfs/dbraw/zinc/53/22/16/1073532216.db2.gz UMBISXQVOLYQNP-HNNXBMFYSA-N 1 1 379.461 -0.765 20 0 GBADMO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000652543621 1073532398 /nfs/dbraw/zinc/53/23/98/1073532398.db2.gz UMBISXQVOLYQNP-OAHLLOKOSA-N 1 1 379.461 -0.765 20 0 GBADMO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000652543621 1073532388 /nfs/dbraw/zinc/53/23/88/1073532388.db2.gz UMBISXQVOLYQNP-OAHLLOKOSA-N 1 1 379.461 -0.765 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC[N@H+]1CC(C)(C)O ZINC000652543690 1073532301 /nfs/dbraw/zinc/53/23/01/1073532301.db2.gz WJCCLDHIGYWEBB-GDBMZVCRSA-N 1 1 393.488 -0.376 20 0 GBADMO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC[N@@H+]1CC(C)(C)O ZINC000652543690 1073532287 /nfs/dbraw/zinc/53/22/87/1073532287.db2.gz WJCCLDHIGYWEBB-GDBMZVCRSA-N 1 1 393.488 -0.376 20 0 GBADMO C[C@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC[N@H+]1CC(C)(C)O ZINC000652543691 1073532270 /nfs/dbraw/zinc/53/22/70/1073532270.db2.gz WJCCLDHIGYWEBB-GOEBONIOSA-N 1 1 393.488 -0.376 20 0 GBADMO 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/nfs/dbraw/zinc/15/77/73/1072157773.db2.gz SMFUSBBPXXEOQO-SJLPKXTDSA-N 1 1 399.495 -0.096 20 0 GBADMO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000652728958 1072393333 /nfs/dbraw/zinc/39/33/33/1072393333.db2.gz JHDKUXDXKNAIGL-IAGOWNOFSA-N 1 1 382.505 -0.621 20 0 GBADMO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652729755 1072483648 /nfs/dbraw/zinc/48/36/48/1072483648.db2.gz TXLDEDMQHIXKLO-BRWVUGGUSA-N 1 1 382.505 -0.621 20 0 GBADMO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652730165 1072613747 /nfs/dbraw/zinc/61/37/47/1072613747.db2.gz KGMJEDUYSLLTGY-BFYDXBDKSA-N 1 1 382.505 -0.480 20 0 GBADMO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000652731723 1072717570 /nfs/dbraw/zinc/71/75/70/1072717570.db2.gz SNHOESUYGYKFNW-KRWDZBQOSA-N 1 1 396.532 -0.216 20 0 GBADMO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652731751 1072718115 /nfs/dbraw/zinc/71/81/15/1072718115.db2.gz TXLDEDMQHIXKLO-GVDBMIGSSA-N 1 1 382.505 -0.621 20 0 GBADMO C[C@H](CO)C1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000652732604 1072744711 /nfs/dbraw/zinc/74/47/11/1072744711.db2.gz OVRYRXYBMIWFCU-GDBMZVCRSA-N 1 1 380.489 -0.724 20 0 GBADMO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@@H](CC)CO1 ZINC000652733200 1072764321 /nfs/dbraw/zinc/76/43/21/1072764321.db2.gz BADADLUUZUPGTO-ARFHVFGLSA-N 1 1 380.489 -0.175 20 0 GBADMO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735322 1072811222 /nfs/dbraw/zinc/81/12/22/1072811222.db2.gz HEOQIRZEGXWVMS-CYBMUJFWSA-N 1 1 386.456 -0.086 20 0 GBADMO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735323 1072811471 /nfs/dbraw/zinc/81/14/71/1072811471.db2.gz HEOQIRZEGXWVMS-ZDUSSCGKSA-N 1 1 386.456 -0.086 20 0 GBADMO C[NH+](C)CCN1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1=O ZINC000652735717 1072817904 /nfs/dbraw/zinc/81/79/04/1072817904.db2.gz RGNJSVXIYPTTGE-UHFFFAOYSA-N 1 1 386.456 -0.085 20 0 GBADMO CNS(=O)(=O)NCC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652812856 1073196043 /nfs/dbraw/zinc/19/60/43/1073196043.db2.gz UCCHTYZIYIWYOQ-CVEARBPZSA-N 1 1 382.486 -0.458 20 0 GBADMO CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652812859 1073196071 /nfs/dbraw/zinc/19/60/71/1073196071.db2.gz UCCHTYZIYIWYOQ-JKSUJKDBSA-N 1 1 382.486 -0.458 20 0 GBADMO CC(=O)N[C@@H](CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)C(N)=O ZINC000652813497 1073198596 /nfs/dbraw/zinc/19/85/96/1073198596.db2.gz DTWBIXQKODCUMS-OKZBNKHCSA-N 1 1 388.468 -0.132 20 0 GBADMO CC(=O)NCC(=O)NCC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652814319 1073198192 /nfs/dbraw/zinc/19/81/92/1073198192.db2.gz WFZZDSMUVAXAFA-QZTJIDSGSA-N 1 1 388.468 -0.259 20 0 GBADMO CCN1C[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O ZINC000652836752 1073201297 /nfs/dbraw/zinc/20/12/97/1073201297.db2.gz BCXYWJJMBQMVFZ-CVEARBPZSA-N 1 1 380.489 -0.316 20 0 GBADMO CCN1C[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O ZINC000652836753 1073201364 /nfs/dbraw/zinc/20/13/64/1073201364.db2.gz BCXYWJJMBQMVFZ-HOTGVXAUSA-N 1 1 380.489 -0.316 20 0 GBADMO CCN1C[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC000652836754 1073201349 /nfs/dbraw/zinc/20/13/49/1073201349.db2.gz BCXYWJJMBQMVFZ-HZPDHXFCSA-N 1 1 380.489 -0.316 20 0 GBADMO CCN1C[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O ZINC000652836755 1073201151 /nfs/dbraw/zinc/20/11/51/1073201151.db2.gz BCXYWJJMBQMVFZ-JKSUJKDBSA-N 1 1 380.489 -0.316 20 0 GBADMO COc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1S(=O)(=O)N(C)C ZINC000652886360 1073479826 /nfs/dbraw/zinc/47/98/26/1073479826.db2.gz GHCUDVKGZHOQBM-CQSZACIVSA-N 1 1 383.470 -0.164 20 0 GBADMO COc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1S(=O)(=O)N(C)C ZINC000652886360 1073479821 /nfs/dbraw/zinc/47/98/21/1073479821.db2.gz GHCUDVKGZHOQBM-CQSZACIVSA-N 1 1 383.470 -0.164 20 0 GBADMO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652886612 1073479934 /nfs/dbraw/zinc/47/99/34/1073479934.db2.gz QJYHZTYEIQPLRH-GFCCVEGCSA-N 1 1 389.424 -0.089 20 0 GBADMO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652886612 1073479929 /nfs/dbraw/zinc/47/99/29/1073479929.db2.gz QJYHZTYEIQPLRH-GFCCVEGCSA-N 1 1 389.424 -0.089 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652886661 1073479957 /nfs/dbraw/zinc/47/99/57/1073479957.db2.gz SNLNRJQWBRULAH-MRXNPFEDSA-N 1 1 395.481 -0.165 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652886661 1073479953 /nfs/dbraw/zinc/47/99/53/1073479953.db2.gz SNLNRJQWBRULAH-MRXNPFEDSA-N 1 1 395.481 -0.165 20 0 GBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652886730 1073479773 /nfs/dbraw/zinc/47/97/73/1073479773.db2.gz WKCWQVNLJOAICB-GXTWGEPZSA-N 1 1 383.470 -0.361 20 0 GBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000652886730 1073479770 /nfs/dbraw/zinc/47/97/70/1073479770.db2.gz WKCWQVNLJOAICB-GXTWGEPZSA-N 1 1 383.470 -0.361 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000652888068 1073480841 /nfs/dbraw/zinc/48/08/41/1073480841.db2.gz YAXDTMRSHFSBHL-OAHLLOKOSA-N 1 1 383.470 -0.498 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000652888068 1073480836 /nfs/dbraw/zinc/48/08/36/1073480836.db2.gz YAXDTMRSHFSBHL-OAHLLOKOSA-N 1 1 383.470 -0.498 20 0 GBADMO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888522 530298207 /nfs/dbraw/zinc/29/82/07/530298207.db2.gz LFMGGTZQNRDJPJ-SNVBAGLBSA-N 1 1 379.891 -0.043 20 0 GBADMO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888522 530298205 /nfs/dbraw/zinc/29/82/05/530298205.db2.gz LFMGGTZQNRDJPJ-SNVBAGLBSA-N 1 1 379.891 -0.043 20 0 GBADMO CCc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000652891003 1073483299 /nfs/dbraw/zinc/48/32/99/1073483299.db2.gz XSTJXNBECFCOMA-GFCCVEGCSA-N 1 1 387.440 -0.914 20 0 GBADMO CCc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000652891003 1073483294 /nfs/dbraw/zinc/48/32/94/1073483294.db2.gz XSTJXNBECFCOMA-GFCCVEGCSA-N 1 1 387.440 -0.914 20 0 GBADMO NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652891355 1073483009 /nfs/dbraw/zinc/48/30/09/1073483009.db2.gz KQUDZZDNJOJVLH-SJORKVTESA-N 1 1 394.516 -0.016 20 0 GBADMO NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652891355 1073483000 /nfs/dbraw/zinc/48/30/00/1073483000.db2.gz KQUDZZDNJOJVLH-SJORKVTESA-N 1 1 394.516 -0.016 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)CC1=O ZINC000652902732 1073532580 /nfs/dbraw/zinc/53/25/80/1073532580.db2.gz YCNFVCRFQIHWDU-CVEARBPZSA-N 1 1 389.504 -0.218 20 0 GBADMO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)CC1=O ZINC000652902732 1073532570 /nfs/dbraw/zinc/53/25/70/1073532570.db2.gz YCNFVCRFQIHWDU-CVEARBPZSA-N 1 1 389.504 -0.218 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(Cc3nc[nH]n3)CC2)CC1=O ZINC000652902732 1073532559 /nfs/dbraw/zinc/53/25/59/1073532559.db2.gz YCNFVCRFQIHWDU-CVEARBPZSA-N 1 1 389.504 -0.218 20 0 GBADMO COCC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(C)(C)C1 ZINC000652926144 1073767707 /nfs/dbraw/zinc/76/77/07/1073767707.db2.gz MTSBHEUHBOTKKO-KRWDZBQOSA-N 1 1 396.532 -0.264 20 0 GBADMO COCC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(C)(C)C1 ZINC000652926145 1073767973 /nfs/dbraw/zinc/76/79/73/1073767973.db2.gz MTSBHEUHBOTKKO-QGZVFWFLSA-N 1 1 396.532 -0.264 20 0 GBADMO COCC[N@H+]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C(C)(C)C1 ZINC000652926383 530317771 /nfs/dbraw/zinc/31/77/71/530317771.db2.gz YEYYSEINWMKFNQ-UHFFFAOYSA-N 1 1 379.523 -0.100 20 0 GBADMO CNS(=O)(=O)N1CCC(C(=O)N2CC[N@@H+](CCOC)CC2(C)C)CC1 ZINC000652926554 530317705 /nfs/dbraw/zinc/31/77/05/530317705.db2.gz CYBDHQOQNFLAGI-UHFFFAOYSA-N 1 1 376.523 -0.268 20 0 GBADMO COCC[N@H+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C(C)(C)C1 ZINC000652926561 530317583 /nfs/dbraw/zinc/31/75/83/530317583.db2.gz DOCCSLRPMXNOFF-UHFFFAOYSA-N 1 1 376.523 -0.867 20 0 GBADMO O=C(c1nscc1Br)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164873 530101888 /nfs/dbraw/zinc/10/18/88/530101888.db2.gz PRVTWJVIJOERIG-UHFFFAOYSA-N 1 1 395.304 -0.035 20 0 GBADMO O=C(c1cccc2c1OCCCO2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164914 1072283528 /nfs/dbraw/zinc/28/35/28/1072283528.db2.gz ULXWTSUSMOWNIR-UHFFFAOYSA-N 1 1 381.454 -0.093 20 0 GBADMO O=C(c1cccc(-n2cc[nH]c2=O)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164947 1072283931 /nfs/dbraw/zinc/28/39/31/1072283931.db2.gz WHNOAQGSPBXJLR-UHFFFAOYSA-N 1 1 391.453 -0.363 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)C1 ZINC000653356920 1072636588 /nfs/dbraw/zinc/63/65/88/1072636588.db2.gz BOUFCWKAUWRXCD-ARFHVFGLSA-N 1 1 383.489 -0.136 20 0 GBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(Cn3cnnc3)CC2)C1 ZINC000653357245 1072640414 /nfs/dbraw/zinc/64/04/14/1072640414.db2.gz LRQNNSMDNYLJFS-KRWDZBQOSA-N 1 1 392.504 -0.010 20 0 GBADMO CCN1C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000653360471 1072696707 /nfs/dbraw/zinc/69/67/07/1072696707.db2.gz OLYJQKHLLIPNJF-ZNMIVQPWSA-N 1 1 382.505 -0.025 20 0 GBADMO CCN1C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000653360471 1072696703 /nfs/dbraw/zinc/69/67/03/1072696703.db2.gz OLYJQKHLLIPNJF-ZNMIVQPWSA-N 1 1 382.505 -0.025 20 0 GBADMO CC(C)[C@H](CNC(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)[NH+]1CCN(C)CC1 ZINC000653362132 1072734395 /nfs/dbraw/zinc/73/43/95/1072734395.db2.gz DOBSKEQZTHALKO-GVDBMIGSSA-N 1 1 396.532 -0.221 20 0 GBADMO CCN1C[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1=O ZINC000653362329 1072735218 /nfs/dbraw/zinc/73/52/18/1072735218.db2.gz KYWVSRKHNIVBIN-CVEARBPZSA-N 1 1 381.521 -0.641 20 0 GBADMO CCn1cc(CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C(C)C)cn1 ZINC000653368487 1072905873 /nfs/dbraw/zinc/90/58/73/1072905873.db2.gz XNRYAUMIKHXTGN-UHFFFAOYSA-N 1 1 392.504 -0.080 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000653369236 1072909547 /nfs/dbraw/zinc/90/95/47/1072909547.db2.gz NUJBCUXMGXTCLC-KRWDZBQOSA-N 1 1 384.521 -0.358 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H](C)CO)CC2)CC1 ZINC000653372653 1072916720 /nfs/dbraw/zinc/91/67/20/1072916720.db2.gz QACZRBWEKLKFFV-HNNXBMFYSA-N 1 1 396.532 -0.040 20 0 GBADMO COCCOCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000653374184 1072917616 /nfs/dbraw/zinc/91/76/16/1072917616.db2.gz AWHLLBLQYIUMET-MRXNPFEDSA-N 1 1 382.505 -0.606 20 0 GBADMO C[C@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)CN1CC[NH+](C)CC1 ZINC000653377340 1072951761 /nfs/dbraw/zinc/95/17/61/1072951761.db2.gz WOMDFJPANUGPGZ-NVXWUHKLSA-N 1 1 392.504 -0.680 20 0 GBADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C)C[NH+]1CCOCC1 ZINC000653386028 1072972528 /nfs/dbraw/zinc/97/25/28/1072972528.db2.gz NBVQXXDUXXWOLQ-ZBFHGGJFSA-N 1 1 390.484 -0.037 20 0 GBADMO C[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)C[NH+]1CCOCC1 ZINC000653386428 1072972026 /nfs/dbraw/zinc/97/20/26/1072972026.db2.gz ZLWACGGBXQLIDN-HOCLYGCPSA-N 1 1 379.461 -0.596 20 0 GBADMO C[C@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)C[NH+]1CCOCC1 ZINC000653386429 1072971877 /nfs/dbraw/zinc/97/18/77/1072971877.db2.gz ZLWACGGBXQLIDN-ZBFHGGJFSA-N 1 1 379.461 -0.596 20 0 GBADMO C[C@@H](CO)C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000653386633 1072974322 /nfs/dbraw/zinc/97/43/22/1072974322.db2.gz FWRDCNILPLVHNK-HOCLYGCPSA-N 1 1 382.505 -0.443 20 0 GBADMO C[C@@H](CO)C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000653388921 1072978340 /nfs/dbraw/zinc/97/83/40/1072978340.db2.gz PDWBNUZVXHDQOK-DOTOQJQBSA-N 1 1 396.532 -0.088 20 0 GBADMO C[C@H](CO)C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000653388922 1072978262 /nfs/dbraw/zinc/97/82/62/1072978262.db2.gz PDWBNUZVXHDQOK-NVXWUHKLSA-N 1 1 396.532 -0.088 20 0 GBADMO CCN1C[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000653389019 1072976874 /nfs/dbraw/zinc/97/68/74/1072976874.db2.gz RKERWBGVDVLAHP-CABCVRRESA-N 1 1 395.504 -0.970 20 0 GBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000653389047 1072976588 /nfs/dbraw/zinc/97/65/88/1072976588.db2.gz SFJMYJPNVRQXIN-INIZCTEOSA-N 1 1 378.477 -0.256 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)C1 ZINC000653392468 1072983761 /nfs/dbraw/zinc/98/37/61/1072983761.db2.gz BGYNJDZXMHEJTJ-CQSZACIVSA-N 1 1 376.461 -0.590 20 0 GBADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)n1C ZINC000653395258 1072991616 /nfs/dbraw/zinc/99/16/16/1072991616.db2.gz WWKLJGROFOLEMF-AWEZNQCLSA-N 1 1 386.456 -0.005 20 0 GBADMO CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](Cc2ccccc2)C1 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AWPLDICILPRXBM-HOTGVXAUSA-N 1 1 379.505 -0.600 20 0 GBADMO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656290643 1072491121 /nfs/dbraw/zinc/49/11/21/1072491121.db2.gz AWPLDICILPRXBM-HZPDHXFCSA-N 1 1 379.505 -0.600 20 0 GBADMO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656290644 1072491319 /nfs/dbraw/zinc/49/13/19/1072491319.db2.gz AWPLDICILPRXBM-JKSUJKDBSA-N 1 1 379.505 -0.600 20 0 GBADMO Cc1cnc(CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000656291058 1072490929 /nfs/dbraw/zinc/49/09/29/1072490929.db2.gz FTNUCUZDLLBGFC-UHFFFAOYSA-N 1 1 375.473 -0.363 20 0 GBADMO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656291738 1072492020 /nfs/dbraw/zinc/49/20/20/1072492020.db2.gz MFOUVPZGJIOGQE-ZWKOTPCHSA-N 1 1 387.484 -0.560 20 0 GBADMO COc1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(OC)c1OC ZINC000656292591 1072494212 /nfs/dbraw/zinc/49/42/12/1072494212.db2.gz SPCBRZGRPJHRIC-UONOGXRCSA-N 1 1 393.440 -0.394 20 0 GBADMO COc1c(C)cccc1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000656292592 1072493824 /nfs/dbraw/zinc/49/38/24/1072493824.db2.gz SRYHZODBKTVHPF-UHFFFAOYSA-N 1 1 376.457 -0.100 20 0 GBADMO COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656292767 1072494149 /nfs/dbraw/zinc/49/41/49/1072494149.db2.gz WSBPSJBWRCZIIN-JKSUJKDBSA-N 1 1 390.440 -0.835 20 0 GBADMO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000656292885 1072494273 /nfs/dbraw/zinc/49/42/73/1072494273.db2.gz HAHATZNGITXLJW-DLBZAZTESA-N 1 1 390.484 -0.479 20 0 GBADMO Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cn2)n1 ZINC000656293521 1072494448 /nfs/dbraw/zinc/49/44/48/1072494448.db2.gz ZHLSAXMDYLZVHE-DLBZAZTESA-N 1 1 398.467 -0.222 20 0 GBADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656293622 1072494465 /nfs/dbraw/zinc/49/44/65/1072494465.db2.gz LGZCWWBURCTPPP-UHFFFAOYSA-N 1 1 380.497 -0.814 20 0 GBADMO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656294196 1072494325 /nfs/dbraw/zinc/49/43/25/1072494325.db2.gz RDGJCUSANRKTBM-YESZJQIVSA-N 1 1 397.564 -0.258 20 0 GBADMO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656294197 1072494356 /nfs/dbraw/zinc/49/43/56/1072494356.db2.gz RDGJCUSANRKTBM-ZACQAIPSSA-N 1 1 397.564 -0.258 20 0 GBADMO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000656294229 1072494369 /nfs/dbraw/zinc/49/43/69/1072494369.db2.gz SCHQNWBKIFLOML-DLBZAZTESA-N 1 1 390.484 -0.479 20 0 GBADMO O=C(NCc1ccc(N2CCCCC2)nc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656294533 1072494422 /nfs/dbraw/zinc/49/44/22/1072494422.db2.gz UERBDCLFMYREIK-DLBZAZTESA-N 1 1 387.484 -0.035 20 0 GBADMO CN1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)ccn2)CC1 ZINC000656294540 1072494185 /nfs/dbraw/zinc/49/41/85/1072494185.db2.gz UNFMOUDAXHCRNK-CALCHBBNSA-N 1 1 388.516 -0.094 20 0 GBADMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000656294900 1072495222 /nfs/dbraw/zinc/49/52/22/1072495222.db2.gz YDBRCTLJOQQQLC-JKSUJKDBSA-N 1 1 375.473 -0.179 20 0 GBADMO CN(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295194 1072493187 /nfs/dbraw/zinc/49/31/87/1072493187.db2.gz GIHJCHPGUKZAAP-BBWFWOEESA-N 1 1 378.448 -0.178 20 0 GBADMO CN(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295194 1072493184 /nfs/dbraw/zinc/49/31/84/1072493184.db2.gz GIHJCHPGUKZAAP-BBWFWOEESA-N 1 1 378.448 -0.178 20 0 GBADMO CN(C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295195 1072493100 /nfs/dbraw/zinc/49/31/00/1072493100.db2.gz GIHJCHPGUKZAAP-GVDBMIGSSA-N 1 1 378.448 -0.178 20 0 GBADMO CN(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295195 1072493098 /nfs/dbraw/zinc/49/30/98/1072493098.db2.gz GIHJCHPGUKZAAP-GVDBMIGSSA-N 1 1 378.448 -0.178 20 0 GBADMO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000656295329 1072495277 /nfs/dbraw/zinc/49/52/77/1072495277.db2.gz IGLDLJFFISMPGG-AWEZNQCLSA-N 1 1 391.501 -0.056 20 0 GBADMO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000656295332 1072495182 /nfs/dbraw/zinc/49/51/82/1072495182.db2.gz IGLDLJFFISMPGG-CQSZACIVSA-N 1 1 391.501 -0.056 20 0 GBADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656295408 1072496264 /nfs/dbraw/zinc/49/62/64/1072496264.db2.gz JABWQHOXOXIGQZ-DLBZAZTESA-N 1 1 388.468 -0.280 20 0 GBADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656295520 1072495471 /nfs/dbraw/zinc/49/54/71/1072495471.db2.gz JYZYRNPXEJGXTQ-RBUKOAKNSA-N 1 1 386.496 -0.172 20 0 GBADMO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656295520 1072495460 /nfs/dbraw/zinc/49/54/60/1072495460.db2.gz JYZYRNPXEJGXTQ-RBUKOAKNSA-N 1 1 386.496 -0.172 20 0 GBADMO COc1cccc(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1OC ZINC000656295732 1072495147 /nfs/dbraw/zinc/49/51/47/1072495147.db2.gz CNYYDDBVHOEWOH-LSDHHAIUSA-N 1 1 377.441 -0.360 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000656295957 1072495194 /nfs/dbraw/zinc/49/51/94/1072495194.db2.gz DPCWYVBTBIYKRI-DOTOQJQBSA-N 1 1 380.489 -0.223 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000656295958 1072495159 /nfs/dbraw/zinc/49/51/59/1072495159.db2.gz DPCWYVBTBIYKRI-NVXWUHKLSA-N 1 1 380.489 -0.223 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000656295959 1072495386 /nfs/dbraw/zinc/49/53/86/1072495386.db2.gz DPCWYVBTBIYKRI-RDJZCZTQSA-N 1 1 380.489 -0.223 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000656295960 1072494952 /nfs/dbraw/zinc/49/49/52/1072494952.db2.gz DPCWYVBTBIYKRI-WBVHZDCISA-N 1 1 380.489 -0.223 20 0 GBADMO Cn1cnnc1N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000656296121 1072493912 /nfs/dbraw/zinc/49/39/12/1072493912.db2.gz QLCJVPDPRXNCGK-UHFFFAOYSA-N 1 1 397.483 -0.362 20 0 GBADMO Cn1cnnc1N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000656296121 1072493903 /nfs/dbraw/zinc/49/39/03/1072493903.db2.gz QLCJVPDPRXNCGK-UHFFFAOYSA-N 1 1 397.483 -0.362 20 0 GBADMO COCCOc1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000656296158 1072493842 /nfs/dbraw/zinc/49/38/42/1072493842.db2.gz GGBXNBVVTKQSFM-LSDHHAIUSA-N 1 1 378.429 -1.000 20 0 GBADMO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296208 1072494307 /nfs/dbraw/zinc/49/43/07/1072494307.db2.gz HCSKEQQDRMWVNG-CVEARBPZSA-N 1 1 379.505 -0.554 20 0 GBADMO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296209 1072493955 /nfs/dbraw/zinc/49/39/55/1072493955.db2.gz HCSKEQQDRMWVNG-HOTGVXAUSA-N 1 1 379.505 -0.554 20 0 GBADMO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296210 1072493786 /nfs/dbraw/zinc/49/37/86/1072493786.db2.gz HCSKEQQDRMWVNG-HZPDHXFCSA-N 1 1 379.505 -0.554 20 0 GBADMO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296211 1072494297 /nfs/dbraw/zinc/49/42/97/1072494297.db2.gz HCSKEQQDRMWVNG-JKSUJKDBSA-N 1 1 379.505 -0.554 20 0 GBADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656296263 1072496022 /nfs/dbraw/zinc/49/60/22/1072496022.db2.gz RIUPXACPCWEQEZ-IYBDPMFKSA-N 1 1 391.520 -0.052 20 0 GBADMO COCCOc1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000656296343 1072495106 /nfs/dbraw/zinc/49/51/06/1072495106.db2.gz HXWWFCJPYARMQN-JKSUJKDBSA-N 1 1 377.441 -0.395 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C)c2OC)CC1 ZINC000656296381 1072495062 /nfs/dbraw/zinc/49/50/62/1072495062.db2.gz JCCFKCVYKOSPKI-UHFFFAOYSA-N 1 1 376.457 -0.054 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2ncc(C)cc2C)CC1 ZINC000656296781 1072495074 /nfs/dbraw/zinc/49/50/74/1072495074.db2.gz ODOFWHDDZMZSMM-UHFFFAOYSA-N 1 1 375.473 -0.316 20 0 GBADMO COCCOc1ncccc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296790 1072495246 /nfs/dbraw/zinc/49/52/46/1072495246.db2.gz OGXAGWLNZZTLFH-LSDHHAIUSA-N 1 1 378.429 -1.000 20 0 GBADMO COCCOc1cccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656296950 1072495042 /nfs/dbraw/zinc/49/50/42/1072495042.db2.gz PLPPNZHFJJLKBS-JKSUJKDBSA-N 1 1 377.441 -0.395 20 0 GBADMO C[C@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656297072 1072496080 /nfs/dbraw/zinc/49/60/80/1072496080.db2.gz SEKLLRUGLLEKNV-KURKYZTESA-N 1 1 397.564 -0.256 20 0 GBADMO C[C@@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656297073 1072496125 /nfs/dbraw/zinc/49/61/25/1072496125.db2.gz SEKLLRUGLLEKNV-OKZBNKHCSA-N 1 1 397.564 -0.256 20 0 GBADMO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656297156 1072496193 /nfs/dbraw/zinc/49/61/93/1072496193.db2.gz UVYREVABRWWWAD-DLBZAZTESA-N 1 1 394.516 -0.193 20 0 GBADMO 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C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000659644476 1073062808 /nfs/dbraw/zinc/06/28/08/1073062808.db2.gz MPMBFHVWOCIULT-HZPDHXFCSA-N 1 1 394.497 -0.391 20 0 GBADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000659644477 1073062382 /nfs/dbraw/zinc/06/23/82/1073062382.db2.gz MPMBFHVWOCIULT-JKSUJKDBSA-N 1 1 394.497 -0.391 20 0 GBADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000659651054 1073063722 /nfs/dbraw/zinc/06/37/22/1073063722.db2.gz AROLMGNDFFYDTM-CVEARBPZSA-N 1 1 379.505 -0.648 20 0 GBADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000659651055 1073063564 /nfs/dbraw/zinc/06/35/64/1073063564.db2.gz AROLMGNDFFYDTM-HOTGVXAUSA-N 1 1 379.505 -0.648 20 0 GBADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659651056 1073063346 /nfs/dbraw/zinc/06/33/46/1073063346.db2.gz AROLMGNDFFYDTM-HZPDHXFCSA-N 1 1 379.505 -0.648 20 0 GBADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659651057 1073063758 /nfs/dbraw/zinc/06/37/58/1073063758.db2.gz AROLMGNDFFYDTM-JKSUJKDBSA-N 1 1 379.505 -0.648 20 0 GBADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000659651364 1073063704 /nfs/dbraw/zinc/06/37/04/1073063704.db2.gz DXQUBWMCSLGYGJ-PMRDEQMMSA-N 1 1 391.516 -0.507 20 0 GBADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000659651365 1073063800 /nfs/dbraw/zinc/06/38/00/1073063800.db2.gz DXQUBWMCSLGYGJ-VPSFDDGASA-N 1 1 391.516 -0.507 20 0 GBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000659654223 1073065976 /nfs/dbraw/zinc/06/59/76/1073065976.db2.gz OSYUZSSCHOKSMJ-BBWFWOEESA-N 1 1 393.532 -0.260 20 0 GBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659654225 1073065617 /nfs/dbraw/zinc/06/56/17/1073065617.db2.gz OSYUZSSCHOKSMJ-IXDOHACOSA-N 1 1 393.532 -0.260 20 0 GBADMO 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ZINC000662222901 1073549153 /nfs/dbraw/zinc/54/91/53/1073549153.db2.gz HJLZLMAZIDCHNK-XJFOESAGSA-N 1 1 394.476 -0.738 20 0 GBADMO CNS(=O)(=O)CCCN1CC[N@@H+](CCCS(=O)(=O)NC)[C@@H](C)[C@@H]1C ZINC000662226846 530156241 /nfs/dbraw/zinc/15/62/41/530156241.db2.gz VTMZLTRLCHAKMB-KBPBESRZSA-N 1 1 384.568 -0.740 20 0 GBADMO CNS(=O)(=O)CCCN1CC[N@@H+](CCCS(=O)(=O)NC)[C@@H](C)[C@H]1C ZINC000662226847 530156184 /nfs/dbraw/zinc/15/61/84/530156184.db2.gz VTMZLTRLCHAKMB-OKILXGFUSA-N 1 1 384.568 -0.740 20 0 GBADMO CNS(=O)(=O)CCCN1CC[N@H+](CCCS(=O)(=O)NC)[C@@H](C)[C@H]1C ZINC000662226847 530156183 /nfs/dbraw/zinc/15/61/83/530156183.db2.gz VTMZLTRLCHAKMB-OKILXGFUSA-N 1 1 384.568 -0.740 20 0 GBADMO CNS(=O)(=O)CCCN1CC[N@@H+](CCCS(=O)(=O)NC)[C@H](C)[C@@H]1C ZINC000662226847 530156181 /nfs/dbraw/zinc/15/61/81/530156181.db2.gz VTMZLTRLCHAKMB-OKILXGFUSA-N 1 1 384.568 -0.740 20 0 GBADMO CNS(=O)(=O)CCCN1CC[N@@H+](CCCS(=O)(=O)NC)[C@H](C)[C@H]1C ZINC000662226848 530156270 /nfs/dbraw/zinc/15/62/70/530156270.db2.gz VTMZLTRLCHAKMB-ZIAGYGMSSA-N 1 1 384.568 -0.740 20 0 GBADMO C[C@@H]1[C@H](C)N(CCC(=O)N2CCOCC2)CC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000662227351 1073551125 /nfs/dbraw/zinc/55/11/25/1073551125.db2.gz ZRIFSYRPWUNZNZ-HDICACEKSA-N 1 1 396.532 -0.121 20 0 GBADMO C[C@@H]1[C@H](C)N(CCC(=O)N2CCOCC2)CC[N@H+]1CCC(=O)N1CCOCC1 ZINC000662227351 1073551120 /nfs/dbraw/zinc/55/11/20/1073551120.db2.gz ZRIFSYRPWUNZNZ-HDICACEKSA-N 1 1 396.532 -0.121 20 0 GBADMO C[C@@H]1[C@H](C)[N@@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000662227351 1073551116 /nfs/dbraw/zinc/55/11/16/1073551116.db2.gz ZRIFSYRPWUNZNZ-HDICACEKSA-N 1 1 396.532 -0.121 20 0 GBADMO C[C@@H]1[C@@H](C)[N@@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000662227352 1073550584 /nfs/dbraw/zinc/55/05/84/1073550584.db2.gz ZRIFSYRPWUNZNZ-QZTJIDSGSA-N 1 1 396.532 -0.121 20 0 GBADMO C[C@H]1[C@H](C)[N@@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000662227353 1073551189 /nfs/dbraw/zinc/55/11/89/1073551189.db2.gz ZRIFSYRPWUNZNZ-ROUUACIJSA-N 1 1 396.532 -0.121 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662248654 1073553105 /nfs/dbraw/zinc/55/31/05/1073553105.db2.gz ITJTXWYSFVJYBE-HNNXBMFYSA-N 1 1 382.486 -0.027 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662248655 1073552529 /nfs/dbraw/zinc/55/25/29/1073552529.db2.gz ITJTXWYSFVJYBE-OAHLLOKOSA-N 1 1 382.486 -0.027 20 0 GBADMO Cc1ccc(CN2CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662287625 1073557624 /nfs/dbraw/zinc/55/76/24/1073557624.db2.gz FNLBKOBQURFLPE-IBGZPJMESA-N 1 1 378.517 -0.357 20 0 GBADMO Cc1ccc(CN2CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662287626 1073557448 /nfs/dbraw/zinc/55/74/48/1073557448.db2.gz FNLBKOBQURFLPE-LJQANCHMSA-N 1 1 378.517 -0.357 20 0 GBADMO [NH3+]CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C[C@H](O)CO ZINC000662287671 1073557169 /nfs/dbraw/zinc/55/71/69/1073557169.db2.gz GOEOEWPQLQRTQY-KRWDZBQOSA-N 1 1 382.530 -0.212 20 0 GBADMO [NH3+]CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C[C@@H](O)CO ZINC000662287672 1073557592 /nfs/dbraw/zinc/55/75/92/1073557592.db2.gz GOEOEWPQLQRTQY-QGZVFWFLSA-N 1 1 382.530 -0.212 20 0 GBADMO COc1ccc(CN2CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662289206 1073556668 /nfs/dbraw/zinc/55/66/68/1073556668.db2.gz XZQHRKMSXDBPFB-GOSISDBHSA-N 1 1 394.516 -0.657 20 0 GBADMO COc1ccc(CN2CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662289207 1073556745 /nfs/dbraw/zinc/55/67/45/1073556745.db2.gz XZQHRKMSXDBPFB-SFHVURJKSA-N 1 1 394.516 -0.657 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)CN2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662292122 1073558927 /nfs/dbraw/zinc/55/89/27/1073558927.db2.gz MWDMDHUPCWMACL-GOSISDBHSA-N 1 1 379.549 -0.070 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)CN2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662292123 1073558381 /nfs/dbraw/zinc/55/83/81/1073558381.db2.gz MWDMDHUPCWMACL-SFHVURJKSA-N 1 1 379.549 -0.070 20 0 GBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296043 1073558026 /nfs/dbraw/zinc/55/80/26/1073558026.db2.gz XMGQHKLDERUVFU-GXTWGEPZSA-N 1 1 377.489 -0.051 20 0 GBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296044 1073558416 /nfs/dbraw/zinc/55/84/16/1073558416.db2.gz XMGQHKLDERUVFU-JSGCOSHPSA-N 1 1 377.489 -0.051 20 0 GBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296045 1073558483 /nfs/dbraw/zinc/55/84/83/1073558483.db2.gz XMGQHKLDERUVFU-OCCSQVGLSA-N 1 1 377.489 -0.051 20 0 GBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296046 1073558811 /nfs/dbraw/zinc/55/88/11/1073558811.db2.gz XMGQHKLDERUVFU-TZMCWYRMSA-N 1 1 377.489 -0.051 20 0 GBADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCc3c(cccc3C(N)=O)C1)c(=O)n2C ZINC000662298672 1073558083 /nfs/dbraw/zinc/55/80/83/1073558083.db2.gz FBXPZOSQFAKKJX-UHFFFAOYSA-N 1 1 396.451 -0.019 20 0 GBADMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCc3c(cccc3C(N)=O)C1)c(=O)n2C ZINC000662298672 1073558067 /nfs/dbraw/zinc/55/80/67/1073558067.db2.gz FBXPZOSQFAKKJX-UHFFFAOYSA-N 1 1 396.451 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O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000662401870 1073562890 /nfs/dbraw/zinc/56/28/90/1073562890.db2.gz RTTVFEITZUHLPN-JKSUJKDBSA-N 1 1 389.504 -0.123 20 0 GBADMO [NH3+][C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662457729 1073567827 /nfs/dbraw/zinc/56/78/27/1073567827.db2.gz QXINOAKSLWFRCB-HNNXBMFYSA-N 1 1 396.394 -0.506 20 0 GBADMO [NH3+][C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662457737 1073567489 /nfs/dbraw/zinc/56/74/89/1073567489.db2.gz QXINOAKSLWFRCB-OAHLLOKOSA-N 1 1 396.394 -0.506 20 0 GBADMO O=C(c1coc(-c2cccnc2)n1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662576788 1073576342 /nfs/dbraw/zinc/57/63/42/1073576342.db2.gz AMFUBJSYPNFMGO-UHFFFAOYSA-N 1 1 377.426 -0.204 20 0 GBADMO Cn1ncc(C(F)(F)F)c1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577492 530156197 /nfs/dbraw/zinc/15/61/97/530156197.db2.gz JMTQFFQQLQKSNZ-UHFFFAOYSA-N 1 1 381.380 -0.502 20 0 GBADMO O=C([C@H]1CC(=O)N[C@H]2CCCC[C@@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577832 1073575242 /nfs/dbraw/zinc/57/52/42/1073575242.db2.gz MZHJCYJMANEFIF-ILXRZTDVSA-N 1 1 384.502 -0.873 20 0 GBADMO O=C([C@H]1CC(=O)N[C@H]2CCCC[C@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577833 1073576273 /nfs/dbraw/zinc/57/62/73/1073576273.db2.gz MZHJCYJMANEFIF-KKUMJFAQSA-N 1 1 384.502 -0.873 20 0 GBADMO O=C([C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577834 1073575351 /nfs/dbraw/zinc/57/53/51/1073575351.db2.gz MZHJCYJMANEFIF-QLFBSQMISA-N 1 1 384.502 -0.873 20 0 GBADMO O=C([C@H]1CC(=O)N[C@@H]2CCCC[C@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577835 1073575806 /nfs/dbraw/zinc/57/58/06/1073575806.db2.gz MZHJCYJMANEFIF-SOUVJXGZSA-N 1 1 384.502 -0.873 20 0 GBADMO CC(C)[C@H](NCC(F)(F)F)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578065 530156344 /nfs/dbraw/zinc/15/63/44/530156344.db2.gz PWPFAVPLFROPCD-LBPRGKRZSA-N 1 1 386.440 -0.391 20 0 GBADMO O=C(C[C@@H](n1cccn1)C(F)(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578173 1073575298 /nfs/dbraw/zinc/57/52/98/1073575298.db2.gz QLYFSKPOUICTBU-GFCCVEGCSA-N 1 1 395.407 -0.178 20 0 GBADMO O=C(C[C@H](n1cccn1)C(F)(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578175 1073576320 /nfs/dbraw/zinc/57/63/20/1073576320.db2.gz QLYFSKPOUICTBU-LBPRGKRZSA-N 1 1 395.407 -0.178 20 0 GBADMO CCn1c2ccc(C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)cc2[nH]c1=O ZINC000662578272 1073575854 /nfs/dbraw/zinc/57/58/54/1073575854.db2.gz SKAXIIHLNVMYBS-UHFFFAOYSA-N 1 1 393.469 -0.179 20 0 GBADMO O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578498 1073576296 /nfs/dbraw/zinc/57/62/96/1073576296.db2.gz TUHMJWXMTZDMRO-IAGOWNOFSA-N 1 1 395.481 -0.411 20 0 GBADMO O=C(c1cc(-n2ccnn2)ccc1F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578526 1073575544 /nfs/dbraw/zinc/57/55/44/1073575544.db2.gz UFYGWNVNVGIENX-UHFFFAOYSA-N 1 1 394.432 -0.534 20 0 GBADMO COc1cccc([C@H](OC)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000662578919 1073577314 /nfs/dbraw/zinc/57/73/14/1073577314.db2.gz YEHQSUPCLRNGSZ-INIZCTEOSA-N 1 1 383.470 -0.172 20 0 GBADMO COc1cccc([C@@H](OC)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000662579053 1073575713 /nfs/dbraw/zinc/57/57/13/1073575713.db2.gz YEHQSUPCLRNGSZ-MRXNPFEDSA-N 1 1 383.470 -0.172 20 0 GBADMO O=C(c1cccc(Cn2ccnn2)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662579106 1073576923 /nfs/dbraw/zinc/57/69/23/1073576923.db2.gz ZQMUUBXSMDZZSB-UHFFFAOYSA-N 1 1 390.469 -0.614 20 0 GBADMO [NH3+][C@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662665699 1073581151 /nfs/dbraw/zinc/58/11/51/1073581151.db2.gz KDRPIDOWYGOIRY-KRWDZBQOSA-N 1 1 382.411 -0.032 20 0 GBADMO [NH3+][C@@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662665700 1073580654 /nfs/dbraw/zinc/58/06/54/1073580654.db2.gz KDRPIDOWYGOIRY-QGZVFWFLSA-N 1 1 382.411 -0.032 20 0 GBADMO [NH3+][C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662672151 1073581815 /nfs/dbraw/zinc/58/18/15/1073581815.db2.gz WVXKKCJYMNZLBY-KRWDZBQOSA-N 1 1 382.411 -0.032 20 0 GBADMO [NH3+][C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662672152 1073581763 /nfs/dbraw/zinc/58/17/63/1073581763.db2.gz WVXKKCJYMNZLBY-QGZVFWFLSA-N 1 1 382.411 -0.032 20 0 GBADMO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662689141 530156902 /nfs/dbraw/zinc/15/69/02/530156902.db2.gz RDKGHANKUPPUFU-AWEZNQCLSA-N 1 1 376.429 -0.342 20 0 GBADMO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662689148 530156851 /nfs/dbraw/zinc/15/68/51/530156851.db2.gz RDKGHANKUPPUFU-CQSZACIVSA-N 1 1 376.429 -0.342 20 0 GBADMO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662767357 1073423089 /nfs/dbraw/zinc/42/30/89/1073423089.db2.gz UPJCEHZVVKHGEJ-CZUORRHYSA-N 1 1 386.518 -0.484 20 0 GBADMO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662767358 1073423402 /nfs/dbraw/zinc/42/34/02/1073423402.db2.gz UPJCEHZVVKHGEJ-XJKSGUPXSA-N 1 1 386.518 -0.484 20 0 GBADMO NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)C1 ZINC000662772704 1073424517 /nfs/dbraw/zinc/42/45/17/1073424517.db2.gz OZMGDLBFCVJTEP-LLVKDONJSA-N 1 1 379.446 -0.216 20 0 GBADMO NS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)C1 ZINC000662772705 1073424702 /nfs/dbraw/zinc/42/47/02/1073424702.db2.gz OZMGDLBFCVJTEP-NSHDSACASA-N 1 1 379.446 -0.216 20 0 GBADMO [NH3+][C@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(F)cc1F ZINC000662788245 1073428178 /nfs/dbraw/zinc/42/81/78/1073428178.db2.gz LIWVVHYVCRHLJL-KRWDZBQOSA-N 1 1 394.378 -0.216 20 0 GBADMO [NH3+][C@@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(F)cc1F ZINC000662788246 1073427886 /nfs/dbraw/zinc/42/78/86/1073427886.db2.gz LIWVVHYVCRHLJL-QGZVFWFLSA-N 1 1 394.378 -0.216 20 0 GBADMO O=C(c1ccccc1Cn1ccnn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662814213 1073430625 /nfs/dbraw/zinc/43/06/25/1073430625.db2.gz ANSJIADTCFBCBC-UHFFFAOYSA-N 1 1 390.469 -0.614 20 0 GBADMO O=C(c1ccnn1C1CCOCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662814558 1073430412 /nfs/dbraw/zinc/43/04/12/1073430412.db2.gz CUUNLJQZXXINGX-UHFFFAOYSA-N 1 1 383.474 -0.706 20 0 GBADMO Cn1cc(Br)c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000662814686 530157021 /nfs/dbraw/zinc/15/70/21/530157021.db2.gz GCQPDVYXWOJICE-UHFFFAOYSA-N 1 1 392.279 -0.758 20 0 GBADMO O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1(C(F)(F)F)CCOCC1 ZINC000662815610 530156862 /nfs/dbraw/zinc/15/68/62/530156862.db2.gz KKSPSDWBGADFPK-UHFFFAOYSA-N 1 1 385.408 -0.209 20 0 GBADMO O=C([C@@H]1COC[C@H]1c1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662815627 1073430693 /nfs/dbraw/zinc/43/06/93/1073430693.db2.gz KVHSMUGOADVVOO-DLBZAZTESA-N 1 1 379.482 -0.138 20 0 GBADMO O=C([C@@H]1COC[C@@H]1c1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662815628 1073430361 /nfs/dbraw/zinc/43/03/61/1073430361.db2.gz KVHSMUGOADVVOO-IAGOWNOFSA-N 1 1 379.482 -0.138 20 0 GBADMO O=C([C@H]1COC[C@H]1c1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662815629 1073430314 /nfs/dbraw/zinc/43/03/14/1073430314.db2.gz KVHSMUGOADVVOO-IRXDYDNUSA-N 1 1 379.482 -0.138 20 0 GBADMO O=C([C@H]1COC[C@@H]1c1ccccc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662815630 1073430169 /nfs/dbraw/zinc/43/01/69/1073430169.db2.gz KVHSMUGOADVVOO-SJORKVTESA-N 1 1 379.482 -0.138 20 0 GBADMO Cn1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c(-c2ccco2)n1 ZINC000662816179 1073431590 /nfs/dbraw/zinc/43/15/90/1073431590.db2.gz NIKLBVRXIBVOPG-UHFFFAOYSA-N 1 1 379.442 -0.261 20 0 GBADMO Cn1cc(-c2ncccc2C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000662817666 1073431551 /nfs/dbraw/zinc/43/15/51/1073431551.db2.gz VDNQCBJNJCCAJW-UHFFFAOYSA-N 1 1 390.469 -0.459 20 0 GBADMO COCCn1c(N)c(C(=O)C[NH2+][C@](C)(CO)c2ccccc2)c(=O)[nH]c1=O ZINC000662840346 1073436714 /nfs/dbraw/zinc/43/67/14/1073436714.db2.gz WQBXXAURVZMKMI-GOSISDBHSA-N 1 1 376.413 -0.143 20 0 GBADMO COCCn1c(N)c(C(=O)C[NH2+][C@@](C)(CO)c2ccccc2)c(=O)[nH]c1=O ZINC000662840347 1073436727 /nfs/dbraw/zinc/43/67/27/1073436727.db2.gz WQBXXAURVZMKMI-SFHVURJKSA-N 1 1 376.413 -0.143 20 0 GBADMO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662930462 1073473728 /nfs/dbraw/zinc/47/37/28/1073473728.db2.gz QKOSIOQQIVKMPM-MWDXBVQZSA-N 1 1 383.512 -0.099 20 0 GBADMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662930464 1073473395 /nfs/dbraw/zinc/47/33/95/1073473395.db2.gz QKOSIOQQIVKMPM-QBPKDAKJSA-N 1 1 383.512 -0.099 20 0 GBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662930467 1073473770 /nfs/dbraw/zinc/47/37/70/1073473770.db2.gz QKOSIOQQIVKMPM-YYIAUSFCSA-N 1 1 383.512 -0.099 20 0 GBADMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662930467 1073473766 /nfs/dbraw/zinc/47/37/66/1073473766.db2.gz QKOSIOQQIVKMPM-YYIAUSFCSA-N 1 1 383.512 -0.099 20 0 GBADMO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)CC1 ZINC000662941412 1073476692 /nfs/dbraw/zinc/47/66/92/1073476692.db2.gz PFZPNDRCFDLNLC-HZPDHXFCSA-N 1 1 383.512 -0.240 20 0 GBADMO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)CC1 ZINC000662943214 1073479372 /nfs/dbraw/zinc/47/93/72/1073479372.db2.gz QVIJULVGQZRNTL-IAGOWNOFSA-N 1 1 383.512 -0.099 20 0 GBADMO O=C(C(=O)N1CCC[C@H](CCF)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662947211 1073480206 /nfs/dbraw/zinc/48/02/06/1073480206.db2.gz KGHDENZYJFUUCU-CYBMUJFWSA-N 1 1 390.481 -0.970 20 0 GBADMO O=C(C(=O)N1CCC[C@@H](CCF)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662947212 1073480194 /nfs/dbraw/zinc/48/01/94/1073480194.db2.gz KGHDENZYJFUUCU-ZDUSSCGKSA-N 1 1 390.481 -0.970 20 0 GBADMO O=C(C(=O)N1CCC[C@H](C2CCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662947215 1073480168 /nfs/dbraw/zinc/48/01/68/1073480168.db2.gz KJGTYZGSKHLORI-HNNXBMFYSA-N 1 1 398.529 -0.529 20 0 GBADMO O=C(C(=O)N1CCC[C@@H](C2CCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662947216 1073480348 /nfs/dbraw/zinc/48/03/48/1073480348.db2.gz KJGTYZGSKHLORI-OAHLLOKOSA-N 1 1 398.529 -0.529 20 0 GBADMO O=C(C(=O)N1CCC(C2CCC2)CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662947838 1073480394 /nfs/dbraw/zinc/48/03/94/1073480394.db2.gz WUUWELICWXUDMH-UHFFFAOYSA-N 1 1 398.529 -0.529 20 0 GBADMO O=C(C(=O)N1CCC[C@@](O)(C2CC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662949383 1073482411 /nfs/dbraw/zinc/48/24/11/1073482411.db2.gz UINXASKUEAFEDT-BEFAXECRSA-N 1 1 378.473 -0.827 20 0 GBADMO O=C(C(=O)N1CCC[C@](O)(C2CC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662949384 1073482079 /nfs/dbraw/zinc/48/20/79/1073482079.db2.gz UINXASKUEAFEDT-DNVCBOLYSA-N 1 1 378.473 -0.827 20 0 GBADMO O=C(C(=O)N1CCC[C@](O)(C2CC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662949385 1073482646 /nfs/dbraw/zinc/48/26/46/1073482646.db2.gz UINXASKUEAFEDT-HNAYVOBHSA-N 1 1 378.473 -0.827 20 0 GBADMO O=C(C(=O)N1CCC[C@@](O)(C2CC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662949386 1073482598 /nfs/dbraw/zinc/48/25/98/1073482598.db2.gz UINXASKUEAFEDT-KXBFYZLASA-N 1 1 378.473 -0.827 20 0 GBADMO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000662949441 1073482477 /nfs/dbraw/zinc/48/24/77/1073482477.db2.gz VRIFVNHEQXMNJI-CVEARBPZSA-N 1 1 388.472 -0.231 20 0 GBADMO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000662949442 1073482573 /nfs/dbraw/zinc/48/25/73/1073482573.db2.gz VRIFVNHEQXMNJI-HOTGVXAUSA-N 1 1 388.472 -0.231 20 0 GBADMO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000662949443 1073482150 /nfs/dbraw/zinc/48/21/50/1073482150.db2.gz VRIFVNHEQXMNJI-HZPDHXFCSA-N 1 1 388.472 -0.231 20 0 GBADMO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000662949444 1073482092 /nfs/dbraw/zinc/48/20/92/1073482092.db2.gz VRIFVNHEQXMNJI-JKSUJKDBSA-N 1 1 388.472 -0.231 20 0 GBADMO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C(F)(F)F ZINC000662970069 1073488408 /nfs/dbraw/zinc/48/84/08/1073488408.db2.gz MMVXZVFDKNLYGE-WRWGMCAJSA-N 1 1 397.419 -0.227 20 0 GBADMO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@@H]1CCO ZINC000662971079 1073488502 /nfs/dbraw/zinc/48/85/02/1073488502.db2.gz BSZMQUPDWKTMLU-BZUAXINKSA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@H]1CCO ZINC000662971080 1073488547 /nfs/dbraw/zinc/48/85/47/1073488547.db2.gz BSZMQUPDWKTMLU-OAGGEKHMSA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[C@@H]1CCO ZINC000662971081 1073488254 /nfs/dbraw/zinc/48/82/54/1073488254.db2.gz BSZMQUPDWKTMLU-OWCLPIDISA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[C@H]1CCO ZINC000662971082 1073488610 /nfs/dbraw/zinc/48/86/10/1073488610.db2.gz BSZMQUPDWKTMLU-PMPSAXMXSA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662971186 1073488476 /nfs/dbraw/zinc/48/84/76/1073488476.db2.gz CLVQXGHEMFJGMT-BZUAXINKSA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662971187 1073488283 /nfs/dbraw/zinc/48/82/83/1073488283.db2.gz CLVQXGHEMFJGMT-OAGGEKHMSA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662971188 1073488533 /nfs/dbraw/zinc/48/85/33/1073488533.db2.gz CLVQXGHEMFJGMT-OWCLPIDISA-N 1 1 380.489 -0.581 20 0 GBADMO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662971190 1073488627 /nfs/dbraw/zinc/48/86/27/1073488627.db2.gz CLVQXGHEMFJGMT-PMPSAXMXSA-N 1 1 380.489 -0.581 20 0 GBADMO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662990237 1073492394 /nfs/dbraw/zinc/49/23/94/1073492394.db2.gz QWSHJQLEDYMETL-HZPDHXFCSA-N 1 1 388.484 -0.530 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CC[C@H]4COC[C@@H]4C3)C2=O)c1 ZINC000663219117 1073544921 /nfs/dbraw/zinc/54/49/21/1073544921.db2.gz ALFMXIMOQWXIEU-HUBLWGQQSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H]4COC[C@@H]4C3)C2=O)c1 ZINC000663219117 1073544909 /nfs/dbraw/zinc/54/49/09/1073544909.db2.gz ALFMXIMOQWXIEU-HUBLWGQQSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H]4COC[C@H]4C3)C2=O)c1 ZINC000663219118 1073545106 /nfs/dbraw/zinc/54/51/06/1073545106.db2.gz ALFMXIMOQWXIEU-JMSVASOKSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H]4COC[C@H]4C3)C2=O)c1 ZINC000663219118 1073545102 /nfs/dbraw/zinc/54/51/02/1073545102.db2.gz ALFMXIMOQWXIEU-JMSVASOKSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H]4COC[C@@H]4C3)C2=O)c1 ZINC000663219119 1073545445 /nfs/dbraw/zinc/54/54/45/1073545445.db2.gz ALFMXIMOQWXIEU-XUJVJEKNSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H]4COC[C@@H]4C3)C2=O)c1 ZINC000663219119 1073545436 /nfs/dbraw/zinc/54/54/36/1073545436.db2.gz ALFMXIMOQWXIEU-XUJVJEKNSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CC[C@H]4COC[C@H]4C3)C2=O)c1 ZINC000663219120 1073544797 /nfs/dbraw/zinc/54/47/97/1073544797.db2.gz ALFMXIMOQWXIEU-ZOWXZIJZSA-N 1 1 379.438 -0.066 20 0 GBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H]4COC[C@H]4C3)C2=O)c1 ZINC000663219120 1073544787 /nfs/dbraw/zinc/54/47/87/1073544787.db2.gz ALFMXIMOQWXIEU-ZOWXZIJZSA-N 1 1 379.438 -0.066 20 0 GBADMO CC1(C)CN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000663301045 1073554880 /nfs/dbraw/zinc/55/48/80/1073554880.db2.gz FHUCJAGNGHZZMC-UHFFFAOYSA-N 1 1 398.485 -0.088 20 0 GBADMO CC1(C)CN(C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000663301045 1073554869 /nfs/dbraw/zinc/55/48/69/1073554869.db2.gz FHUCJAGNGHZZMC-UHFFFAOYSA-N 1 1 398.485 -0.088 20 0 GBADMO CC1(C)CN(C(=O)C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)CC[N@H+]1CCO ZINC000663301602 1073554814 /nfs/dbraw/zinc/55/48/14/1073554814.db2.gz YAWARTGCCUJQCZ-INIZCTEOSA-N 1 1 390.440 -0.235 20 0 GBADMO CC1(C)CN(C(=O)C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)CC[N@@H+]1CCO ZINC000663301602 1073554802 /nfs/dbraw/zinc/55/48/02/1073554802.db2.gz YAWARTGCCUJQCZ-INIZCTEOSA-N 1 1 390.440 -0.235 20 0 GBADMO CC1(C)CN(C(=O)C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)CC[N@H+]1CCO ZINC000663301604 1073555655 /nfs/dbraw/zinc/55/56/55/1073555655.db2.gz YAWARTGCCUJQCZ-MRXNPFEDSA-N 1 1 390.440 -0.235 20 0 GBADMO CC1(C)CN(C(=O)C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)CC[N@@H+]1CCO ZINC000663301604 1073555644 /nfs/dbraw/zinc/55/56/44/1073555644.db2.gz YAWARTGCCUJQCZ-MRXNPFEDSA-N 1 1 390.440 -0.235 20 0 GBADMO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305519 1073556339 /nfs/dbraw/zinc/55/63/39/1073556339.db2.gz ZWABRCALOSQGHL-AAEUAGOBSA-N 1 1 379.461 -0.920 20 0 GBADMO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305522 1073556508 /nfs/dbraw/zinc/55/65/08/1073556508.db2.gz ZWABRCALOSQGHL-DGCLKSJQSA-N 1 1 379.461 -0.920 20 0 GBADMO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305524 1073556296 /nfs/dbraw/zinc/55/62/96/1073556296.db2.gz ZWABRCALOSQGHL-WCQYABFASA-N 1 1 379.461 -0.920 20 0 GBADMO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305526 1073556364 /nfs/dbraw/zinc/55/63/64/1073556364.db2.gz ZWABRCALOSQGHL-YPMHNXCESA-N 1 1 379.461 -0.920 20 0 GBADMO COCCn1c(N)c(C(=O)C[NH2+][C@]2(CO)CCc3ccccc32)c(=O)[nH]c1=O ZINC000663355844 1073569141 /nfs/dbraw/zinc/56/91/41/1073569141.db2.gz RWEQAQPIMBKDTC-IBGZPJMESA-N 1 1 388.424 -0.216 20 0 GBADMO COCCn1c(N)c(C(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)c(=O)[nH]c1=O ZINC000663355845 1073568629 /nfs/dbraw/zinc/56/86/29/1073568629.db2.gz RWEQAQPIMBKDTC-LJQANCHMSA-N 1 1 388.424 -0.216 20 0 GBADMO CN1CCN(C[C@@H](O)C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663364510 1073570020 /nfs/dbraw/zinc/57/00/20/1073570020.db2.gz ITVBLXPXNWCRRO-LEWJYISDSA-N 1 1 392.544 -0.552 20 0 GBADMO 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/nfs/dbraw/zinc/16/11/51/530161151.db2.gz CBKBMVDNWVEQSI-AWEZNQCLSA-N 1 1 377.511 -0.865 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000663478988 530160807 /nfs/dbraw/zinc/16/08/07/530160807.db2.gz CBKBMVDNWVEQSI-CQSZACIVSA-N 1 1 377.511 -0.865 20 0 GBADMO Cc1c(N2CCN(CCCO)CC2)ncnc1N1CC[NH+](CCCO)CC1 ZINC000663485235 1073596575 /nfs/dbraw/zinc/59/65/75/1073596575.db2.gz OCWRUNZSKBWUEA-UHFFFAOYSA-N 1 1 378.521 -0.206 20 0 GBADMO COc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc(NS(C)(=O)=O)c1OC ZINC000663488778 1073598613 /nfs/dbraw/zinc/59/86/13/1073598613.db2.gz YJUOAPKZGGAGKB-UHFFFAOYSA-N 1 1 385.442 -0.110 20 0 GBADMO Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)c1F ZINC000663539575 1073609892 /nfs/dbraw/zinc/60/98/92/1073609892.db2.gz PRKLWBSSSOSPBP-CABCVRRESA-N 1 1 396.511 -0.070 20 0 GBADMO Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)c1F ZINC000663539576 1073609732 /nfs/dbraw/zinc/60/97/32/1073609732.db2.gz PRKLWBSSSOSPBP-GJZGRUSLSA-N 1 1 396.511 -0.070 20 0 GBADMO Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)c1F ZINC000663539578 1073609974 /nfs/dbraw/zinc/60/99/74/1073609974.db2.gz PRKLWBSSSOSPBP-HUUCEWRRSA-N 1 1 396.511 -0.070 20 0 GBADMO Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)c1F ZINC000663539580 1073609714 /nfs/dbraw/zinc/60/97/14/1073609714.db2.gz PRKLWBSSSOSPBP-LSDHHAIUSA-N 1 1 396.511 -0.070 20 0 GBADMO Cc1c(N2CCN(C[C@H](C)O)CC2)ncnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000663540149 1073608580 /nfs/dbraw/zinc/60/85/80/1073608580.db2.gz RYAOWAXUGYSQCL-HOTGVXAUSA-N 1 1 378.521 -0.209 20 0 GBADMO Cc1c(N2CCN(C[C@@H](C)O)CC2)ncnc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000663540153 1073608621 /nfs/dbraw/zinc/60/86/21/1073608621.db2.gz RYAOWAXUGYSQCL-HZPDHXFCSA-N 1 1 378.521 -0.209 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000663540981 1073609846 /nfs/dbraw/zinc/60/98/46/1073609846.db2.gz YCMGZLPSTPEBHG-KBPBESRZSA-N 1 1 391.538 -0.334 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000663540983 1073609815 /nfs/dbraw/zinc/60/98/15/1073609815.db2.gz YCMGZLPSTPEBHG-OKILXGFUSA-N 1 1 391.538 -0.334 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000663540983 1073609810 /nfs/dbraw/zinc/60/98/10/1073609810.db2.gz YCMGZLPSTPEBHG-OKILXGFUSA-N 1 1 391.538 -0.334 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000663540985 1073609631 /nfs/dbraw/zinc/60/96/31/1073609631.db2.gz YCMGZLPSTPEBHG-ZIAGYGMSSA-N 1 1 391.538 -0.334 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000663553343 530161506 /nfs/dbraw/zinc/16/15/06/530161506.db2.gz KSZYIWZMYLFNQZ-AWEZNQCLSA-N 1 1 377.511 -0.865 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000663553344 530161772 /nfs/dbraw/zinc/16/17/72/530161772.db2.gz KSZYIWZMYLFNQZ-CQSZACIVSA-N 1 1 377.511 -0.865 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000663554683 530161847 /nfs/dbraw/zinc/16/18/47/530161847.db2.gz VAAMJNUGIZBGSH-OKILXGFUSA-N 1 1 377.511 -0.723 20 0 GBADMO C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CCN1S(C)(=O)=O ZINC000663557961 530161949 /nfs/dbraw/zinc/16/19/49/530161949.db2.gz DUXDNBRWHGNOTQ-CQSZACIVSA-N 1 1 375.539 -0.312 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000663559852 1073612923 /nfs/dbraw/zinc/61/29/23/1073612923.db2.gz HSXGOHRBVUEYIA-HNNXBMFYSA-N 1 1 390.554 -0.950 20 0 GBADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000663559855 1073612877 /nfs/dbraw/zinc/61/28/77/1073612877.db2.gz HSXGOHRBVUEYIA-OAHLLOKOSA-N 1 1 390.554 -0.950 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000663560234 1073612695 /nfs/dbraw/zinc/61/26/95/1073612695.db2.gz JXWWDGJASMTWHS-CVEARBPZSA-N 1 1 389.566 -0.066 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000663560236 1073612738 /nfs/dbraw/zinc/61/27/38/1073612738.db2.gz JXWWDGJASMTWHS-HZPDHXFCSA-N 1 1 389.566 -0.066 20 0 GBADMO CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC1=O ZINC000663563787 1073613862 /nfs/dbraw/zinc/61/38/62/1073613862.db2.gz ITVJJPBYXIUKCE-UHFFFAOYSA-N 1 1 375.477 -0.138 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN2C(=O)N=NC2C1 ZINC000663565167 1073613580 /nfs/dbraw/zinc/61/35/80/1073613580.db2.gz ROPDBSIPROKSFH-UHFFFAOYSA-N 1 1 387.448 -0.489 20 0 GBADMO C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CCN1S(C)(=O)=O ZINC000663578561 530161920 /nfs/dbraw/zinc/16/19/20/530161920.db2.gz FXDLXDWHGSGODV-CQSZACIVSA-N 1 1 375.539 -0.312 20 0 GBADMO CC[NH+]1CCN(C(=O)CC2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000663579268 1073617459 /nfs/dbraw/zinc/61/74/59/1073617459.db2.gz CRTGGQZUKHTTIJ-UHFFFAOYSA-N 1 1 377.489 -0.145 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000663618170 1073625649 /nfs/dbraw/zinc/62/56/49/1073625649.db2.gz 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C[C@H](NC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341345 1072584015 /nfs/dbraw/zinc/58/40/15/1072584015.db2.gz UIMYGBFTRKOLAZ-XJKSGUPXSA-N 1 1 390.488 -0.229 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341345 1072584003 /nfs/dbraw/zinc/58/40/03/1072584003.db2.gz UIMYGBFTRKOLAZ-XJKSGUPXSA-N 1 1 390.488 -0.229 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)on1 ZINC000685341361 1072584346 /nfs/dbraw/zinc/58/43/46/1072584346.db2.gz UTQNWPBLXMGIRO-GDBMZVCRSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)on1 ZINC000685341361 1072584342 /nfs/dbraw/zinc/58/43/42/1072584342.db2.gz UTQNWPBLXMGIRO-GDBMZVCRSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)on1 ZINC000685341362 1072584534 /nfs/dbraw/zinc/58/45/34/1072584534.db2.gz UTQNWPBLXMGIRO-GOEBONIOSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)on1 ZINC000685341362 1072584525 /nfs/dbraw/zinc/58/45/25/1072584525.db2.gz UTQNWPBLXMGIRO-GOEBONIOSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)on1 ZINC000685341363 1072584410 /nfs/dbraw/zinc/58/44/10/1072584410.db2.gz UTQNWPBLXMGIRO-HOCLYGCPSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)on1 ZINC000685341363 1072584401 /nfs/dbraw/zinc/58/44/01/1072584401.db2.gz UTQNWPBLXMGIRO-HOCLYGCPSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)on1 ZINC000685341364 1072584276 /nfs/dbraw/zinc/58/42/76/1072584276.db2.gz UTQNWPBLXMGIRO-ZBFHGGJFSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)on1 ZINC000685341364 1072584270 /nfs/dbraw/zinc/58/42/70/1072584270.db2.gz UTQNWPBLXMGIRO-ZBFHGGJFSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685341377 1072584560 /nfs/dbraw/zinc/58/45/60/1072584560.db2.gz UWWMMQRATDBRFP-DZGCQCFKSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685341377 1072584551 /nfs/dbraw/zinc/58/45/51/1072584551.db2.gz UWWMMQRATDBRFP-DZGCQCFKSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685341378 1072584507 /nfs/dbraw/zinc/58/45/07/1072584507.db2.gz UWWMMQRATDBRFP-HIFRSBDPSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685341378 1072584499 /nfs/dbraw/zinc/58/44/99/1072584499.db2.gz UWWMMQRATDBRFP-HIFRSBDPSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685341379 1072584681 /nfs/dbraw/zinc/58/46/81/1072584681.db2.gz UWWMMQRATDBRFP-UKRRQHHQSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685341379 1072584672 /nfs/dbraw/zinc/58/46/72/1072584672.db2.gz UWWMMQRATDBRFP-UKRRQHHQSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685341380 1072583827 /nfs/dbraw/zinc/58/38/27/1072583827.db2.gz UWWMMQRATDBRFP-ZFWWWQNUSA-N 1 1 376.461 -0.731 20 0 GBADMO Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685341380 1072583821 /nfs/dbraw/zinc/58/38/21/1072583821.db2.gz UWWMMQRATDBRFP-ZFWWWQNUSA-N 1 1 376.461 -0.731 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341545 1072583967 /nfs/dbraw/zinc/58/39/67/1072583967.db2.gz OCFYPFBLKULCRL-DZGCQCFKSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341545 1072583961 /nfs/dbraw/zinc/58/39/61/1072583961.db2.gz OCFYPFBLKULCRL-DZGCQCFKSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341568 1072583901 /nfs/dbraw/zinc/58/39/01/1072583901.db2.gz OCFYPFBLKULCRL-HIFRSBDPSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341568 1072583895 /nfs/dbraw/zinc/58/38/95/1072583895.db2.gz OCFYPFBLKULCRL-HIFRSBDPSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341573 1072584480 /nfs/dbraw/zinc/58/44/80/1072584480.db2.gz OCFYPFBLKULCRL-UKRRQHHQSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341573 1072584476 /nfs/dbraw/zinc/58/44/76/1072584476.db2.gz OCFYPFBLKULCRL-UKRRQHHQSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341579 1072583484 /nfs/dbraw/zinc/58/34/84/1072583484.db2.gz OCFYPFBLKULCRL-ZFWWWQNUSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341579 1072583479 /nfs/dbraw/zinc/58/34/79/1072583479.db2.gz OCFYPFBLKULCRL-ZFWWWQNUSA-N 1 1 390.488 -0.234 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341738 1072583886 /nfs/dbraw/zinc/58/38/86/1072583886.db2.gz HPDCTYATVPIWCE-PBHICJAKSA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341738 1072583883 /nfs/dbraw/zinc/58/38/83/1072583883.db2.gz HPDCTYATVPIWCE-PBHICJAKSA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341750 1072584625 /nfs/dbraw/zinc/58/46/25/1072584625.db2.gz HPDCTYATVPIWCE-RHSMWYFYSA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341750 1072584613 /nfs/dbraw/zinc/58/46/13/1072584613.db2.gz HPDCTYATVPIWCE-RHSMWYFYSA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341754 1072583751 /nfs/dbraw/zinc/58/37/51/1072583751.db2.gz HPDCTYATVPIWCE-WMLDXEAASA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341754 1072583743 /nfs/dbraw/zinc/58/37/43/1072583743.db2.gz HPDCTYATVPIWCE-WMLDXEAASA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341761 1072583643 /nfs/dbraw/zinc/58/36/43/1072583643.db2.gz HPDCTYATVPIWCE-YOEHRIQHSA-N 1 1 376.457 -0.124 20 0 GBADMO C[C@H](NC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341761 1072583633 /nfs/dbraw/zinc/58/36/33/1072583633.db2.gz HPDCTYATVPIWCE-YOEHRIQHSA-N 1 1 376.457 -0.124 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342100 1072586231 /nfs/dbraw/zinc/58/62/31/1072586231.db2.gz XYHDLIKNGRTWAV-PBHICJAKSA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342100 1072586226 /nfs/dbraw/zinc/58/62/26/1072586226.db2.gz XYHDLIKNGRTWAV-PBHICJAKSA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342107 1072585503 /nfs/dbraw/zinc/58/55/03/1072585503.db2.gz XYHDLIKNGRTWAV-RHSMWYFYSA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685342107 1072585492 /nfs/dbraw/zinc/58/54/92/1072585492.db2.gz XYHDLIKNGRTWAV-RHSMWYFYSA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342109 1072584994 /nfs/dbraw/zinc/58/49/94/1072584994.db2.gz XYHDLIKNGRTWAV-WMLDXEAASA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685342109 1072584986 /nfs/dbraw/zinc/58/49/86/1072584986.db2.gz XYHDLIKNGRTWAV-WMLDXEAASA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342111 1072585391 /nfs/dbraw/zinc/58/53/91/1072585391.db2.gz XYHDLIKNGRTWAV-YOEHRIQHSA-N 1 1 379.457 -0.149 20 0 GBADMO COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342111 1072585386 /nfs/dbraw/zinc/58/53/86/1072585386.db2.gz XYHDLIKNGRTWAV-YOEHRIQHSA-N 1 1 379.457 -0.149 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)no1 ZINC000685342344 1072585411 /nfs/dbraw/zinc/58/54/11/1072585411.db2.gz ZGRNERDVZXXZGK-GDBMZVCRSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)no1 ZINC000685342344 1072585405 /nfs/dbraw/zinc/58/54/05/1072585405.db2.gz ZGRNERDVZXXZGK-GDBMZVCRSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)no1 ZINC000685342347 1072585436 /nfs/dbraw/zinc/58/54/36/1072585436.db2.gz ZGRNERDVZXXZGK-GOEBONIOSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)no1 ZINC000685342347 1072585429 /nfs/dbraw/zinc/58/54/29/1072585429.db2.gz ZGRNERDVZXXZGK-GOEBONIOSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)no1 ZINC000685342350 1072585306 /nfs/dbraw/zinc/58/53/06/1072585306.db2.gz ZGRNERDVZXXZGK-HOCLYGCPSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)no1 ZINC000685342350 1072585296 /nfs/dbraw/zinc/58/52/96/1072585296.db2.gz ZGRNERDVZXXZGK-HOCLYGCPSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)no1 ZINC000685342352 1072586257 /nfs/dbraw/zinc/58/62/57/1072586257.db2.gz ZGRNERDVZXXZGK-ZBFHGGJFSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)no1 ZINC000685342352 1072586254 /nfs/dbraw/zinc/58/62/54/1072586254.db2.gz ZGRNERDVZXXZGK-ZBFHGGJFSA-N 1 1 379.461 -0.537 20 0 GBADMO Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cs1 ZINC000685342498 1072585798 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/nfs/dbraw/zinc/58/60/32/1072586032.db2.gz ZBBLQHPQPCTBRF-CZUORRHYSA-N 1 1 395.529 -0.069 20 0 GBADMO Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cs1 ZINC000685342505 1072585568 /nfs/dbraw/zinc/58/55/68/1072585568.db2.gz ZBBLQHPQPCTBRF-XJKSGUPXSA-N 1 1 395.529 -0.069 20 0 GBADMO Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cs1 ZINC000685342505 1072585562 /nfs/dbraw/zinc/58/55/62/1072585562.db2.gz ZBBLQHPQPCTBRF-XJKSGUPXSA-N 1 1 395.529 -0.069 20 0 GBADMO COc1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OCCO ZINC000685342637 1072586934 /nfs/dbraw/zinc/58/69/34/1072586934.db2.gz JSZRKWRBFWDATI-CXAGYDPISA-N 1 1 395.456 -0.482 20 0 GBADMO COc1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OCCO ZINC000685342637 1072586916 /nfs/dbraw/zinc/58/69/16/1072586916.db2.gz JSZRKWRBFWDATI-CXAGYDPISA-N 1 1 395.456 -0.482 20 0 GBADMO COc1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCCO ZINC000685342638 1072586686 /nfs/dbraw/zinc/58/66/86/1072586686.db2.gz 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CCOC[C@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736608425 599074622 /nfs/dbraw/zinc/07/46/22/599074622.db2.gz KCZOXGAIGSDUDX-HZPDHXFCSA-N 1 1 389.460 -0.592 20 0 GBADMO CCOC[C@@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736608427 599075136 /nfs/dbraw/zinc/07/51/36/599075136.db2.gz KCZOXGAIGSDUDX-JKSUJKDBSA-N 1 1 389.460 -0.592 20 0 GBADMO CCOC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736609168 598353282 /nfs/dbraw/zinc/35/32/82/598353282.db2.gz OJKCOVSPEXLLHG-INIZCTEOSA-N 1 1 389.460 -0.180 20 0 GBADMO CCOC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736609169 598353517 /nfs/dbraw/zinc/35/35/17/598353517.db2.gz OJKCOVSPEXLLHG-MRXNPFEDSA-N 1 1 389.460 -0.180 20 0 GBADMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736609757 598377372 /nfs/dbraw/zinc/37/73/72/598377372.db2.gz SBPBOLVKYFSKOF-HNNXBMFYSA-N 1 1 390.444 -0.213 20 0 GBADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736609758 598377203 /nfs/dbraw/zinc/37/72/03/598377203.db2.gz SBPBOLVKYFSKOF-OAHLLOKOSA-N 1 1 390.444 -0.213 20 0 GBADMO CCOC[C@H](O)C[NH+]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736610362 598367143 /nfs/dbraw/zinc/36/71/43/598367143.db2.gz XLOHLIBXUZTRRU-GFCCVEGCSA-N 1 1 395.489 -0.118 20 0 GBADMO CCOC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736610363 598367464 /nfs/dbraw/zinc/36/74/64/598367464.db2.gz XLOHLIBXUZTRRU-LBPRGKRZSA-N 1 1 395.489 -0.118 20 0 GBADMO CCOC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736610914 598353029 /nfs/dbraw/zinc/35/30/29/598353029.db2.gz ZBOHFNSKSCYTJE-INIZCTEOSA-N 1 1 389.460 -0.180 20 0 GBADMO CCOC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736610916 598353248 /nfs/dbraw/zinc/35/32/48/598353248.db2.gz ZBOHFNSKSCYTJE-MRXNPFEDSA-N 1 1 389.460 -0.180 20 0 GBADMO CCOCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736617303 598722134 /nfs/dbraw/zinc/72/21/34/598722134.db2.gz CJWUMOISYVUFCP-UHFFFAOYSA-N 1 1 387.444 -0.223 20 0 GBADMO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000736633395 599283384 /nfs/dbraw/zinc/28/33/84/599283384.db2.gz ATVSIBMGDOMXBJ-UHFFFAOYSA-N 1 1 391.432 -0.102 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000736660873 637587228 /nfs/dbraw/zinc/58/72/28/637587228.db2.gz NBBYCLATZJAFPT-HNNXBMFYSA-N 1 1 376.523 -0.485 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000736660876 637586614 /nfs/dbraw/zinc/58/66/14/637586614.db2.gz NBBYCLATZJAFPT-OAHLLOKOSA-N 1 1 376.523 -0.485 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736746006 598590716 /nfs/dbraw/zinc/59/07/16/598590716.db2.gz DYWUNHVMDUZBFM-UHFFFAOYSA-N 1 1 387.444 -0.086 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736747047 598591114 /nfs/dbraw/zinc/59/11/14/598591114.db2.gz LSUZSBSNHLPFCM-UHFFFAOYSA-N 1 1 386.460 -0.053 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000736747504 598590661 /nfs/dbraw/zinc/59/06/61/598590661.db2.gz POTKMQHAVHJQHD-UHFFFAOYSA-N 1 1 387.444 -0.086 20 0 GBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736747530 598590786 /nfs/dbraw/zinc/59/07/86/598590786.db2.gz QKEYTUHTXQAXPF-UHFFFAOYSA-N 1 1 387.444 -0.086 20 0 GBADMO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCS(C)(=O)=O ZINC000736767893 598534306 /nfs/dbraw/zinc/53/43/06/598534306.db2.gz TVHSRGRNEGJDJQ-UHFFFAOYSA-N 1 1 395.489 -0.016 20 0 GBADMO CN(C)CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000736769819 599272205 /nfs/dbraw/zinc/27/22/05/599272205.db2.gz TYZBQFKDVCZPHG-UHFFFAOYSA-N 1 1 394.505 -0.048 20 0 GBADMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000736770725 598716506 /nfs/dbraw/zinc/71/65/06/598716506.db2.gz FXYBRVGDNNVQRN-UHFFFAOYSA-N 1 1 380.478 -0.335 20 0 GBADMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736771455 598716197 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QGYRLPBRDKYSKL-JSGCOSHPSA-N 1 1 381.458 -0.027 20 0 GBADMO C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736794309 598993612 /nfs/dbraw/zinc/99/36/12/598993612.db2.gz QGYRLPBRDKYSKL-JSGCOSHPSA-N 1 1 381.458 -0.027 20 0 GBADMO C[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000736794310 598993941 /nfs/dbraw/zinc/99/39/41/598993941.db2.gz QGYRLPBRDKYSKL-OCCSQVGLSA-N 1 1 381.458 -0.027 20 0 GBADMO C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000736794310 598993939 /nfs/dbraw/zinc/99/39/39/598993939.db2.gz QGYRLPBRDKYSKL-OCCSQVGLSA-N 1 1 381.458 -0.027 20 0 GBADMO C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000736794311 598993860 /nfs/dbraw/zinc/99/38/60/598993860.db2.gz QGYRLPBRDKYSKL-TZMCWYRMSA-N 1 1 381.458 -0.027 20 0 GBADMO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000736794311 598993859 /nfs/dbraw/zinc/99/38/59/598993859.db2.gz QGYRLPBRDKYSKL-TZMCWYRMSA-N 1 1 381.458 -0.027 20 0 GBADMO C[N@@H+](CCO)C1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801383 598349633 /nfs/dbraw/zinc/34/96/33/598349633.db2.gz JAUSIXSJCJYEAS-INIZCTEOSA-N 1 1 376.461 -0.005 20 0 GBADMO C[N@@H+](CCO)C1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801386 598349762 /nfs/dbraw/zinc/34/97/62/598349762.db2.gz JAUSIXSJCJYEAS-MRXNPFEDSA-N 1 1 376.461 -0.005 20 0 GBADMO CN1C(=O)N[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)C1=O ZINC000736845872 598761123 /nfs/dbraw/zinc/76/11/23/598761123.db2.gz OOQKYHDXHIIGSJ-KRWDZBQOSA-N 1 1 384.400 -0.179 20 0 GBADMO CN1C(=O)N[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)C1=O ZINC000736845874 598760845 /nfs/dbraw/zinc/76/08/45/598760845.db2.gz OOQKYHDXHIIGSJ-QGZVFWFLSA-N 1 1 384.400 -0.179 20 0 GBADMO C[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736847143 598622678 /nfs/dbraw/zinc/62/26/78/598622678.db2.gz FKKSBFMBHHCSQA-CYBMUJFWSA-N 1 1 378.458 -0.151 20 0 GBADMO 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ZINC000737765616 598915985 /nfs/dbraw/zinc/91/59/85/598915985.db2.gz VFPDLLFGWJOMKE-ZDUSSCGKSA-N 1 1 393.473 -0.517 20 0 GBADMO NS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737765616 598915984 /nfs/dbraw/zinc/91/59/84/598915984.db2.gz VFPDLLFGWJOMKE-ZDUSSCGKSA-N 1 1 393.473 -0.517 20 0 GBADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737766130 598899769 /nfs/dbraw/zinc/89/97/69/598899769.db2.gz YFVOVHQYUCCWSZ-CYBMUJFWSA-N 1 1 379.446 -0.052 20 0 GBADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737766134 598899545 /nfs/dbraw/zinc/89/95/45/598899545.db2.gz YFVOVHQYUCCWSZ-ZDUSSCGKSA-N 1 1 379.446 -0.052 20 0 GBADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737766777 598377721 /nfs/dbraw/zinc/37/77/21/598377721.db2.gz WFSDSLXEVHARPO-GFCCVEGCSA-N 1 1 381.462 -0.249 20 0 GBADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737766778 598377792 /nfs/dbraw/zinc/37/77/92/598377792.db2.gz WFSDSLXEVHARPO-LBPRGKRZSA-N 1 1 381.462 -0.249 20 0 GBADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737766799 598428234 /nfs/dbraw/zinc/42/82/34/598428234.db2.gz XALVOQFOUZLWEN-GFCCVEGCSA-N 1 1 381.462 -0.249 20 0 GBADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737766803 598428245 /nfs/dbraw/zinc/42/82/45/598428245.db2.gz XALVOQFOUZLWEN-LBPRGKRZSA-N 1 1 381.462 -0.249 20 0 GBADMO NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737770770 599298812 /nfs/dbraw/zinc/29/88/12/599298812.db2.gz ZQYWGFUWGHCDOI-LLVKDONJSA-N 1 1 379.446 -0.575 20 0 GBADMO NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737770771 599302160 /nfs/dbraw/zinc/30/21/60/599302160.db2.gz ZQYWGFUWGHCDOI-NSHDSACASA-N 1 1 379.446 -0.575 20 0 GBADMO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NCC[NH+]1CCSCC1 ZINC000737890132 598780638 /nfs/dbraw/zinc/78/06/38/598780638.db2.gz UDLVLMKANUHEJG-UHFFFAOYSA-N 1 1 375.458 -0.239 20 0 GBADMO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000737890670 598407271 /nfs/dbraw/zinc/40/72/71/598407271.db2.gz WYMFZGAJEGXCMA-CABCVRRESA-N 1 1 385.428 -0.424 20 0 GBADMO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000737890676 598407262 /nfs/dbraw/zinc/40/72/62/598407262.db2.gz WYMFZGAJEGXCMA-GJZGRUSLSA-N 1 1 385.428 -0.424 20 0 GBADMO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000737890680 598407249 /nfs/dbraw/zinc/40/72/49/598407249.db2.gz WYMFZGAJEGXCMA-HUUCEWRRSA-N 1 1 385.428 -0.424 20 0 GBADMO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000737890683 598407329 /nfs/dbraw/zinc/40/73/29/598407329.db2.gz WYMFZGAJEGXCMA-LSDHHAIUSA-N 1 1 385.428 -0.424 20 0 GBADMO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000737960380 599038493 /nfs/dbraw/zinc/03/84/93/599038493.db2.gz FIRWSVLSIIBHMQ-KRWDZBQOSA-N 1 1 385.472 -0.068 20 0 GBADMO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000737960381 599038257 /nfs/dbraw/zinc/03/82/57/599038257.db2.gz FIRWSVLSIIBHMQ-QGZVFWFLSA-N 1 1 385.472 -0.068 20 0 GBADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738050593 599283899 /nfs/dbraw/zinc/28/38/99/599283899.db2.gz COUGZAWJCKTFAA-NEPJUHHUSA-N 1 1 389.391 -0.076 20 0 GBADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738050596 599283870 /nfs/dbraw/zinc/28/38/70/599283870.db2.gz COUGZAWJCKTFAA-NWDGAFQWSA-N 1 1 389.391 -0.076 20 0 GBADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738050598 599284185 /nfs/dbraw/zinc/28/41/85/599284185.db2.gz COUGZAWJCKTFAA-RYUDHWBXSA-N 1 1 389.391 -0.076 20 0 GBADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738050600 599284177 /nfs/dbraw/zinc/28/41/77/599284177.db2.gz COUGZAWJCKTFAA-VXGBXAGGSA-N 1 1 389.391 -0.076 20 0 GBADMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738066983 598635815 /nfs/dbraw/zinc/63/58/15/598635815.db2.gz WKCALSQLBBUPLC-UHFFFAOYSA-N 1 1 377.380 -0.217 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738066985 599021438 /nfs/dbraw/zinc/02/14/38/599021438.db2.gz WLVOXSITURIICU-UHFFFAOYSA-N 1 1 394.443 -0.006 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738067006 598458538 /nfs/dbraw/zinc/45/85/38/598458538.db2.gz XIIWRUFQEUQRLK-UHFFFAOYSA-N 1 1 394.443 -0.006 20 0 GBADMO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000738078067 598255813 /nfs/dbraw/zinc/25/58/13/598255813.db2.gz MOSOKQLBVODIKD-KBPBESRZSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000738078069 598256011 /nfs/dbraw/zinc/25/60/11/598256011.db2.gz MOSOKQLBVODIKD-KGLIPLIRSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000738078072 598255731 /nfs/dbraw/zinc/25/57/31/598255731.db2.gz MOSOKQLBVODIKD-UONOGXRCSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000738078074 598256021 /nfs/dbraw/zinc/25/60/21/598256021.db2.gz MOSOKQLBVODIKD-ZIAGYGMSSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ncccc1-c1nn[nH]n1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000738078567 598257848 /nfs/dbraw/zinc/25/78/48/598257848.db2.gz SCWCIFMWYFTMPC-CHWSQXEVSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ncccc1-c1nn[nH]n1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000738078568 598257762 /nfs/dbraw/zinc/25/77/62/598257762.db2.gz SCWCIFMWYFTMPC-OLZOCXBDSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ncccc1-c1nn[nH]n1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000738078571 598258058 /nfs/dbraw/zinc/25/80/58/598258058.db2.gz SCWCIFMWYFTMPC-QWHCGFSZSA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCNc1ncccc1-c1nn[nH]n1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000738078574 598257642 /nfs/dbraw/zinc/25/76/42/598257642.db2.gz SCWCIFMWYFTMPC-STQMWFEESA-N 1 1 387.448 -0.164 20 0 GBADMO O=C(NCCO)C1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000738083770 598761522 /nfs/dbraw/zinc/76/15/22/598761522.db2.gz UUGRTWUTLPPZJH-INIZCTEOSA-N 1 1 399.455 -0.208 20 0 GBADMO O=C(NCCO)C1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000738083773 598761713 /nfs/dbraw/zinc/76/17/13/598761713.db2.gz UUGRTWUTLPPZJH-MRXNPFEDSA-N 1 1 399.455 -0.208 20 0 GBADMO O=C(CN1CC(=O)NC1=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738302777 598625444 /nfs/dbraw/zinc/62/54/44/598625444.db2.gz NNZLMMAKHDIHIK-UHFFFAOYSA-N 1 1 398.427 -0.547 20 0 GBADMO O=C1NC(=O)[C@@]2(CC[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738314726 599289720 /nfs/dbraw/zinc/28/97/20/599289720.db2.gz DIBZTRGLOKYIMU-PXAZEXFGSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738314726 599289718 /nfs/dbraw/zinc/28/97/18/599289718.db2.gz DIBZTRGLOKYIMU-PXAZEXFGSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@@]2(CC[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738314727 599290492 /nfs/dbraw/zinc/29/04/92/599290492.db2.gz DIBZTRGLOKYIMU-SJCJKPOMSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@@]2(CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738314727 599290490 /nfs/dbraw/zinc/29/04/90/599290490.db2.gz DIBZTRGLOKYIMU-SJCJKPOMSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@]2(CC[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738315074 599290776 /nfs/dbraw/zinc/29/07/76/599290776.db2.gz DIBZTRGLOKYIMU-SJKOYZFVSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738315074 599290775 /nfs/dbraw/zinc/29/07/75/599290775.db2.gz DIBZTRGLOKYIMU-SJKOYZFVSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@]2(CC[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738315076 599290810 /nfs/dbraw/zinc/29/08/10/599290810.db2.gz DIBZTRGLOKYIMU-YVEFUNNKSA-N 1 1 382.384 -0.744 20 0 GBADMO O=C1NC(=O)[C@]2(CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000738315076 599290807 /nfs/dbraw/zinc/29/08/07/599290807.db2.gz DIBZTRGLOKYIMU-YVEFUNNKSA-N 1 1 382.384 -0.744 20 0 GBADMO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000738357306 599173984 /nfs/dbraw/zinc/17/39/84/599173984.db2.gz OQYXYQRBJVDBBG-CABCVRRESA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](N2CCOCC2)C1 ZINC000738357310 599173377 /nfs/dbraw/zinc/17/33/77/599173377.db2.gz OQYXYQRBJVDBBG-GJZGRUSLSA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](N2CCOCC2)C1 ZINC000738357312 599174160 /nfs/dbraw/zinc/17/41/60/599174160.db2.gz OQYXYQRBJVDBBG-HUUCEWRRSA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](N2CCOCC2)C1 ZINC000738357315 599173704 /nfs/dbraw/zinc/17/37/04/599173704.db2.gz OQYXYQRBJVDBBG-LSDHHAIUSA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738357740 599173815 /nfs/dbraw/zinc/17/38/15/599173815.db2.gz RQRGEPVKJVJMHH-CABCVRRESA-N 1 1 378.458 -0.546 20 0 GBADMO O=S1(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](N2CCOCC2)C1 ZINC000738357742 599173692 /nfs/dbraw/zinc/17/36/92/599173692.db2.gz RQRGEPVKJVJMHH-GJZGRUSLSA-N 1 1 378.458 -0.546 20 0 GBADMO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](N2CCOCC2)C1 ZINC000738357745 599173433 /nfs/dbraw/zinc/17/34/33/599173433.db2.gz RQRGEPVKJVJMHH-HUUCEWRRSA-N 1 1 378.458 -0.546 20 0 GBADMO O=S1(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](N2CCOCC2)C1 ZINC000738357748 599174204 /nfs/dbraw/zinc/17/42/04/599174204.db2.gz RQRGEPVKJVJMHH-LSDHHAIUSA-N 1 1 378.458 -0.546 20 0 GBADMO O[C@H](CN1CCOCC1)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738383937 598274252 /nfs/dbraw/zinc/27/42/52/598274252.db2.gz XYJAZZONAHLZLL-HNNXBMFYSA-N 1 1 391.451 -0.179 20 0 GBADMO O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738383939 598274348 /nfs/dbraw/zinc/27/43/48/598274348.db2.gz XYJAZZONAHLZLL-OAHLLOKOSA-N 1 1 391.451 -0.179 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739457527 603023171 /nfs/dbraw/zinc/02/31/71/603023171.db2.gz VRYSWXVTKGGIFO-HNNXBMFYSA-N 1 1 383.493 -0.317 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739457528 603023019 /nfs/dbraw/zinc/02/30/19/603023019.db2.gz VRYSWXVTKGGIFO-OAHLLOKOSA-N 1 1 383.493 -0.317 20 0 GBADMO C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739737236 602996752 /nfs/dbraw/zinc/99/67/52/602996752.db2.gz WCMPENCVRGKEJA-UHFFFAOYSA-N 1 1 376.417 -0.406 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)N(C)C1CCOCC1 ZINC000739953210 637619201 /nfs/dbraw/zinc/61/92/01/637619201.db2.gz GUTYDKBYSJBZLY-HNNXBMFYSA-N 1 1 376.523 -0.126 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)N(C)C1CCOCC1 ZINC000739953210 637619198 /nfs/dbraw/zinc/61/91/98/637619198.db2.gz 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C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820444518 607002118 /nfs/dbraw/zinc/00/21/18/607002118.db2.gz KAGJMBNSJFVYCH-LLVKDONJSA-N 1 1 393.473 -0.256 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820444520 607002144 /nfs/dbraw/zinc/00/21/44/607002144.db2.gz KAGJMBNSJFVYCH-NSHDSACASA-N 1 1 393.473 -0.256 20 0 GBADMO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820444695 607027019 /nfs/dbraw/zinc/02/70/19/607027019.db2.gz LHBKVLRXOVKNGH-GFCCVEGCSA-N 1 1 395.489 -0.010 20 0 GBADMO CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820444696 607027210 /nfs/dbraw/zinc/02/72/10/607027210.db2.gz LHBKVLRXOVKNGH-LBPRGKRZSA-N 1 1 395.489 -0.010 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820445895 945451370 /nfs/dbraw/zinc/45/13/70/945451370.db2.gz RLQJVDMMPNPGKF-NEPJUHHUSA-N 1 1 393.473 -0.399 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820445905 945450682 /nfs/dbraw/zinc/45/06/82/945450682.db2.gz RLQJVDMMPNPGKF-NWDGAFQWSA-N 1 1 393.473 -0.399 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000820445908 945450851 /nfs/dbraw/zinc/45/08/51/945450851.db2.gz RLQJVDMMPNPGKF-RYUDHWBXSA-N 1 1 393.473 -0.399 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000820445910 945450435 /nfs/dbraw/zinc/45/04/35/945450435.db2.gz RLQJVDMMPNPGKF-VXGBXAGGSA-N 1 1 393.473 -0.399 20 0 GBADMO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820450623 607002038 /nfs/dbraw/zinc/00/20/38/607002038.db2.gz NSLKWOFDGKYRNT-LLVKDONJSA-N 1 1 393.473 -0.256 20 0 GBADMO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000820450625 607001970 /nfs/dbraw/zinc/00/19/70/607001970.db2.gz NSLKWOFDGKYRNT-NSHDSACASA-N 1 1 393.473 -0.256 20 0 GBADMO 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YAFFTDLMZRGTLC-CQSZACIVSA-N 1 1 391.428 -0.004 20 0 GBADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC000821377862 607217534 /nfs/dbraw/zinc/21/75/34/607217534.db2.gz GXCHSVVSQMTXQU-CHWSQXEVSA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC000821377862 607217533 /nfs/dbraw/zinc/21/75/33/607217533.db2.gz GXCHSVVSQMTXQU-CHWSQXEVSA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC000821377863 607217436 /nfs/dbraw/zinc/21/74/36/607217436.db2.gz GXCHSVVSQMTXQU-OLZOCXBDSA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC000821377863 607217435 /nfs/dbraw/zinc/21/74/35/607217435.db2.gz GXCHSVVSQMTXQU-OLZOCXBDSA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000821377864 607217664 /nfs/dbraw/zinc/21/76/64/607217664.db2.gz GXCHSVVSQMTXQU-QWHCGFSZSA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000821377864 607217663 /nfs/dbraw/zinc/21/76/63/607217663.db2.gz GXCHSVVSQMTXQU-QWHCGFSZSA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000821377865 607217415 /nfs/dbraw/zinc/21/74/15/607217415.db2.gz GXCHSVVSQMTXQU-STQMWFEESA-N 1 1 377.453 -0.289 20 0 GBADMO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000821377865 607217414 /nfs/dbraw/zinc/21/74/14/607217414.db2.gz GXCHSVVSQMTXQU-STQMWFEESA-N 1 1 377.453 -0.289 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821575404 606767964 /nfs/dbraw/zinc/76/79/64/606767964.db2.gz AOYISWYBDSYXNT-UHFFFAOYSA-N 1 1 386.460 -0.099 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821575565 945720403 /nfs/dbraw/zinc/72/04/03/945720403.db2.gz GZGQKDDHRCISBV-GFCCVEGCSA-N 1 1 390.452 -0.336 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821575566 945720343 /nfs/dbraw/zinc/72/03/43/945720343.db2.gz GZGQKDDHRCISBV-LBPRGKRZSA-N 1 1 390.452 -0.336 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821575639 606772045 /nfs/dbraw/zinc/77/20/45/606772045.db2.gz JXDPIUVPSRPNLP-UHFFFAOYSA-N 1 1 376.425 -0.772 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821575658 606768010 /nfs/dbraw/zinc/76/80/10/606768010.db2.gz KPFXDYOBHUVHJV-UHFFFAOYSA-N 1 1 387.444 -0.132 20 0 GBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000821575675 606767865 /nfs/dbraw/zinc/76/78/65/606767865.db2.gz LGXVVZGQVHRDHG-UHFFFAOYSA-N 1 1 387.444 -0.132 20 0 GBADMO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)nc2)C1 ZINC000821583110 607506222 /nfs/dbraw/zinc/50/62/22/607506222.db2.gz IWALAXHVFIKORX-GFCCVEGCSA-N 1 1 383.420 -0.368 20 0 GBADMO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)nc2)C1 ZINC000821583111 607506252 /nfs/dbraw/zinc/50/62/52/607506252.db2.gz IWALAXHVFIKORX-LBPRGKRZSA-N 1 1 383.420 -0.368 20 0 GBADMO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821584645 607211532 /nfs/dbraw/zinc/21/15/32/607211532.db2.gz MLAJARDEQIJDIW-UHFFFAOYSA-N 1 1 384.404 -0.013 20 0 GBADMO C[NH+](C)CCN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821584652 606913006 /nfs/dbraw/zinc/91/30/06/606913006.db2.gz MTZAGAJQQNQBJQ-HNNXBMFYSA-N 1 1 392.485 -0.014 20 0 GBADMO C[NH+](C)CCN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584653 606912790 /nfs/dbraw/zinc/91/27/90/606912790.db2.gz MTZAGAJQQNQBJQ-OAHLLOKOSA-N 1 1 392.485 -0.014 20 0 GBADMO C[NH+](C)CCN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821584660 606913018 /nfs/dbraw/zinc/91/30/18/606913018.db2.gz NEMIUXURPJYZFB-HNNXBMFYSA-N 1 1 392.485 -0.014 20 0 GBADMO C[NH+](C)CCN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584661 606912887 /nfs/dbraw/zinc/91/28/87/606912887.db2.gz NEMIUXURPJYZFB-OAHLLOKOSA-N 1 1 392.485 -0.014 20 0 GBADMO C[NH+](C)C[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000821584713 606188103 /nfs/dbraw/zinc/18/81/03/606188103.db2.gz PMCDIQWGKFIXTD-AWEZNQCLSA-N 1 1 380.474 -0.097 20 0 GBADMO C[NH+](C)C[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000821584714 606188244 /nfs/dbraw/zinc/18/82/44/606188244.db2.gz PMCDIQWGKFIXTD-CQSZACIVSA-N 1 1 380.474 -0.097 20 0 GBADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000821584814 606912809 /nfs/dbraw/zinc/91/28/09/606912809.db2.gz UBMZDJACCHXLFA-GFCCVEGCSA-N 1 1 381.462 -0.604 20 0 GBADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000821584815 606912745 /nfs/dbraw/zinc/91/27/45/606912745.db2.gz UBMZDJACCHXLFA-LBPRGKRZSA-N 1 1 381.462 -0.604 20 0 GBADMO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821586082 607212831 /nfs/dbraw/zinc/21/28/31/607212831.db2.gz IWSMEMJXLBXLIR-UHFFFAOYSA-N 1 1 379.425 -0.810 20 0 GBADMO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821587039 607213482 /nfs/dbraw/zinc/21/34/82/607213482.db2.gz CVPUEBDVLYAGRZ-UHFFFAOYSA-N 1 1 398.431 -0.934 20 0 GBADMO C[NH+](C)CCOc1ccc(CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821587083 607214034 /nfs/dbraw/zinc/21/40/34/607214034.db2.gz FXBUGKZSNLYDMX-UHFFFAOYSA-N 1 1 385.432 -0.243 20 0 GBADMO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821587176 607215169 /nfs/dbraw/zinc/21/51/69/607215169.db2.gz KHXUNPRLRFSFPK-UHFFFAOYSA-N 1 1 398.431 -0.934 20 0 GBADMO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc21 ZINC000821587339 607212233 /nfs/dbraw/zinc/21/22/33/607212233.db2.gz SDDBFSFDNOXBLY-UHFFFAOYSA-N 1 1 398.387 -0.434 20 0 GBADMO C[NH+](C)CCNC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821587438 607207189 /nfs/dbraw/zinc/20/71/89/607207189.db2.gz XECNGSUKPCMSJX-UHFFFAOYSA-N 1 1 384.404 -0.612 20 0 GBADMO C[NH+](C)Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)nc1 ZINC000821588330 607217442 /nfs/dbraw/zinc/21/74/42/607217442.db2.gz MSKAFXMCXMNPQI-UHFFFAOYSA-N 1 1 397.447 -0.736 20 0 GBADMO CN(C)c1[nH+]cc(CNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)n1C ZINC000821590819 606391828 /nfs/dbraw/zinc/39/18/28/606391828.db2.gz HIZSYEMGVLHCQH-UHFFFAOYSA-N 1 1 385.436 -0.028 20 0 GBADMO C[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821592469 606335667 /nfs/dbraw/zinc/33/56/67/606335667.db2.gz HKSHJWRGTNPWIT-INIZCTEOSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821592469 606335665 /nfs/dbraw/zinc/33/56/65/606335665.db2.gz HKSHJWRGTNPWIT-INIZCTEOSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821592470 606335368 /nfs/dbraw/zinc/33/53/68/606335368.db2.gz HKSHJWRGTNPWIT-MRXNPFEDSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821592470 606335367 /nfs/dbraw/zinc/33/53/67/606335367.db2.gz HKSHJWRGTNPWIT-MRXNPFEDSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821592552 606336069 /nfs/dbraw/zinc/33/60/69/606336069.db2.gz KUIYJCWZYHHNRP-INIZCTEOSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821592552 606336068 /nfs/dbraw/zinc/33/60/68/606336068.db2.gz KUIYJCWZYHHNRP-INIZCTEOSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821592553 606335483 /nfs/dbraw/zinc/33/54/83/606335483.db2.gz KUIYJCWZYHHNRP-MRXNPFEDSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821592553 606335481 /nfs/dbraw/zinc/33/54/81/606335481.db2.gz KUIYJCWZYHHNRP-MRXNPFEDSA-N 1 1 389.460 -0.892 20 0 GBADMO C[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595194 606336615 /nfs/dbraw/zinc/33/66/15/606336615.db2.gz OZRBVXAYRQTHFG-CVEARBPZSA-N 1 1 392.460 -0.769 20 0 GBADMO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821595195 606336376 /nfs/dbraw/zinc/33/63/76/606336376.db2.gz OZRBVXAYRQTHFG-HOTGVXAUSA-N 1 1 392.460 -0.769 20 0 GBADMO C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595196 606336138 /nfs/dbraw/zinc/33/61/38/606336138.db2.gz OZRBVXAYRQTHFG-HZPDHXFCSA-N 1 1 392.460 -0.769 20 0 GBADMO C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821595197 606336543 /nfs/dbraw/zinc/33/65/43/606336543.db2.gz OZRBVXAYRQTHFG-JKSUJKDBSA-N 1 1 392.460 -0.769 20 0 GBADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@H](O)CN1CCOCC1 ZINC000821597668 606336455 /nfs/dbraw/zinc/33/64/55/606336455.db2.gz CBYJJDPIZRUPQE-AWEZNQCLSA-N 1 1 389.460 -0.180 20 0 GBADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597669 606336562 /nfs/dbraw/zinc/33/65/62/606336562.db2.gz CBYJJDPIZRUPQE-CQSZACIVSA-N 1 1 389.460 -0.180 20 0 GBADMO C[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H](O)CN1CCOCC1 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COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000821690407 599608424 /nfs/dbraw/zinc/60/84/24/599608424.db2.gz KMNFAHMWOCBNJN-LBPRGKRZSA-N 1 1 389.416 -0.349 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821690633 607340482 /nfs/dbraw/zinc/34/04/82/607340482.db2.gz SLXWMGBDQFNUKE-LLVKDONJSA-N 1 1 377.380 -0.219 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821690634 607340554 /nfs/dbraw/zinc/34/05/54/607340554.db2.gz SLXWMGBDQFNUKE-NSHDSACASA-N 1 1 377.380 -0.219 20 0 GBADMO COCC[N@H+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821690892 599535106 /nfs/dbraw/zinc/53/51/06/599535106.db2.gz ALCMKKMDHXBVNL-LLVKDONJSA-N 1 1 381.462 -0.329 20 0 GBADMO COCC[N@H+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000821690893 599535387 /nfs/dbraw/zinc/53/53/87/599535387.db2.gz ALCMKKMDHXBVNL-NSHDSACASA-N 1 1 381.462 -0.329 20 0 GBADMO COCC[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821691278 606280805 /nfs/dbraw/zinc/28/08/05/606280805.db2.gz ORUNPIUSPLMKFA-UHFFFAOYSA-N 1 1 387.444 -0.223 20 0 GBADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000821701403 606336605 /nfs/dbraw/zinc/33/66/05/606336605.db2.gz NOERIMIYZYZJNX-HNNXBMFYSA-N 1 1 392.460 -0.121 20 0 GBADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000821701404 606336372 /nfs/dbraw/zinc/33/63/72/606336372.db2.gz NOERIMIYZYZJNX-OAHLLOKOSA-N 1 1 392.460 -0.121 20 0 GBADMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](CCO)CCN1CCOCC1 ZINC000821702231 606655980 /nfs/dbraw/zinc/65/59/80/606655980.db2.gz MQDCWLGSNBNUGT-UHFFFAOYSA-N 1 1 392.460 -0.119 20 0 GBADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000821753452 638002988 /nfs/dbraw/zinc/00/29/88/638002988.db2.gz IBDWKWKMHUREOL-CYBMUJFWSA-N 1 1 380.536 -0.024 20 0 GBADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000821753453 638002750 /nfs/dbraw/zinc/00/27/50/638002750.db2.gz IBDWKWKMHUREOL-ZDUSSCGKSA-N 1 1 380.536 -0.024 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000821755293 607292946 /nfs/dbraw/zinc/29/29/46/607292946.db2.gz DGHCSNQQCVPLNV-HZMBPMFUSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000821755293 607292945 /nfs/dbraw/zinc/29/29/45/607292945.db2.gz DGHCSNQQCVPLNV-HZMBPMFUSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000821755294 607293151 /nfs/dbraw/zinc/29/31/51/607293151.db2.gz DGHCSNQQCVPLNV-IINYFYTJSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000821755294 607293150 /nfs/dbraw/zinc/29/31/50/607293150.db2.gz DGHCSNQQCVPLNV-IINYFYTJSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000821755295 607292942 /nfs/dbraw/zinc/29/29/42/607292942.db2.gz DGHCSNQQCVPLNV-QMTHXVAHSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000821755295 607292941 /nfs/dbraw/zinc/29/29/41/607292941.db2.gz DGHCSNQQCVPLNV-QMTHXVAHSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000821755297 607293464 /nfs/dbraw/zinc/29/34/64/607293464.db2.gz DGHCSNQQCVPLNV-YGRLFVJLSA-N 1 1 389.416 -0.351 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000821755297 607293463 /nfs/dbraw/zinc/29/34/63/607293463.db2.gz DGHCSNQQCVPLNV-YGRLFVJLSA-N 1 1 389.416 -0.351 20 0 GBADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000821937801 607442904 /nfs/dbraw/zinc/44/29/04/607442904.db2.gz RDJYIUPTUZNXOE-NEPJUHHUSA-N 1 1 395.493 -0.634 20 0 GBADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000821937803 607443289 /nfs/dbraw/zinc/44/32/89/607443289.db2.gz RDJYIUPTUZNXOE-NWDGAFQWSA-N 1 1 395.493 -0.634 20 0 GBADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000821937805 607443041 /nfs/dbraw/zinc/44/30/41/607443041.db2.gz RDJYIUPTUZNXOE-RYUDHWBXSA-N 1 1 395.493 -0.634 20 0 GBADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000821937806 607442767 /nfs/dbraw/zinc/44/27/67/607442767.db2.gz RDJYIUPTUZNXOE-VXGBXAGGSA-N 1 1 395.493 -0.634 20 0 GBADMO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)cccc1-c1nn[nH]n1 ZINC000822052983 607272454 /nfs/dbraw/zinc/27/24/54/607272454.db2.gz IVYYUWZQOGQDCF-UHFFFAOYSA-N 1 1 386.460 -0.133 20 0 GBADMO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)c1-c1nn[nH]n1 ZINC000822319422 599598926 /nfs/dbraw/zinc/59/89/26/599598926.db2.gz RBOSKLNHXSYUFC-UHFFFAOYSA-N 1 1 386.460 -0.133 20 0 GBADMO C[C@@]1(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCS(=O)(=O)N1 ZINC000822385658 638004553 /nfs/dbraw/zinc/00/45/53/638004553.db2.gz SESCTWADEDKRBR-HNNXBMFYSA-N 1 1 375.491 -0.544 20 0 GBADMO C[C@]1(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCS(=O)(=O)N1 ZINC000822385659 638004881 /nfs/dbraw/zinc/00/48/81/638004881.db2.gz SESCTWADEDKRBR-OAHLLOKOSA-N 1 1 375.491 -0.544 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CO)C3)CC2)o1 ZINC000822422834 606374656 /nfs/dbraw/zinc/37/46/56/606374656.db2.gz DIWAVQCLWXRJFW-CYBMUJFWSA-N 1 1 390.448 -0.484 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](CO)C3)CC2)o1 ZINC000822422836 606374226 /nfs/dbraw/zinc/37/42/26/606374226.db2.gz DIWAVQCLWXRJFW-ZDUSSCGKSA-N 1 1 390.448 -0.484 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](CO)C3)CC2)o1 ZINC000822423447 946086105 /nfs/dbraw/zinc/08/61/05/946086105.db2.gz LGXAXCFKXJWVBN-GFCCVEGCSA-N 1 1 376.421 -0.874 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)C3)CC2)o1 ZINC000822423447 946086092 /nfs/dbraw/zinc/08/60/92/946086092.db2.gz LGXAXCFKXJWVBN-GFCCVEGCSA-N 1 1 376.421 -0.874 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@H](CO)C3)CC2)o1 ZINC000822423470 946086370 /nfs/dbraw/zinc/08/63/70/946086370.db2.gz LGXAXCFKXJWVBN-LBPRGKRZSA-N 1 1 376.421 -0.874 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](CO)C3)CC2)o1 ZINC000822423470 946086358 /nfs/dbraw/zinc/08/63/58/946086358.db2.gz LGXAXCFKXJWVBN-LBPRGKRZSA-N 1 1 376.421 -0.874 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)C[C@H]3CCOC3)CC2)o1 ZINC000822423572 606622616 /nfs/dbraw/zinc/62/26/16/606622616.db2.gz LUQFKPYXJGHOEN-CYBMUJFWSA-N 1 1 390.448 -0.220 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)C[C@H]3CCOC3)CC2)o1 ZINC000822423572 606622614 /nfs/dbraw/zinc/62/26/14/606622614.db2.gz LUQFKPYXJGHOEN-CYBMUJFWSA-N 1 1 390.448 -0.220 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCOC3)CC2)o1 ZINC000822423577 606622047 /nfs/dbraw/zinc/62/20/47/606622047.db2.gz LUQFKPYXJGHOEN-ZDUSSCGKSA-N 1 1 390.448 -0.220 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCOC3)CC2)o1 ZINC000822423577 606622045 /nfs/dbraw/zinc/62/20/45/606622045.db2.gz LUQFKPYXJGHOEN-ZDUSSCGKSA-N 1 1 390.448 -0.220 20 0 GBADMO Cc1nn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(N)c1-c1nn[nH]n1 ZINC000822496225 607160017 /nfs/dbraw/zinc/16/00/17/607160017.db2.gz FRDLMBILHZCPEH-GFCCVEGCSA-N 1 1 377.453 -0.573 20 0 GBADMO Cc1nn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(N)c1-c1nn[nH]n1 ZINC000822496226 607160344 /nfs/dbraw/zinc/16/03/44/607160344.db2.gz FRDLMBILHZCPEH-LBPRGKRZSA-N 1 1 377.453 -0.573 20 0 GBADMO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000822614017 606167339 /nfs/dbraw/zinc/16/73/39/606167339.db2.gz IFZHGCBDXWXCBR-JTQLQIEISA-N 1 1 376.425 -0.691 20 0 GBADMO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000822614018 606167744 /nfs/dbraw/zinc/16/77/44/606167744.db2.gz IFZHGCBDXWXCBR-SNVBAGLBSA-N 1 1 376.425 -0.691 20 0 GBADMO CN(C[C@@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000822616751 638005397 /nfs/dbraw/zinc/00/53/97/638005397.db2.gz HZSNVKJYMMYHBV-CHWSQXEVSA-N 1 1 380.511 -0.281 20 0 GBADMO CN(C[C@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000822616758 638006125 /nfs/dbraw/zinc/00/61/25/638006125.db2.gz HZSNVKJYMMYHBV-OLZOCXBDSA-N 1 1 380.511 -0.281 20 0 GBADMO CN(C[C@@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000822616759 638005746 /nfs/dbraw/zinc/00/57/46/638005746.db2.gz HZSNVKJYMMYHBV-QWHCGFSZSA-N 1 1 380.511 -0.281 20 0 GBADMO CN(C[C@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000822616760 638006135 /nfs/dbraw/zinc/00/61/35/638006135.db2.gz HZSNVKJYMMYHBV-STQMWFEESA-N 1 1 380.511 -0.281 20 0 GBADMO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000822638215 606277464 /nfs/dbraw/zinc/27/74/64/606277464.db2.gz ZVUAPTMUVXIURM-UHFFFAOYSA-N 1 1 396.459 -0.063 20 0 GBADMO Cn1ccnc(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1=O ZINC000822693443 606862460 /nfs/dbraw/zinc/86/24/60/606862460.db2.gz DXMKKRIWDKFGAG-HNNXBMFYSA-N 1 1 382.428 -0.184 20 0 GBADMO Cn1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1=O ZINC000822693444 606862797 /nfs/dbraw/zinc/86/27/97/606862797.db2.gz DXMKKRIWDKFGAG-OAHLLOKOSA-N 1 1 382.428 -0.184 20 0 GBADMO Cn1cc[nH+]c1N1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000822698724 599685740 /nfs/dbraw/zinc/68/57/40/599685740.db2.gz CGMLTIWWNQYFKU-UHFFFAOYSA-N 1 1 389.445 -0.426 20 0 GBADMO Cn1cc[nH+]c1N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822699391 599367864 /nfs/dbraw/zinc/36/78/64/599367864.db2.gz ZJKZWZBDSYMGCB-UHFFFAOYSA-N 1 1 395.427 -0.321 20 0 GBADMO Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000822704857 599103758 /nfs/dbraw/zinc/10/37/58/599103758.db2.gz PRVDTFGPEBUAJR-AWEZNQCLSA-N 1 1 383.412 -0.242 20 0 GBADMO Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000822704860 599103725 /nfs/dbraw/zinc/10/37/25/599103725.db2.gz PRVDTFGPEBUAJR-CQSZACIVSA-N 1 1 383.412 -0.242 20 0 GBADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000822890207 606067732 /nfs/dbraw/zinc/06/77/32/606067732.db2.gz PWJGZABBUFWJJK-LLVKDONJSA-N 1 1 379.446 -0.052 20 0 GBADMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000822890208 606066901 /nfs/dbraw/zinc/06/69/01/606066901.db2.gz PWJGZABBUFWJJK-NSHDSACASA-N 1 1 379.446 -0.052 20 0 GBADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890435 606067500 /nfs/dbraw/zinc/06/75/00/606067500.db2.gz VCUQZYWGNGSGFF-GXTWGEPZSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890435 606067496 /nfs/dbraw/zinc/06/74/96/606067496.db2.gz VCUQZYWGNGSGFF-GXTWGEPZSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890436 606067549 /nfs/dbraw/zinc/06/75/49/606067549.db2.gz VCUQZYWGNGSGFF-JSGCOSHPSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890436 606067545 /nfs/dbraw/zinc/06/75/45/606067545.db2.gz VCUQZYWGNGSGFF-JSGCOSHPSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890438 606067182 /nfs/dbraw/zinc/06/71/82/606067182.db2.gz VCUQZYWGNGSGFF-OCCSQVGLSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890438 606067177 /nfs/dbraw/zinc/06/71/77/606067177.db2.gz VCUQZYWGNGSGFF-OCCSQVGLSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890440 606066223 /nfs/dbraw/zinc/06/62/23/606066223.db2.gz VCUQZYWGNGSGFF-TZMCWYRMSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890440 606066218 /nfs/dbraw/zinc/06/62/18/606066218.db2.gz VCUQZYWGNGSGFF-TZMCWYRMSA-N 1 1 382.446 -0.641 20 0 GBADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890604 606071947 /nfs/dbraw/zinc/07/19/47/606071947.db2.gz ZHMJOFAMPLXAPL-CYBMUJFWSA-N 1 1 379.446 -0.052 20 0 GBADMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822890605 606071962 /nfs/dbraw/zinc/07/19/62/606071962.db2.gz ZHMJOFAMPLXAPL-ZDUSSCGKSA-N 1 1 379.446 -0.052 20 0 GBADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895147 606897945 /nfs/dbraw/zinc/89/79/45/606897945.db2.gz LOTLCFNPQLOJCW-BXUZGUMPSA-N 1 1 381.462 -0.595 20 0 GBADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895148 606897824 /nfs/dbraw/zinc/89/78/24/606897824.db2.gz LOTLCFNPQLOJCW-FZMZJTMJSA-N 1 1 381.462 -0.595 20 0 GBADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895149 606897897 /nfs/dbraw/zinc/89/78/97/606897897.db2.gz LOTLCFNPQLOJCW-RISCZKNCSA-N 1 1 381.462 -0.595 20 0 GBADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822895150 606898273 /nfs/dbraw/zinc/89/82/73/606898273.db2.gz LOTLCFNPQLOJCW-SMDDNHRTSA-N 1 1 381.462 -0.595 20 0 GBADMO 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JAFRZINTSPLNBY-LBPRGKRZSA-N 1 1 382.446 -0.122 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826083344 607555268 /nfs/dbraw/zinc/55/52/68/607555268.db2.gz JAFRZINTSPLNBY-LBPRGKRZSA-N 1 1 382.446 -0.122 20 0 GBADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083550 607556087 /nfs/dbraw/zinc/55/60/87/607556087.db2.gz MTNYGDWKXBYCLI-GXTWGEPZSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083550 607556085 /nfs/dbraw/zinc/55/60/85/607556085.db2.gz MTNYGDWKXBYCLI-GXTWGEPZSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083551 607556296 /nfs/dbraw/zinc/55/62/96/607556296.db2.gz MTNYGDWKXBYCLI-JSGCOSHPSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083551 607556294 /nfs/dbraw/zinc/55/62/94/607556294.db2.gz MTNYGDWKXBYCLI-JSGCOSHPSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083552 607556403 /nfs/dbraw/zinc/55/64/03/607556403.db2.gz MTNYGDWKXBYCLI-OCCSQVGLSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083552 607556400 /nfs/dbraw/zinc/55/64/00/607556400.db2.gz MTNYGDWKXBYCLI-OCCSQVGLSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083553 607556122 /nfs/dbraw/zinc/55/61/22/607556122.db2.gz MTNYGDWKXBYCLI-TZMCWYRMSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826083553 607556121 /nfs/dbraw/zinc/55/61/21/607556121.db2.gz MTNYGDWKXBYCLI-TZMCWYRMSA-N 1 1 382.446 -0.770 20 0 GBADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826083743 607556041 /nfs/dbraw/zinc/55/60/41/607556041.db2.gz PNKQJNDRDCMYLA-CYBMUJFWSA-N 1 1 379.446 -0.181 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826083744 607556347 /nfs/dbraw/zinc/55/63/47/607556347.db2.gz PNKQJNDRDCMYLA-ZDUSSCGKSA-N 1 1 379.446 -0.181 20 0 GBADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000826083772 607556499 /nfs/dbraw/zinc/55/64/99/607556499.db2.gz QFPSEOYBXJFJOQ-SECBINFHSA-N 1 1 385.475 -0.120 20 0 GBADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000826083773 607556063 /nfs/dbraw/zinc/55/60/63/607556063.db2.gz QFPSEOYBXJFJOQ-VIFPVBQESA-N 1 1 385.475 -0.120 20 0 GBADMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826111688 607525501 /nfs/dbraw/zinc/52/55/01/607525501.db2.gz KAIKMPGOXODLIW-INIZCTEOSA-N 1 1 388.428 -0.271 20 0 GBADMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826111689 607525283 /nfs/dbraw/zinc/52/52/83/607525283.db2.gz KAIKMPGOXODLIW-MRXNPFEDSA-N 1 1 388.428 -0.271 20 0 GBADMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826111698 607525995 /nfs/dbraw/zinc/52/59/95/607525995.db2.gz KBZOFYLQHHZLLL-INIZCTEOSA-N 1 1 388.428 -0.271 20 0 GBADMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826111699 607526168 /nfs/dbraw/zinc/52/61/68/607526168.db2.gz KBZOFYLQHHZLLL-MRXNPFEDSA-N 1 1 388.428 -0.271 20 0 GBADMO COC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826128649 947442893 /nfs/dbraw/zinc/44/28/93/947442893.db2.gz FXYNIESLHDTVSB-CYBMUJFWSA-N 1 1 377.401 -0.394 20 0 GBADMO COC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826128650 947442976 /nfs/dbraw/zinc/44/29/76/947442976.db2.gz FXYNIESLHDTVSB-ZDUSSCGKSA-N 1 1 377.401 -0.394 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 ZINC000826157742 947497875 /nfs/dbraw/zinc/49/78/75/947497875.db2.gz JOGZQYMWNQTJLE-UHFFFAOYSA-N 1 1 393.452 -0.549 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826157800 609302630 /nfs/dbraw/zinc/30/26/30/609302630.db2.gz MOLYKUOTWIMMKJ-UHFFFAOYSA-N 1 1 380.457 -0.676 20 0 GBADMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000826158745 608566716 /nfs/dbraw/zinc/56/67/16/608566716.db2.gz AUOHWYLWZCHNFL-UHFFFAOYSA-N 1 1 385.428 -0.087 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000826159797 609302682 /nfs/dbraw/zinc/30/26/82/609302682.db2.gz SPIKIRZARMVDOE-LLVKDONJSA-N 1 1 392.468 -0.533 20 0 GBADMO COCC[N@H+]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000826159798 609302500 /nfs/dbraw/zinc/30/25/00/609302500.db2.gz SPIKIRZARMVDOE-NSHDSACASA-N 1 1 392.468 -0.533 20 0 GBADMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000826169651 608361738 /nfs/dbraw/zinc/36/17/38/608361738.db2.gz ZWHCNUMLSRYMEK-LLVKDONJSA-N 1 1 381.462 -0.120 20 0 GBADMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000826169652 608361365 /nfs/dbraw/zinc/36/13/65/608361365.db2.gz ZWHCNUMLSRYMEK-NSHDSACASA-N 1 1 381.462 -0.120 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000826182287 607526878 /nfs/dbraw/zinc/52/68/78/607526878.db2.gz GKDYTSSUSPHUQC-LLVKDONJSA-N 1 1 381.462 -0.120 20 0 GBADMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000826182288 607526875 /nfs/dbraw/zinc/52/68/75/607526875.db2.gz GKDYTSSUSPHUQC-NSHDSACASA-N 1 1 381.462 -0.120 20 0 GBADMO COc1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1-c1nn[nH]n1 ZINC000826194282 607499741 /nfs/dbraw/zinc/49/97/41/607499741.db2.gz HSPLXWRWMHBUTI-GFCCVEGCSA-N 1 1 381.462 -0.120 20 0 GBADMO COc1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1-c1nn[nH]n1 ZINC000826194283 607499605 /nfs/dbraw/zinc/49/96/05/607499605.db2.gz HSPLXWRWMHBUTI-LBPRGKRZSA-N 1 1 381.462 -0.120 20 0 GBADMO Cc1cc(N2CC[C@@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)n(C)n1 ZINC000826269469 608035129 /nfs/dbraw/zinc/03/51/29/608035129.db2.gz NDOQKMHURSNZKU-GFCCVEGCSA-N 1 1 399.463 -0.116 20 0 GBADMO Cc1cc(N2CC[C@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)n(C)n1 ZINC000826269470 608035088 /nfs/dbraw/zinc/03/50/88/608035088.db2.gz NDOQKMHURSNZKU-LBPRGKRZSA-N 1 1 399.463 -0.116 20 0 GBADMO Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826303206 607593091 /nfs/dbraw/zinc/59/30/91/607593091.db2.gz FFIIAKXZMQHKIM-UHFFFAOYSA-N 1 1 393.473 -0.382 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCC[C@](C)(O)C3)CC2)o1 ZINC000826322778 608380015 /nfs/dbraw/zinc/38/00/15/608380015.db2.gz BDOQXFVIDHAPBI-KRWDZBQOSA-N 1 1 390.448 -0.341 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCC[C@@](C)(O)C3)CC2)o1 ZINC000826322779 608379803 /nfs/dbraw/zinc/37/98/03/608379803.db2.gz BDOQXFVIDHAPBI-QGZVFWFLSA-N 1 1 390.448 -0.341 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H](C)O)C3)CC2)o1 ZINC000826322877 609145378 /nfs/dbraw/zinc/14/53/78/609145378.db2.gz FREKALAWXSIFBI-AAEUAGOBSA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@H]([C@H](C)O)C3)CC2)o1 ZINC000826322877 609145376 /nfs/dbraw/zinc/14/53/76/609145376.db2.gz FREKALAWXSIFBI-AAEUAGOBSA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)O)C3)CC2)o1 ZINC000826322878 609144983 /nfs/dbraw/zinc/14/49/83/609144983.db2.gz FREKALAWXSIFBI-DGCLKSJQSA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@@H](C)O)C3)CC2)o1 ZINC000826322878 609144982 /nfs/dbraw/zinc/14/49/82/609144982.db2.gz FREKALAWXSIFBI-DGCLKSJQSA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)O)C3)CC2)o1 ZINC000826322879 609145356 /nfs/dbraw/zinc/14/53/56/609145356.db2.gz FREKALAWXSIFBI-WCQYABFASA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)O)C3)CC2)o1 ZINC000826322879 609145355 /nfs/dbraw/zinc/14/53/55/609145355.db2.gz FREKALAWXSIFBI-WCQYABFASA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@@H](C)O)C3)CC2)o1 ZINC000826322880 609145425 /nfs/dbraw/zinc/14/54/25/609145425.db2.gz FREKALAWXSIFBI-YPMHNXCESA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@H]([C@@H](C)O)C3)CC2)o1 ZINC000826322880 609145423 /nfs/dbraw/zinc/14/54/23/609145423.db2.gz FREKALAWXSIFBI-YPMHNXCESA-N 1 1 390.448 -0.486 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@@H]3C)CC2)o1 ZINC000826322941 608044132 /nfs/dbraw/zinc/04/41/32/608044132.db2.gz IJHJCVQEPZVATQ-CMPLNLGQSA-N 1 1 376.421 -0.733 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3C)CC2)o1 ZINC000826322942 608044382 /nfs/dbraw/zinc/04/43/82/608044382.db2.gz IJHJCVQEPZVATQ-JQWIXIFHSA-N 1 1 376.421 -0.733 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3C)CC2)o1 ZINC000826322943 608044413 /nfs/dbraw/zinc/04/44/13/608044413.db2.gz IJHJCVQEPZVATQ-PWSUYJOCSA-N 1 1 376.421 -0.733 20 0 GBADMO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H]3C)CC2)o1 ZINC000826322944 608044285 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NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826390376 609219723 /nfs/dbraw/zinc/21/97/23/609219723.db2.gz XWWRTAZMNAMINV-HUUCEWRRSA-N 1 1 387.444 -0.396 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826390377 609219427 /nfs/dbraw/zinc/21/94/27/609219427.db2.gz XWWRTAZMNAMINV-LSDHHAIUSA-N 1 1 387.444 -0.396 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390403 609219918 /nfs/dbraw/zinc/21/99/18/609219918.db2.gz YQDDOSCKUSHASB-CVEARBPZSA-N 1 1 399.455 -0.159 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390404 609219537 /nfs/dbraw/zinc/21/95/37/609219537.db2.gz YQDDOSCKUSHASB-HOTGVXAUSA-N 1 1 399.455 -0.159 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390405 609219862 /nfs/dbraw/zinc/21/98/62/609219862.db2.gz YQDDOSCKUSHASB-HZPDHXFCSA-N 1 1 399.455 -0.159 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390406 609219704 /nfs/dbraw/zinc/21/97/04/609219704.db2.gz YQDDOSCKUSHASB-JKSUJKDBSA-N 1 1 399.455 -0.159 20 0 GBADMO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826392229 608259128 /nfs/dbraw/zinc/25/91/28/608259128.db2.gz RCKPMXQLOSYOOH-UHFFFAOYSA-N 1 1 375.393 -0.421 20 0 GBADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826398699 608119203 /nfs/dbraw/zinc/11/92/03/608119203.db2.gz CMRSYSZTANILEQ-HNNXBMFYSA-N 1 1 383.460 -0.700 20 0 GBADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826398700 608119163 /nfs/dbraw/zinc/11/91/63/608119163.db2.gz CMRSYSZTANILEQ-OAHLLOKOSA-N 1 1 383.460 -0.700 20 0 GBADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826398956 608121649 /nfs/dbraw/zinc/12/16/49/608121649.db2.gz JIBQVKYPQYMPON-KRWDZBQOSA-N 1 1 382.472 -0.095 20 0 GBADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 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1 1 383.416 -0.659 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000826425789 608075823 /nfs/dbraw/zinc/07/58/23/608075823.db2.gz UDKRXEXLRKMEMV-CABCVRRESA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000826425789 608075822 /nfs/dbraw/zinc/07/58/22/608075822.db2.gz UDKRXEXLRKMEMV-CABCVRRESA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000826425790 608075834 /nfs/dbraw/zinc/07/58/34/608075834.db2.gz UDKRXEXLRKMEMV-GJZGRUSLSA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000826425790 608075833 /nfs/dbraw/zinc/07/58/33/608075833.db2.gz UDKRXEXLRKMEMV-GJZGRUSLSA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000826425791 608075845 /nfs/dbraw/zinc/07/58/45/608075845.db2.gz UDKRXEXLRKMEMV-HUUCEWRRSA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000826425791 608075844 /nfs/dbraw/zinc/07/58/44/608075844.db2.gz UDKRXEXLRKMEMV-HUUCEWRRSA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000826425792 608075786 /nfs/dbraw/zinc/07/57/86/608075786.db2.gz UDKRXEXLRKMEMV-LSDHHAIUSA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000826425792 608075785 /nfs/dbraw/zinc/07/57/85/608075785.db2.gz UDKRXEXLRKMEMV-LSDHHAIUSA-N 1 1 397.443 -0.543 20 0 GBADMO O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000826431570 608121530 /nfs/dbraw/zinc/12/15/30/608121530.db2.gz FVORPQNHBOPZSA-INIZCTEOSA-N 1 1 397.487 -0.263 20 0 GBADMO O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000826431571 608121535 /nfs/dbraw/zinc/12/15/35/608121535.db2.gz FVORPQNHBOPZSA-MRXNPFEDSA-N 1 1 397.487 -0.263 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826437000 607692167 /nfs/dbraw/zinc/69/21/67/607692167.db2.gz SCNNTDDXMBRCCW-UHFFFAOYSA-N 1 1 382.432 -0.073 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826437150 609193966 /nfs/dbraw/zinc/19/39/66/609193966.db2.gz YJKHRHFLOXBNBB-UHFFFAOYSA-N 1 1 382.432 -0.073 20 0 GBADMO O=C(NCC[NH+]1CCC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826437253 607775740 /nfs/dbraw/zinc/77/57/40/607775740.db2.gz CGPBOZURPCDJSG-UHFFFAOYSA-N 1 1 396.415 -0.733 20 0 GBADMO O=C(NCC[NH+]1CCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826437404 609369396 /nfs/dbraw/zinc/36/93/96/609369396.db2.gz KBTCWFULDRYUOI-UHFFFAOYSA-N 1 1 399.390 -0.048 20 0 GBADMO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000826452606 608360430 /nfs/dbraw/zinc/36/04/30/608360430.db2.gz ZGJYEUUQJAGNQT-CABCVRRESA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000826452607 608360030 /nfs/dbraw/zinc/36/00/30/608360030.db2.gz ZGJYEUUQJAGNQT-GJZGRUSLSA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000826452608 608360155 /nfs/dbraw/zinc/36/01/55/608360155.db2.gz ZGJYEUUQJAGNQT-HUUCEWRRSA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000826452609 608360218 /nfs/dbraw/zinc/36/02/18/608360218.db2.gz ZGJYEUUQJAGNQT-LSDHHAIUSA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000826456074 608361073 /nfs/dbraw/zinc/36/10/73/608361073.db2.gz OZFYYICQFSMSNR-CABCVRRESA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000826456075 608360878 /nfs/dbraw/zinc/36/08/78/608360878.db2.gz OZFYYICQFSMSNR-GJZGRUSLSA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000826456076 608360951 /nfs/dbraw/zinc/36/09/51/608360951.db2.gz OZFYYICQFSMSNR-HUUCEWRRSA-N 1 1 385.428 -0.137 20 0 GBADMO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000826456077 608360590 /nfs/dbraw/zinc/36/05/90/608360590.db2.gz OZFYYICQFSMSNR-LSDHHAIUSA-N 1 1 385.428 -0.137 20 0 GBADMO O=C1NC(=O)[C@@]2(CC[N@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481972 948396627 /nfs/dbraw/zinc/39/66/27/948396627.db2.gz OCVZQWIEVIHGOA-ACJLOTCBSA-N 1 1 396.411 -0.354 20 0 GBADMO O=C1NC(=O)[C@]2(CC[N@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481973 948396359 /nfs/dbraw/zinc/39/63/59/948396359.db2.gz OCVZQWIEVIHGOA-FZKQIMNGSA-N 1 1 396.411 -0.354 20 0 GBADMO O=C1NC(=O)[C@]2(CC[N@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481974 948396142 /nfs/dbraw/zinc/39/61/42/948396142.db2.gz OCVZQWIEVIHGOA-SCLBCKFNSA-N 1 1 396.411 -0.354 20 0 GBADMO O=C1NC(=O)[C@@]2(CC[N@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481975 948395316 /nfs/dbraw/zinc/39/53/16/948395316.db2.gz OCVZQWIEVIHGOA-UGSOOPFHSA-N 1 1 396.411 -0.354 20 0 GBADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826482235 607964627 /nfs/dbraw/zinc/96/46/27/607964627.db2.gz WWISPMJQDHWDML-AWEZNQCLSA-N 1 1 398.427 -0.501 20 0 GBADMO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CCC[N@H+](CCO)CC1 ZINC000826485110 608335165 /nfs/dbraw/zinc/33/51/65/608335165.db2.gz CGJGGYPQRPCPNH-UHFFFAOYSA-N 1 1 384.437 -0.164 20 0 GBADMO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CCC[N@@H+](CCO)CC1 ZINC000826485110 608335163 /nfs/dbraw/zinc/33/51/63/608335163.db2.gz CGJGGYPQRPCPNH-UHFFFAOYSA-N 1 1 384.437 -0.164 20 0 GBADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)nc1 ZINC000826490931 607634287 /nfs/dbraw/zinc/63/42/87/607634287.db2.gz NCMRKYPIDSMBSX-GFCCVEGCSA-N 1 1 381.462 -0.223 20 0 GBADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)nc1 ZINC000826490932 607634702 /nfs/dbraw/zinc/63/47/02/607634702.db2.gz NCMRKYPIDSMBSX-LBPRGKRZSA-N 1 1 381.462 -0.223 20 0 GBADMO O=S1(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2F)[C@@H](N2CCOCC2)C1 ZINC000826496085 608406993 /nfs/dbraw/zinc/40/69/93/608406993.db2.gz KONCYMZUFHPFSA-KBPBESRZSA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826496086 608406980 /nfs/dbraw/zinc/40/69/80/608406980.db2.gz KONCYMZUFHPFSA-KGLIPLIRSA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2F)[C@H](N2CCOCC2)C1 ZINC000826496087 608406815 /nfs/dbraw/zinc/40/68/15/608406815.db2.gz KONCYMZUFHPFSA-UONOGXRCSA-N 1 1 396.448 -0.407 20 0 GBADMO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2F)[C@H](N2CCOCC2)C1 ZINC000826496088 608406605 /nfs/dbraw/zinc/40/66/05/608406605.db2.gz KONCYMZUFHPFSA-ZIAGYGMSSA-N 1 1 396.448 -0.407 20 0 GBADMO COCC[N@@H+]1[C@H](C)CN(C(=O)NCCNS(=O)(=O)NC(C)C)C[C@@H]1C ZINC000826993849 638012612 /nfs/dbraw/zinc/01/26/12/638012612.db2.gz WLIVMNPOFLRGLQ-OKILXGFUSA-N 1 1 379.527 -0.431 20 0 GBADMO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000827356476 604868068 /nfs/dbraw/zinc/86/80/68/604868068.db2.gz SCURMORGFDQLHE-CYBMUJFWSA-N 1 1 380.449 -0.609 20 0 GBADMO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000827356481 604867923 /nfs/dbraw/zinc/86/79/23/604867923.db2.gz SCURMORGFDQLHE-ZDUSSCGKSA-N 1 1 380.449 -0.609 20 0 GBADMO C[NH+](C)C1CCN(CCNC(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000828011201 604133565 /nfs/dbraw/zinc/13/35/65/604133565.db2.gz YZFZFNIGTCTUAV-UHFFFAOYSA-N 1 1 384.525 -0.003 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000828196778 638015839 /nfs/dbraw/zinc/01/58/39/638015839.db2.gz XIWGLWWRUJSXHG-UHFFFAOYSA-N 1 1 385.262 -0.006 20 0 GBADMO COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000828202917 1073634660 /nfs/dbraw/zinc/63/46/60/1073634660.db2.gz OBSYPJJMRWARFA-AWEZNQCLSA-N 1 1 383.493 -0.572 20 0 GBADMO COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000828202917 1073634655 /nfs/dbraw/zinc/63/46/55/1073634655.db2.gz OBSYPJJMRWARFA-AWEZNQCLSA-N 1 1 383.493 -0.572 20 0 GBADMO COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000828202918 1073634753 /nfs/dbraw/zinc/63/47/53/1073634753.db2.gz OBSYPJJMRWARFA-CQSZACIVSA-N 1 1 383.493 -0.572 20 0 GBADMO COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000828202918 1073634751 /nfs/dbraw/zinc/63/47/51/1073634751.db2.gz OBSYPJJMRWARFA-CQSZACIVSA-N 1 1 383.493 -0.572 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000828481418 605767597 /nfs/dbraw/zinc/76/75/97/605767597.db2.gz OKBOPIGPVOOHKF-KFWWJZLASA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000828481418 605767596 /nfs/dbraw/zinc/76/75/96/605767596.db2.gz OKBOPIGPVOOHKF-KFWWJZLASA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[O-])C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000828481418 605767594 /nfs/dbraw/zinc/76/75/94/605767594.db2.gz OKBOPIGPVOOHKF-KFWWJZLASA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000828481419 605767403 /nfs/dbraw/zinc/76/74/03/605767403.db2.gz OKBOPIGPVOOHKF-RBSFLKMASA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000828481419 605767399 /nfs/dbraw/zinc/76/73/99/605767399.db2.gz OKBOPIGPVOOHKF-RBSFLKMASA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[O-])C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000828481419 605767395 /nfs/dbraw/zinc/76/73/95/605767395.db2.gz OKBOPIGPVOOHKF-RBSFLKMASA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000828481420 605767565 /nfs/dbraw/zinc/76/75/65/605767565.db2.gz OKBOPIGPVOOHKF-RRFJBIMHSA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000828481420 605767564 /nfs/dbraw/zinc/76/75/64/605767564.db2.gz OKBOPIGPVOOHKF-RRFJBIMHSA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[O-])C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000828481420 605767562 /nfs/dbraw/zinc/76/75/62/605767562.db2.gz OKBOPIGPVOOHKF-RRFJBIMHSA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000828481421 605767530 /nfs/dbraw/zinc/76/75/30/605767530.db2.gz OKBOPIGPVOOHKF-ZNMIVQPWSA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000828481421 605767527 /nfs/dbraw/zinc/76/75/27/605767527.db2.gz OKBOPIGPVOOHKF-ZNMIVQPWSA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[O-])C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000828481421 605767524 /nfs/dbraw/zinc/76/75/24/605767524.db2.gz OKBOPIGPVOOHKF-ZNMIVQPWSA-N 1 1 381.477 -0.518 20 0 GBADMO C[NH+]1CCCC[C@H]1C(=O)NCC(CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[O-] ZINC000828487737 603638542 /nfs/dbraw/zinc/63/85/42/603638542.db2.gz KJGYGINVQFMGFA-GJZGRUSLSA-N 1 1 383.493 -0.176 20 0 GBADMO C[NH+]1CCCC[C@@H]1C(=O)NCC(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)[O-] ZINC000828487738 603637984 /nfs/dbraw/zinc/63/79/84/603637984.db2.gz KJGYGINVQFMGFA-HUUCEWRRSA-N 1 1 383.493 -0.176 20 0 GBADMO C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[O-] ZINC000828487739 603637927 /nfs/dbraw/zinc/63/79/27/603637927.db2.gz KJGYGINVQFMGFA-QDMKHBRRSA-N 1 1 383.493 -0.176 20 0 GBADMO C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)[O-] ZINC000828487739 603637920 /nfs/dbraw/zinc/63/79/20/603637920.db2.gz KJGYGINVQFMGFA-QDMKHBRRSA-N 1 1 383.493 -0.176 20 0 GBADMO C[NH+]1CCCC[C@H]1C(=O)NC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)[O-] ZINC000828487739 603637917 /nfs/dbraw/zinc/63/79/17/603637917.db2.gz KJGYGINVQFMGFA-QDMKHBRRSA-N 1 1 383.493 -0.176 20 0 GBADMO Cn1cc(Br)c(C(=O)NCC[N@@H+](C)CCOCCO)cc1=O ZINC000829445328 638019186 /nfs/dbraw/zinc/01/91/86/638019186.db2.gz 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1 397.520 -0.097 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](CO)C1 ZINC000893023829 1073205958 /nfs/dbraw/zinc/20/59/58/1073205958.db2.gz QZORRRUGLIKYIC-INMHGKMJSA-N 1 1 397.520 -0.097 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@H](CO)C1 ZINC000893023829 1073205956 /nfs/dbraw/zinc/20/59/56/1073205956.db2.gz QZORRRUGLIKYIC-INMHGKMJSA-N 1 1 397.520 -0.097 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](CO)C1 ZINC000893023831 1073205974 /nfs/dbraw/zinc/20/59/74/1073205974.db2.gz QZORRRUGLIKYIC-VYDXJSESSA-N 1 1 397.520 -0.097 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@H](CO)C1 ZINC000893023831 1073205973 /nfs/dbraw/zinc/20/59/73/1073205973.db2.gz QZORRRUGLIKYIC-VYDXJSESSA-N 1 1 397.520 -0.097 20 0 GBADMO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025179 1073206208 /nfs/dbraw/zinc/20/62/08/1073206208.db2.gz YLDMRZROARPWHP-ILXRZTDVSA-N 1 1 387.550 -0.279 20 0 GBADMO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025179 1073206194 /nfs/dbraw/zinc/20/61/94/1073206194.db2.gz YLDMRZROARPWHP-ILXRZTDVSA-N 1 1 387.550 -0.279 20 0 GBADMO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025181 1073206090 /nfs/dbraw/zinc/20/60/90/1073206090.db2.gz YLDMRZROARPWHP-QLFBSQMISA-N 1 1 387.550 -0.279 20 0 GBADMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025181 1073206083 /nfs/dbraw/zinc/20/60/83/1073206083.db2.gz YLDMRZROARPWHP-QLFBSQMISA-N 1 1 387.550 -0.279 20 0 GBADMO CN1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC[N@@H+](C)CC1 ZINC000893028061 1073206031 /nfs/dbraw/zinc/20/60/31/1073206031.db2.gz FSUWBXJHMQLRIN-UHFFFAOYSA-N 1 1 387.481 -0.138 20 0 GBADMO CC(C)[NH+]1CCN(C2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000893028604 1073206683 /nfs/dbraw/zinc/20/66/83/1073206683.db2.gz HVKUXKGTTJUANT-UHFFFAOYSA-N 1 1 389.504 -0.045 20 0 GBADMO CC(=O)c1cn(C2CN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000893052149 1073211239 /nfs/dbraw/zinc/21/12/39/1073211239.db2.gz BWSPYGUIVQCYGQ-HNNXBMFYSA-N 1 1 391.476 -0.547 20 0 GBADMO CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000893052150 1073211378 /nfs/dbraw/zinc/21/13/78/1073211378.db2.gz BWSPYGUIVQCYGQ-OAHLLOKOSA-N 1 1 391.476 -0.547 20 0 GBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000893052173 1073211296 /nfs/dbraw/zinc/21/12/96/1073211296.db2.gz CNQGQPLLINQFKY-JTDSTZFVSA-N 1 1 379.505 -0.107 20 0 GBADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000893052174 1073211194 /nfs/dbraw/zinc/21/11/94/1073211194.db2.gz CNQGQPLLINQFKY-TXPKVOOTSA-N 1 1 379.505 -0.107 20 0 GBADMO Cn1nccc1[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052514 1073211455 /nfs/dbraw/zinc/21/14/55/1073211455.db2.gz GBDGLWVRDHVZMU-AEFFLSMTSA-N 1 1 392.504 -0.091 20 0 GBADMO Cn1nccc1[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052515 1073211212 /nfs/dbraw/zinc/21/12/12/1073211212.db2.gz GBDGLWVRDHVZMU-FUHWJXTLSA-N 1 1 392.504 -0.091 20 0 GBADMO Cn1nccc1[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052516 1073211563 /nfs/dbraw/zinc/21/15/63/1073211563.db2.gz GBDGLWVRDHVZMU-SJLPKXTDSA-N 1 1 392.504 -0.091 20 0 GBADMO Cn1nccc1[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052517 1073211341 /nfs/dbraw/zinc/21/13/41/1073211341.db2.gz GBDGLWVRDHVZMU-WMZOPIPTSA-N 1 1 392.504 -0.091 20 0 GBADMO Cn1[nH]c(=O)c2c1CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000893053272 1073211550 /nfs/dbraw/zinc/21/15/50/1073211550.db2.gz LBZAUENFQGSDBL-AWEZNQCLSA-N 1 1 378.477 -0.400 20 0 GBADMO Cn1[nH]c(=O)c2c1CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000893053273 1073211034 /nfs/dbraw/zinc/21/10/34/1073211034.db2.gz LBZAUENFQGSDBL-CQSZACIVSA-N 1 1 378.477 -0.400 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893053955 1073211503 /nfs/dbraw/zinc/21/15/03/1073211503.db2.gz SNPJAHPGDJYUJX-CEXWTWQISA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893053955 1073211498 /nfs/dbraw/zinc/21/14/98/1073211498.db2.gz SNPJAHPGDJYUJX-CEXWTWQISA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893053957 1073212499 /nfs/dbraw/zinc/21/24/99/1073212499.db2.gz SNPJAHPGDJYUJX-GUDVDZBRSA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893053957 1073212494 /nfs/dbraw/zinc/21/24/94/1073212494.db2.gz SNPJAHPGDJYUJX-GUDVDZBRSA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893053960 1073212070 /nfs/dbraw/zinc/21/20/70/1073212070.db2.gz SNPJAHPGDJYUJX-QRVBRYPASA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893053960 1073212063 /nfs/dbraw/zinc/21/20/63/1073212063.db2.gz SNPJAHPGDJYUJX-QRVBRYPASA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893053962 1073212417 /nfs/dbraw/zinc/21/24/17/1073212417.db2.gz SNPJAHPGDJYUJX-QYZOEREBSA-N 1 1 395.548 -0.367 20 0 GBADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893053962 1073212413 /nfs/dbraw/zinc/21/24/13/1073212413.db2.gz SNPJAHPGDJYUJX-QYZOEREBSA-N 1 1 395.548 -0.367 20 0 GBADMO NC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000893054759 1073210460 /nfs/dbraw/zinc/21/04/60/1073210460.db2.gz ZMHCQYBJFCUWNO-BXWFABGCSA-N 1 1 379.505 -0.310 20 0 GBADMO NC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000893054760 1073210346 /nfs/dbraw/zinc/21/03/46/1073210346.db2.gz ZMHCQYBJFCUWNO-FCEWJHQRSA-N 1 1 379.505 -0.310 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893100744 1073220693 /nfs/dbraw/zinc/22/06/93/1073220693.db2.gz VRHXDFVTZKIMTA-DLBZAZTESA-N 1 1 395.504 -0.692 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893100745 1073220455 /nfs/dbraw/zinc/22/04/55/1073220455.db2.gz VRHXDFVTZKIMTA-IAGOWNOFSA-N 1 1 395.504 -0.692 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893100746 1073220728 /nfs/dbraw/zinc/22/07/28/1073220728.db2.gz VRHXDFVTZKIMTA-IRXDYDNUSA-N 1 1 395.504 -0.692 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893100747 1073220384 /nfs/dbraw/zinc/22/03/84/1073220384.db2.gz VRHXDFVTZKIMTA-SJORKVTESA-N 1 1 395.504 -0.692 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)cn1 ZINC000893166621 1073242893 /nfs/dbraw/zinc/24/28/93/1073242893.db2.gz BVWBXJMCKARUQO-BBRMVZONSA-N 1 1 396.517 -0.081 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CC2)cn1 ZINC000893166622 1073242937 /nfs/dbraw/zinc/24/29/37/1073242937.db2.gz BVWBXJMCKARUQO-CJNGLKHVSA-N 1 1 396.517 -0.081 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)cn1 ZINC000893166623 1073242712 /nfs/dbraw/zinc/24/27/12/1073242712.db2.gz BVWBXJMCKARUQO-CZUORRHYSA-N 1 1 396.517 -0.081 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)cn1 ZINC000893166624 1073243059 /nfs/dbraw/zinc/24/30/59/1073243059.db2.gz BVWBXJMCKARUQO-XJKSGUPXSA-N 1 1 396.517 -0.081 20 0 GBADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)CC2)cn1 ZINC000893167009 1073242993 /nfs/dbraw/zinc/24/29/93/1073242993.db2.gz FHANBGNEYCTGCK-OKILXGFUSA-N 1 1 396.517 -0.224 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000893178826 1073250635 /nfs/dbraw/zinc/25/06/35/1073250635.db2.gz IKGBVZGPOAGWKV-AWEZNQCLSA-N 1 1 386.456 -0.200 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000893178827 1073250794 /nfs/dbraw/zinc/25/07/94/1073250794.db2.gz IKGBVZGPOAGWKV-CQSZACIVSA-N 1 1 386.456 -0.200 20 0 GBADMO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)CN1CC[NH+](C)CC1 ZINC000893236223 637376038 /nfs/dbraw/zinc/37/60/38/637376038.db2.gz FVSIWKFKNJBEQM-HNNXBMFYSA-N 1 1 375.539 -0.405 20 0 GBADMO C[C@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)CN1CC[NH+](C)CC1 ZINC000893236224 637376077 /nfs/dbraw/zinc/37/60/77/637376077.db2.gz FVSIWKFKNJBEQM-OAHLLOKOSA-N 1 1 375.539 -0.405 20 0 GBADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000893237516 1073266616 /nfs/dbraw/zinc/26/66/16/1073266616.db2.gz NJBBBXGJQREZMT-ARFHVFGLSA-N 1 1 385.509 -0.382 20 0 GBADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000893237518 1073266624 /nfs/dbraw/zinc/26/66/24/1073266624.db2.gz NJBBBXGJQREZMT-BZUAXINKSA-N 1 1 385.509 -0.382 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000893237520 1073266763 /nfs/dbraw/zinc/26/67/63/1073266763.db2.gz NJBBBXGJQREZMT-OAGGEKHMSA-N 1 1 385.509 -0.382 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000893237522 1073266823 /nfs/dbraw/zinc/26/68/23/1073266823.db2.gz NJBBBXGJQREZMT-XHSDSOJGSA-N 1 1 385.509 -0.382 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC000893238034 1073266414 /nfs/dbraw/zinc/26/64/14/1073266414.db2.gz KIWYCWOOBQPNNW-CVEARBPZSA-N 1 1 390.550 -0.285 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC000893238035 1073266662 /nfs/dbraw/zinc/26/66/62/1073266662.db2.gz KIWYCWOOBQPNNW-HOTGVXAUSA-N 1 1 390.550 -0.285 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000893238036 1073266785 /nfs/dbraw/zinc/26/67/85/1073266785.db2.gz KIWYCWOOBQPNNW-HZPDHXFCSA-N 1 1 390.550 -0.285 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000893238037 1073267428 /nfs/dbraw/zinc/26/74/28/1073267428.db2.gz KIWYCWOOBQPNNW-JKSUJKDBSA-N 1 1 390.550 -0.285 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000893238461 1073266577 /nfs/dbraw/zinc/26/65/77/1073266577.db2.gz LVCLNZMBGZUDFU-INIZCTEOSA-N 1 1 389.566 -0.015 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000893238463 1073266702 /nfs/dbraw/zinc/26/67/02/1073266702.db2.gz LVCLNZMBGZUDFU-MRXNPFEDSA-N 1 1 389.566 -0.015 20 0 GBADMO C[C@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC000893239092 637375830 /nfs/dbraw/zinc/37/58/30/637375830.db2.gz YCOGYQBGVYIECF-KFWWJZLASA-N 1 1 375.539 -0.564 20 0 GBADMO C[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)CN1CC[NH+](C)CC1 ZINC000893239095 637375872 /nfs/dbraw/zinc/37/58/72/637375872.db2.gz YCOGYQBGVYIECF-ZNMIVQPWSA-N 1 1 375.539 -0.564 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000893239734 1073267351 /nfs/dbraw/zinc/26/73/51/1073267351.db2.gz 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C[NH+]1CCN(C(=O)N2CCN(C(=O)CC[C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000896227313 1073334564 /nfs/dbraw/zinc/33/45/64/1073334564.db2.gz TYXGWDDJBVIIDD-LSDHHAIUSA-N 1 1 381.477 -0.689 20 0 GBADMO COC(=O)[C@@H]1O[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000896227462 1073334937 /nfs/dbraw/zinc/33/49/37/1073334937.db2.gz VSSXMNHMIPQRRC-RBSFLKMASA-N 1 1 382.461 -0.535 20 0 GBADMO COC(=O)c1ccc(CC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000896227470 1073335027 /nfs/dbraw/zinc/33/50/27/1073335027.db2.gz VWSNONWLFJPYCM-UHFFFAOYSA-N 1 1 389.456 -0.078 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CC2)CC1 ZINC000896227503 1073335004 /nfs/dbraw/zinc/33/50/04/1073335004.db2.gz XDMMFWXKBVRRCF-OLZOCXBDSA-N 1 1 394.394 -0.156 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCc4nncn4CC3)CC2)CC1 ZINC000896227563 1073334582 /nfs/dbraw/zinc/33/45/82/1073334582.db2.gz RFJRIXMAXGCGEJ-HNNXBMFYSA-N 1 1 375.477 -0.258 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCc4nncn4CC3)CC2)CC1 ZINC000896227564 1073334593 /nfs/dbraw/zinc/33/45/93/1073334593.db2.gz RFJRIXMAXGCGEJ-OAHLLOKOSA-N 1 1 375.477 -0.258 20 0 GBADMO COCCn1ncc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000896227608 1073335154 /nfs/dbraw/zinc/33/51/54/1073335154.db2.gz XGRSOSKUSYAJSR-UHFFFAOYSA-N 1 1 378.477 -0.037 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3[C@H]4CC[C@]5(COC(=O)[C@H]35)O4)CC2)CC1 ZINC000896227636 1073334763 /nfs/dbraw/zinc/33/47/63/1073334763.db2.gz XVLIZYKAJXZWHU-BKEDOTJMSA-N 1 1 392.456 -0.781 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(n4cnnn4)CCCCC3)CC2)CC1 ZINC000896227979 1073334802 /nfs/dbraw/zinc/33/48/02/1073334802.db2.gz AFOALENOXPZLEL-UHFFFAOYSA-N 1 1 390.492 -0.156 20 0 GBADMO COC(=O)c1ccnc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000896228011 1073334863 /nfs/dbraw/zinc/33/48/63/1073334863.db2.gz AYTILGTWCAVVEV-UHFFFAOYSA-N 1 1 375.429 -0.007 20 0 GBADMO Cn1nc(C2CC2)nc1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 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CCOC(=O)c1cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000896229468 1073335989 /nfs/dbraw/zinc/33/59/89/1073335989.db2.gz GXTZCIXCTLWEKT-UHFFFAOYSA-N 1 1 379.417 -0.024 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000896230431 1073335960 /nfs/dbraw/zinc/33/59/60/1073335960.db2.gz XTTPTNQGZYZRQK-UHFFFAOYSA-N 1 1 378.481 -0.518 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn(-c4cccnc4)nn3)CC2)CC1 ZINC000896230663 1073335942 /nfs/dbraw/zinc/33/59/42/1073335942.db2.gz RJOBCCBZRGOZPY-UHFFFAOYSA-N 1 1 384.444 -0.213 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000896231221 1073335680 /nfs/dbraw/zinc/33/56/80/1073335680.db2.gz XRSDDRJARBUOTN-HNNXBMFYSA-N 1 1 386.518 -0.287 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000896231222 1073335899 /nfs/dbraw/zinc/33/58/99/1073335899.db2.gz XRSDDRJARBUOTN-OAHLLOKOSA-N 1 1 386.518 -0.287 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn(C4CCOCC4)nn3)CC2)CC1 ZINC000896231249 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COCCn1cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000896234388 1073334925 /nfs/dbraw/zinc/33/49/25/1073334925.db2.gz MOTLTVRUVAGKNJ-UHFFFAOYSA-N 1 1 378.477 -0.037 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(N4CCOCC4)CCC3)CC2)CC1 ZINC000896234434 1073334648 /nfs/dbraw/zinc/33/46/48/1073334648.db2.gz OFFBICUGAUJGAJ-UHFFFAOYSA-N 1 1 379.505 -0.247 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3COCCN3CC(F)F)CC2)CC1 ZINC000896234459 1073334811 /nfs/dbraw/zinc/33/48/11/1073334811.db2.gz PEHNPDLHLFIBSA-AWEZNQCLSA-N 1 1 389.447 -0.536 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3COCCN3CC(F)F)CC2)CC1 ZINC000896234460 1073334606 /nfs/dbraw/zinc/33/46/06/1073334606.db2.gz PEHNPDLHLFIBSA-CQSZACIVSA-N 1 1 389.447 -0.536 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CC(=O)NCC(F)(F)F)CC2)CC1 ZINC000896234614 1073335013 /nfs/dbraw/zinc/33/50/13/1073335013.db2.gz WCXOKBGFQCYMKG-UHFFFAOYSA-N 1 1 379.383 -0.433 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CNC(=O)c3cccc(O)c3)CC2)CC1 ZINC000896234642 1073334636 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JUDPREADNCYILD-JSGCOSHPSA-N 1 1 386.522 -0.853 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cn1C ZINC000896563291 1073349438 /nfs/dbraw/zinc/34/94/38/1073349438.db2.gz JUDPREADNCYILD-OCCSQVGLSA-N 1 1 386.522 -0.853 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cn1C ZINC000896563291 1073349435 /nfs/dbraw/zinc/34/94/35/1073349435.db2.gz JUDPREADNCYILD-OCCSQVGLSA-N 1 1 386.522 -0.853 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cn1C ZINC000896563291 1073349414 /nfs/dbraw/zinc/34/94/14/1073349414.db2.gz JUDPREADNCYILD-OCCSQVGLSA-N 1 1 386.522 -0.853 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cn1C ZINC000896563292 1073349300 /nfs/dbraw/zinc/34/93/00/1073349300.db2.gz JUDPREADNCYILD-TZMCWYRMSA-N 1 1 386.522 -0.853 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cn1C ZINC000896563292 1073349296 /nfs/dbraw/zinc/34/92/96/1073349296.db2.gz JUDPREADNCYILD-TZMCWYRMSA-N 1 1 386.522 -0.853 20 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GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896573639 1073351111 /nfs/dbraw/zinc/35/11/11/1073351111.db2.gz VQTARYCEAZMDTE-PBHICJAKSA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896573657 1073350777 /nfs/dbraw/zinc/35/07/77/1073350777.db2.gz VQTARYCEAZMDTE-RHSMWYFYSA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896573996 1073351391 /nfs/dbraw/zinc/35/13/91/1073351391.db2.gz VQTARYCEAZMDTE-WMLDXEAASA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896573997 1073351294 /nfs/dbraw/zinc/35/12/94/1073351294.db2.gz VQTARYCEAZMDTE-YOEHRIQHSA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000896574286 1073351229 /nfs/dbraw/zinc/35/12/29/1073351229.db2.gz DTFYNJSXEFMUMI-PBHICJAKSA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000896574287 1073351083 /nfs/dbraw/zinc/35/10/83/1073351083.db2.gz DTFYNJSXEFMUMI-RHSMWYFYSA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000896574288 1073351255 /nfs/dbraw/zinc/35/12/55/1073351255.db2.gz DTFYNJSXEFMUMI-WMLDXEAASA-N 1 1 398.529 -0.025 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000896574289 1073351026 /nfs/dbraw/zinc/35/10/26/1073351026.db2.gz DTFYNJSXEFMUMI-YOEHRIQHSA-N 1 1 398.529 -0.025 20 0 GBADMO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC000896575179 637402880 /nfs/dbraw/zinc/40/28/80/637402880.db2.gz NFQMMFQYKJBWAD-GXSJLCMTSA-N 1 1 388.266 -0.538 20 0 GBADMO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC000896575180 637402928 /nfs/dbraw/zinc/40/29/28/637402928.db2.gz NFQMMFQYKJBWAD-KOLCDFICSA-N 1 1 388.266 -0.538 20 0 GBADMO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC000896575181 637402710 /nfs/dbraw/zinc/40/27/10/637402710.db2.gz NFQMMFQYKJBWAD-MWLCHTKSSA-N 1 1 388.266 -0.538 20 0 GBADMO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC000896575182 637402613 /nfs/dbraw/zinc/40/26/13/637402613.db2.gz NFQMMFQYKJBWAD-ONGXEEELSA-N 1 1 388.266 -0.538 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1OC ZINC000896575897 1073352339 /nfs/dbraw/zinc/35/23/39/1073352339.db2.gz CWPCJIXTADIAMQ-GXTWGEPZSA-N 1 1 384.502 -0.033 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1OC ZINC000896575898 1073352870 /nfs/dbraw/zinc/35/28/70/1073352870.db2.gz CWPCJIXTADIAMQ-JSGCOSHPSA-N 1 1 384.502 -0.033 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1OC ZINC000896575899 1073352781 /nfs/dbraw/zinc/35/27/81/1073352781.db2.gz CWPCJIXTADIAMQ-OCCSQVGLSA-N 1 1 384.502 -0.033 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1OC ZINC000896575900 1073352560 /nfs/dbraw/zinc/35/25/60/1073352560.db2.gz CWPCJIXTADIAMQ-TZMCWYRMSA-N 1 1 384.502 -0.033 20 0 GBADMO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC000896576881 1073352002 /nfs/dbraw/zinc/35/20/02/1073352002.db2.gz KUAOMMNNOUBEES-AEFFLSMTSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896576881 1073351991 /nfs/dbraw/zinc/35/19/91/1073351991.db2.gz KUAOMMNNOUBEES-AEFFLSMTSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC000896576881 1073351964 /nfs/dbraw/zinc/35/19/64/1073351964.db2.gz KUAOMMNNOUBEES-AEFFLSMTSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1CN(C)CC[N@H+]1C ZINC000896576882 1073352756 /nfs/dbraw/zinc/35/27/56/1073352756.db2.gz KUAOMMNNOUBEES-FUHWJXTLSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC000896576882 1073352743 /nfs/dbraw/zinc/35/27/43/1073352743.db2.gz KUAOMMNNOUBEES-FUHWJXTLSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC000896576882 1073352720 /nfs/dbraw/zinc/35/27/20/1073352720.db2.gz KUAOMMNNOUBEES-FUHWJXTLSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1CN(C)CC[N@H+]1C ZINC000896576883 1073352159 /nfs/dbraw/zinc/35/21/59/1073352159.db2.gz KUAOMMNNOUBEES-SJLPKXTDSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC000896576883 1073352150 /nfs/dbraw/zinc/35/21/50/1073352150.db2.gz KUAOMMNNOUBEES-SJLPKXTDSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC000896576883 1073352135 /nfs/dbraw/zinc/35/21/35/1073352135.db2.gz KUAOMMNNOUBEES-SJLPKXTDSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC000896576884 1073352298 /nfs/dbraw/zinc/35/22/98/1073352298.db2.gz KUAOMMNNOUBEES-WMZOPIPTSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896576884 1073352289 /nfs/dbraw/zinc/35/22/89/1073352289.db2.gz KUAOMMNNOUBEES-WMZOPIPTSA-N 1 1 399.495 -0.191 20 0 GBADMO C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC000896576884 1073352267 /nfs/dbraw/zinc/35/22/67/1073352267.db2.gz KUAOMMNNOUBEES-WMZOPIPTSA-N 1 1 399.495 -0.191 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1=O ZINC000896577873 1073352628 /nfs/dbraw/zinc/35/26/28/1073352628.db2.gz TXXZJYRBGRVHBT-PBHICJAKSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1=O ZINC000896577873 1073352620 /nfs/dbraw/zinc/35/26/20/1073352620.db2.gz TXXZJYRBGRVHBT-PBHICJAKSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1=O ZINC000896577873 1073352599 /nfs/dbraw/zinc/35/25/99/1073352599.db2.gz TXXZJYRBGRVHBT-PBHICJAKSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1=O ZINC000896577874 1073352848 /nfs/dbraw/zinc/35/28/48/1073352848.db2.gz TXXZJYRBGRVHBT-RHSMWYFYSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1=O ZINC000896577874 1073352837 /nfs/dbraw/zinc/35/28/37/1073352837.db2.gz TXXZJYRBGRVHBT-RHSMWYFYSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1=O ZINC000896577874 1073352816 /nfs/dbraw/zinc/35/28/16/1073352816.db2.gz TXXZJYRBGRVHBT-RHSMWYFYSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1=O ZINC000896577875 1073351889 /nfs/dbraw/zinc/35/18/89/1073351889.db2.gz TXXZJYRBGRVHBT-WMLDXEAASA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1=O ZINC000896577875 1073351881 /nfs/dbraw/zinc/35/18/81/1073351881.db2.gz TXXZJYRBGRVHBT-WMLDXEAASA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1=O ZINC000896577875 1073351859 /nfs/dbraw/zinc/35/18/59/1073351859.db2.gz TXXZJYRBGRVHBT-WMLDXEAASA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1=O ZINC000896577876 1073352692 /nfs/dbraw/zinc/35/26/92/1073352692.db2.gz TXXZJYRBGRVHBT-YOEHRIQHSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1=O ZINC000896577876 1073352681 /nfs/dbraw/zinc/35/26/81/1073352681.db2.gz TXXZJYRBGRVHBT-YOEHRIQHSA-N 1 1 387.484 -0.066 20 0 GBADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1=O ZINC000896577876 1073352654 /nfs/dbraw/zinc/35/26/54/1073352654.db2.gz TXXZJYRBGRVHBT-YOEHRIQHSA-N 1 1 387.484 -0.066 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000896580662 1073354564 /nfs/dbraw/zinc/35/45/64/1073354564.db2.gz MFYDACRVMUAODC-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000896580662 1073354554 /nfs/dbraw/zinc/35/45/54/1073354554.db2.gz MFYDACRVMUAODC-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1 ZINC000896580662 1073354549 /nfs/dbraw/zinc/35/45/49/1073354549.db2.gz MFYDACRVMUAODC-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896580662 1073354538 /nfs/dbraw/zinc/35/45/38/1073354538.db2.gz MFYDACRVMUAODC-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000896580667 1073354220 /nfs/dbraw/zinc/35/42/20/1073354220.db2.gz MFYDACRVMUAODC-DYVFJYSZSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000896580667 1073354215 /nfs/dbraw/zinc/35/42/15/1073354215.db2.gz MFYDACRVMUAODC-DYVFJYSZSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC000896580667 1073354208 /nfs/dbraw/zinc/35/42/08/1073354208.db2.gz MFYDACRVMUAODC-DYVFJYSZSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896580667 1073354199 /nfs/dbraw/zinc/35/41/99/1073354199.db2.gz MFYDACRVMUAODC-DYVFJYSZSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000896580671 1073354487 /nfs/dbraw/zinc/35/44/87/1073354487.db2.gz MFYDACRVMUAODC-GUYCJALGSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000896580671 1073354476 /nfs/dbraw/zinc/35/44/76/1073354476.db2.gz MFYDACRVMUAODC-GUYCJALGSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC000896580671 1073354468 /nfs/dbraw/zinc/35/44/68/1073354468.db2.gz MFYDACRVMUAODC-GUYCJALGSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896580671 1073354459 /nfs/dbraw/zinc/35/44/59/1073354459.db2.gz MFYDACRVMUAODC-GUYCJALGSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000896580672 1073354613 /nfs/dbraw/zinc/35/46/13/1073354613.db2.gz MFYDACRVMUAODC-SUMWQHHRSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000896580672 1073354607 /nfs/dbraw/zinc/35/46/07/1073354607.db2.gz MFYDACRVMUAODC-SUMWQHHRSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1 ZINC000896580672 1073354602 /nfs/dbraw/zinc/35/46/02/1073354602.db2.gz MFYDACRVMUAODC-SUMWQHHRSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896580672 1073354595 /nfs/dbraw/zinc/35/45/95/1073354595.db2.gz MFYDACRVMUAODC-SUMWQHHRSA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896583085 1073354010 /nfs/dbraw/zinc/35/40/10/1073354010.db2.gz ZOKGMVINGQWQEZ-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896583085 1073353996 /nfs/dbraw/zinc/35/39/96/1073353996.db2.gz ZOKGMVINGQWQEZ-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1 ZINC000896583085 1073353984 /nfs/dbraw/zinc/35/39/84/1073353984.db2.gz ZOKGMVINGQWQEZ-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000896583085 1073353972 /nfs/dbraw/zinc/35/39/72/1073353972.db2.gz ZOKGMVINGQWQEZ-CXAGYDPISA-N 1 1 396.513 -0.082 20 0 GBADMO 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WMICTXURYUTRLO-DOTOQJQBSA-N 1 1 384.521 -0.314 20 0 GBADMO COC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCOC1 ZINC000897420654 1073892639 /nfs/dbraw/zinc/89/26/39/1073892639.db2.gz WMICTXURYUTRLO-NVXWUHKLSA-N 1 1 384.521 -0.314 20 0 GBADMO COC[C@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCOC1 ZINC000897420655 1073892656 /nfs/dbraw/zinc/89/26/56/1073892656.db2.gz WMICTXURYUTRLO-RDJZCZTQSA-N 1 1 384.521 -0.314 20 0 GBADMO COC[C@H](NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCOC1 ZINC000897420656 1073892271 /nfs/dbraw/zinc/89/22/71/1073892271.db2.gz WMICTXURYUTRLO-WBVHZDCISA-N 1 1 384.521 -0.314 20 0 GBADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000897422922 1073893202 /nfs/dbraw/zinc/89/32/02/1073893202.db2.gz JTROSFHPEODUJH-HNNXBMFYSA-N 1 1 376.457 -0.020 20 0 GBADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000897422922 1073893193 /nfs/dbraw/zinc/89/31/93/1073893193.db2.gz JTROSFHPEODUJH-HNNXBMFYSA-N 1 1 376.457 -0.020 20 0 GBADMO 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ZINC000897428977 1073904887 /nfs/dbraw/zinc/90/48/87/1073904887.db2.gz XAPOWOMKMBAJHX-OAHLLOKOSA-N 1 1 381.477 -0.959 20 0 GBADMO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000897433247 1073905326 /nfs/dbraw/zinc/90/53/26/1073905326.db2.gz SRRAJQNSHKYAET-AWEZNQCLSA-N 1 1 379.461 -0.669 20 0 GBADMO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000897433248 1073905965 /nfs/dbraw/zinc/90/59/65/1073905965.db2.gz SRRAJQNSHKYAET-CQSZACIVSA-N 1 1 379.461 -0.669 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H](c3nccs3)C2)CC1 ZINC000897444791 1073931483 /nfs/dbraw/zinc/93/14/83/1073931483.db2.gz RMTSNACFBHTQDT-CYBMUJFWSA-N 1 1 379.486 -0.261 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC1 ZINC000897444792 1073932823 /nfs/dbraw/zinc/93/28/23/1073932823.db2.gz RMTSNACFBHTQDT-ZDUSSCGKSA-N 1 1 379.486 -0.261 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(Cl)n1 ZINC000897445013 1073932196 /nfs/dbraw/zinc/93/21/96/1073932196.db2.gz YQQHEZSZSZKHSU-UHFFFAOYSA-N 1 1 381.864 -0.060 20 0 GBADMO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000897452132 1073932313 /nfs/dbraw/zinc/93/23/13/1073932313.db2.gz UYIZSCFQAKFBGI-CYBMUJFWSA-N 1 1 379.465 -1.000 20 0 GBADMO C[C@H]1CC[N@@H+](CCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000897452137 1073932267 /nfs/dbraw/zinc/93/22/67/1073932267.db2.gz UYIZSCFQAKFBGI-ZDUSSCGKSA-N 1 1 379.465 -1.000 20 0 GBADMO C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897455360 1073932504 /nfs/dbraw/zinc/93/25/04/1073932504.db2.gz NXRQBTBXBUFVHK-DLBZAZTESA-N 1 1 392.504 -0.699 20 0 GBADMO C[C@@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897455360 1073932500 /nfs/dbraw/zinc/93/25/00/1073932500.db2.gz NXRQBTBXBUFVHK-DLBZAZTESA-N 1 1 392.504 -0.699 20 0 GBADMO C[C@H](Cn1cccn1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897455361 1073932845 /nfs/dbraw/zinc/93/28/45/1073932845.db2.gz NXRQBTBXBUFVHK-IAGOWNOFSA-N 1 1 392.504 -0.699 20 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CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000897462099 1073934524 /nfs/dbraw/zinc/93/45/24/1073934524.db2.gz GAFBHXDRUYPJGU-UHFFFAOYSA-N 1 1 382.486 -0.237 20 0 GBADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000897462099 1073934520 /nfs/dbraw/zinc/93/45/20/1073934520.db2.gz GAFBHXDRUYPJGU-UHFFFAOYSA-N 1 1 382.486 -0.237 20 0 GBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000897463009 1073934506 /nfs/dbraw/zinc/93/45/06/1073934506.db2.gz AEDFMVOBHHAAEW-KRWDZBQOSA-N 1 1 393.532 -0.353 20 0 GBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000897463010 1073935098 /nfs/dbraw/zinc/93/50/98/1073935098.db2.gz AEDFMVOBHHAAEW-QGZVFWFLSA-N 1 1 393.532 -0.353 20 0 GBADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000897463568 1073934872 /nfs/dbraw/zinc/93/48/72/1073934872.db2.gz HGDIZSIEFIQHML-INIZCTEOSA-N 1 1 379.505 -0.743 20 0 GBADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000897463569 1073935029 /nfs/dbraw/zinc/93/50/29/1073935029.db2.gz HGDIZSIEFIQHML-MRXNPFEDSA-N 1 1 379.505 -0.743 20 0 GBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)CC1 ZINC000897464472 1073934549 /nfs/dbraw/zinc/93/45/49/1073934549.db2.gz OQQVLXSAKGKGNT-DLBZAZTESA-N 1 1 393.532 -0.258 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000897470631 1073942045 /nfs/dbraw/zinc/94/20/45/1073942045.db2.gz ACHUGVBKEMWPDD-GOSISDBHSA-N 1 1 389.500 -0.081 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000897470631 1073942036 /nfs/dbraw/zinc/94/20/36/1073942036.db2.gz ACHUGVBKEMWPDD-GOSISDBHSA-N 1 1 389.500 -0.081 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000897470632 1073942027 /nfs/dbraw/zinc/94/20/27/1073942027.db2.gz ACHUGVBKEMWPDD-SFHVURJKSA-N 1 1 389.500 -0.081 20 0 GBADMO Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000897470632 1073942022 /nfs/dbraw/zinc/94/20/22/1073942022.db2.gz ACHUGVBKEMWPDD-SFHVURJKSA-N 1 1 389.500 -0.081 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C(C)(C)C2)CC1 ZINC000897470833 1073942094 /nfs/dbraw/zinc/94/20/94/1073942094.db2.gz DEJRUDAMGGIENP-UHFFFAOYSA-N 1 1 381.521 -0.354 20 0 GBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000897471242 1073942861 /nfs/dbraw/zinc/94/28/61/1073942861.db2.gz KRMXWXMAESNCGN-OKILXGFUSA-N 1 1 382.530 -0.085 20 0 GBADMO Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000897471507 1073943203 /nfs/dbraw/zinc/94/32/03/1073943203.db2.gz ORWYPFRYURGGHS-GOSISDBHSA-N 1 1 389.500 -0.081 20 0 GBADMO Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000897471507 1073943183 /nfs/dbraw/zinc/94/31/83/1073943183.db2.gz ORWYPFRYURGGHS-GOSISDBHSA-N 1 1 389.500 -0.081 20 0 GBADMO Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000897471508 1073942617 /nfs/dbraw/zinc/94/26/17/1073942617.db2.gz ORWYPFRYURGGHS-SFHVURJKSA-N 1 1 389.500 -0.081 20 0 GBADMO Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000897471508 1073942609 /nfs/dbraw/zinc/94/26/09/1073942609.db2.gz ORWYPFRYURGGHS-SFHVURJKSA-N 1 1 389.500 -0.081 20 0 GBADMO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000897474270 1073945336 /nfs/dbraw/zinc/94/53/36/1073945336.db2.gz PAGMMPZCCQMTDA-HNNXBMFYSA-N 1 1 381.477 -0.817 20 0 GBADMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000897474271 1073945403 /nfs/dbraw/zinc/94/54/03/1073945403.db2.gz PAGMMPZCCQMTDA-OAHLLOKOSA-N 1 1 381.477 -0.817 20 0 GBADMO Cn1cccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897474827 1073946462 /nfs/dbraw/zinc/94/64/62/1073946462.db2.gz CFVUQPKFGUHJNX-INIZCTEOSA-N 1 1 377.489 -0.446 20 0 GBADMO Cn1cccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897474827 1073946457 /nfs/dbraw/zinc/94/64/57/1073946457.db2.gz CFVUQPKFGUHJNX-INIZCTEOSA-N 1 1 377.489 -0.446 20 0 GBADMO Cn1cccc1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 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GHDVHYOFJZSEKJ-QGZVFWFLSA-N 1 1 382.505 -0.558 20 0 GBADMO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000897476741 1073947257 /nfs/dbraw/zinc/94/72/57/1073947257.db2.gz WTVXXVBWNUYFRW-HNNXBMFYSA-N 1 1 389.522 -0.625 20 0 GBADMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000897476742 1073947518 /nfs/dbraw/zinc/94/75/18/1073947518.db2.gz WTVXXVBWNUYFRW-OAHLLOKOSA-N 1 1 389.522 -0.625 20 0 GBADMO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000897480271 1073950444 /nfs/dbraw/zinc/95/04/44/1073950444.db2.gz VOWXKOFMCXITIE-AWEZNQCLSA-N 1 1 379.461 -0.527 20 0 GBADMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000897480272 1073950483 /nfs/dbraw/zinc/95/04/83/1073950483.db2.gz VOWXKOFMCXITIE-CQSZACIVSA-N 1 1 379.461 -0.527 20 0 GBADMO C[N@H+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1(C)C ZINC000897674125 637426512 /nfs/dbraw/zinc/42/65/12/637426512.db2.gz OCSCHOPCRXYRBO-UHFFFAOYSA-N 1 1 392.547 -0.966 20 0 GBADMO C[N@@H+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1(C)C ZINC000897674125 637426503 /nfs/dbraw/zinc/42/65/03/637426503.db2.gz OCSCHOPCRXYRBO-UHFFFAOYSA-N 1 1 392.547 -0.966 20 0 GBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2c[nH]nc2I)CC1 ZINC000897834977 637426432 /nfs/dbraw/zinc/42/64/32/637426432.db2.gz RMVULASPZJZMHW-UHFFFAOYSA-N 1 1 391.213 -0.092 20 0 GBADMO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000897908417 637426669 /nfs/dbraw/zinc/42/66/69/637426669.db2.gz JJEWHZBLMXQUGV-AWEZNQCLSA-N 1 1 378.520 -0.411 20 0 GBADMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000897909562 637426481 /nfs/dbraw/zinc/42/64/81/637426481.db2.gz WXLSHFBNDIZZME-GFCCVEGCSA-N 1 1 380.536 -0.024 20 0 GBADMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000897909562 637426470 /nfs/dbraw/zinc/42/64/70/637426470.db2.gz WXLSHFBNDIZZME-GFCCVEGCSA-N 1 1 380.536 -0.024 20 0 GBADMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000897909563 637426779 /nfs/dbraw/zinc/42/67/79/637426779.db2.gz WXLSHFBNDIZZME-LBPRGKRZSA-N 1 1 380.536 -0.024 20 0 GBADMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000897909563 637426745 /nfs/dbraw/zinc/42/67/45/637426745.db2.gz WXLSHFBNDIZZME-LBPRGKRZSA-N 1 1 380.536 -0.024 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCCC2)CC[N@@H+](C)C1 ZINC000897945154 637427774 /nfs/dbraw/zinc/42/77/74/637427774.db2.gz VJNPVICQXVOZGP-CYBMUJFWSA-N 1 1 376.479 -0.842 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCCC2)CC[N@@H+](C)C1 ZINC000897945155 637427392 /nfs/dbraw/zinc/42/73/92/637427392.db2.gz VJNPVICQXVOZGP-ZDUSSCGKSA-N 1 1 376.479 -0.842 20 0 GBADMO CN(CCCN(C)C(=O)NCCS(=O)(=O)N1CCCC1)CC[NH+](C)C ZINC000897947878 637427627 /nfs/dbraw/zinc/42/76/27/637427627.db2.gz GCPBGPBXGNFVAJ-UHFFFAOYSA-N 1 1 377.555 -0.063 20 0 GBADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897947878 637427624 /nfs/dbraw/zinc/42/76/24/637427624.db2.gz GCPBGPBXGNFVAJ-UHFFFAOYSA-N 1 1 377.555 -0.063 20 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/nfs/dbraw/zinc/42/72/39/637427239.db2.gz UHEBMYCSDCSCQI-OAHLLOKOSA-N 1 1 375.539 -0.263 20 0 GBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897951938 637427314 /nfs/dbraw/zinc/42/73/14/637427314.db2.gz CLJDMOLWXNODMR-UHFFFAOYSA-N 1 1 375.539 -0.309 20 0 GBADMO C[N@@H+](CCCO)C1CCN(C(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000897960698 637427737 /nfs/dbraw/zinc/42/77/37/637427737.db2.gz ZCDXDWOMHLVTSV-UHFFFAOYSA-N 1 1 376.523 -0.100 20 0 GBADMO Cn1cc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c(=O)n(C)c1=O ZINC000897978809 637427474 /nfs/dbraw/zinc/42/74/74/637427474.db2.gz SQRBNHKQXSWXRB-LLVKDONJSA-N 1 1 394.229 -0.106 20 0 GBADMO Cn1cc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c(=O)n(C)c1=O ZINC000897978810 637427435 /nfs/dbraw/zinc/42/74/35/637427435.db2.gz SQRBNHKQXSWXRB-NSHDSACASA-N 1 1 394.229 -0.106 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000898249909 637428421 /nfs/dbraw/zinc/42/84/21/637428421.db2.gz GGUIEJFSFHVPJS-AWEZNQCLSA-N 1 1 377.507 -0.536 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)c2c(Br)nnn2C)C1 ZINC000898251273 637428593 /nfs/dbraw/zinc/42/85/93/637428593.db2.gz RSOBMIMLTNEKHP-UHFFFAOYSA-N 1 1 376.255 -0.003 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000898254522 637428506 /nfs/dbraw/zinc/42/85/06/637428506.db2.gz LFOGOTIRVOMJFR-UHFFFAOYSA-N 1 1 377.507 -0.536 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000898254858 637428729 /nfs/dbraw/zinc/42/87/29/637428729.db2.gz QNFIWXZUNJOFGK-HNNXBMFYSA-N 1 1 377.507 -0.394 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000898254859 637428474 /nfs/dbraw/zinc/42/84/74/637428474.db2.gz QNFIWXZUNJOFGK-OAHLLOKOSA-N 1 1 377.507 -0.394 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000898255153 637428217 /nfs/dbraw/zinc/42/82/17/637428217.db2.gz MTEBEMRKYRHDKW-AWEZNQCLSA-N 1 1 379.523 -0.244 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000898255158 637428616 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CNS(=O)(=O)N1CCC(C(=O)NC(C)(C)CC[NH+]2CCOCC2)CC1 ZINC000912950520 637473985 /nfs/dbraw/zinc/47/39/85/637473985.db2.gz OKLXHKLOUMXROW-UHFFFAOYSA-N 1 1 376.523 -0.220 20 0 GBADMO CC(C)OCCS(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912950944 637473688 /nfs/dbraw/zinc/47/36/88/637473688.db2.gz CEZIRGCGQIPKEO-UHFFFAOYSA-N 1 1 379.523 -0.052 20 0 GBADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000912951719 637473879 /nfs/dbraw/zinc/47/38/79/637473879.db2.gz YCRAGQGFFCCIJZ-UHFFFAOYSA-N 1 1 376.523 -0.819 20 0 GBADMO O=C(Cn1nc(Br)c(Br)n1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170908 637475205 /nfs/dbraw/zinc/47/52/05/637475205.db2.gz BYKFRLNEMJQBCP-SSDOTTSWSA-N 1 1 397.071 -0.014 20 0 GBADMO Cc1[nH]nc(I)c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913179049 637476358 /nfs/dbraw/zinc/47/63/58/637476358.db2.gz MVDKWXICYCCLPN-LLVKDONJSA-N 1 1 380.186 -0.597 20 0 GBADMO Cc1[nH]nc(I)c1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913179050 637476396 /nfs/dbraw/zinc/47/63/96/637476396.db2.gz MVDKWXICYCCLPN-NSHDSACASA-N 1 1 380.186 -0.597 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1csc(I)n1 ZINC000913181195 637475356 /nfs/dbraw/zinc/47/53/56/637475356.db2.gz HIUIMBWAVWIDNS-JTQLQIEISA-N 1 1 383.211 -0.172 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1csc(I)n1 ZINC000913181198 637475259 /nfs/dbraw/zinc/47/52/59/637475259.db2.gz HIUIMBWAVWIDNS-SNVBAGLBSA-N 1 1 383.211 -0.172 20 0 GBADMO Cn1ncc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1I ZINC000913181711 637476110 /nfs/dbraw/zinc/47/61/10/637476110.db2.gz PLBKYRTWGKFWRQ-LLVKDONJSA-N 1 1 380.186 -0.895 20 0 GBADMO Cn1ncc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1I ZINC000913181712 637476271 /nfs/dbraw/zinc/47/62/71/637476271.db2.gz PLBKYRTWGKFWRQ-NSHDSACASA-N 1 1 380.186 -0.895 20 0 GBADMO Cn1ncc(I)c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182159 637475786 /nfs/dbraw/zinc/47/57/86/637475786.db2.gz UTBROGUCLNFMDC-LLVKDONJSA-N 1 1 380.186 -0.895 20 0 GBADMO Cn1ncc(I)c1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182160 637476210 /nfs/dbraw/zinc/47/62/10/637476210.db2.gz UTBROGUCLNFMDC-NSHDSACASA-N 1 1 380.186 -0.895 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cncc(I)c1 ZINC000913182438 637475767 /nfs/dbraw/zinc/47/57/67/637475767.db2.gz HISISIFQSCMDLI-GFCCVEGCSA-N 1 1 377.182 -0.233 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cncc(I)c1 ZINC000913182439 637476239 /nfs/dbraw/zinc/47/62/39/637476239.db2.gz HISISIFQSCMDLI-LBPRGKRZSA-N 1 1 377.182 -0.233 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1nscc1I ZINC000913183040 637475954 /nfs/dbraw/zinc/47/59/54/637475954.db2.gz DLKDLIPMOMJQHE-JTQLQIEISA-N 1 1 383.211 -0.172 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1nscc1I ZINC000913183041 637476157 /nfs/dbraw/zinc/47/61/57/637476157.db2.gz DLKDLIPMOMJQHE-SNVBAGLBSA-N 1 1 383.211 -0.172 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(I)cn1 ZINC000913184362 637476074 /nfs/dbraw/zinc/47/60/74/637476074.db2.gz PLYYMACOMVZOSP-GFCCVEGCSA-N 1 1 377.182 -0.233 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(I)cn1 ZINC000913184363 637476284 /nfs/dbraw/zinc/47/62/84/637476284.db2.gz PLYYMACOMVZOSP-LBPRGKRZSA-N 1 1 377.182 -0.233 20 0 GBADMO O=C(CNC(=O)c1ccc(Br)s1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913185758 637476091 /nfs/dbraw/zinc/47/60/91/637476091.db2.gz QCXUDTOMEXWXRZ-CYBMUJFWSA-N 1 1 392.275 -0.293 20 0 GBADMO O=C(CNC(=O)c1ccc(Br)s1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913185759 637476254 /nfs/dbraw/zinc/47/62/54/637476254.db2.gz QCXUDTOMEXWXRZ-ZDUSSCGKSA-N 1 1 392.275 -0.293 20 0 GBADMO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913195146 637476138 /nfs/dbraw/zinc/47/61/38/637476138.db2.gz CWWASHJRBOIRCA-HNNXBMFYSA-N 1 1 386.246 -0.354 20 0 GBADMO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913195149 637476026 /nfs/dbraw/zinc/47/60/26/637476026.db2.gz CWWASHJRBOIRCA-OAHLLOKOSA-N 1 1 386.246 -0.354 20 0 GBADMO Cn1nc(I)cc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913195660 637475931 /nfs/dbraw/zinc/47/59/31/637475931.db2.gz ISCRVWNSKFIBHQ-LLVKDONJSA-N 1 1 380.186 -0.895 20 0 GBADMO Cn1nc(I)cc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913195662 637476386 /nfs/dbraw/zinc/47/63/86/637476386.db2.gz ISCRVWNSKFIBHQ-NSHDSACASA-N 1 1 380.186 -0.895 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000913196200 637476225 /nfs/dbraw/zinc/47/62/25/637476225.db2.gz KYLSDPHGQDLEHA-BBRMVZONSA-N 1 1 399.241 -0.002 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000913196201 637475904 /nfs/dbraw/zinc/47/59/04/637475904.db2.gz KYLSDPHGQDLEHA-CJNGLKHVSA-N 1 1 399.241 -0.002 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000913196202 637476048 /nfs/dbraw/zinc/47/60/48/637476048.db2.gz KYLSDPHGQDLEHA-CZUORRHYSA-N 1 1 399.241 -0.002 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000913196203 637476368 /nfs/dbraw/zinc/47/63/68/637476368.db2.gz KYLSDPHGQDLEHA-XJKSGUPXSA-N 1 1 399.241 -0.002 20 0 GBADMO Cn1cc(I)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC000913196704 637475857 /nfs/dbraw/zinc/47/58/57/637475857.db2.gz RCSBRXZPVZGYOZ-LLVKDONJSA-N 1 1 380.186 -0.895 20 0 GBADMO Cn1cc(I)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC000913196705 637476182 /nfs/dbraw/zinc/47/61/82/637476182.db2.gz RCSBRXZPVZGYOZ-NSHDSACASA-N 1 1 380.186 -0.895 20 0 GBADMO O=C(CNC(=O)c1cccc(Br)c1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913196857 637475882 /nfs/dbraw/zinc/47/58/82/637475882.db2.gz RFSXODKOOMJHQC-HNNXBMFYSA-N 1 1 386.246 -0.354 20 0 GBADMO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913196858 637476301 /nfs/dbraw/zinc/47/63/01/637476301.db2.gz RFSXODKOOMJHQC-OAHLLOKOSA-N 1 1 386.246 -0.354 20 0 GBADMO Cn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(I)n1 ZINC000913197283 637476337 /nfs/dbraw/zinc/47/63/37/637476337.db2.gz XMDIJXFJOJNRBZ-LLVKDONJSA-N 1 1 380.186 -0.895 20 0 GBADMO Cn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(I)n1 ZINC000913197284 637476327 /nfs/dbraw/zinc/47/63/27/637476327.db2.gz XMDIJXFJOJNRBZ-NSHDSACASA-N 1 1 380.186 -0.895 20 0 GBADMO CC(C)N1CC[NH+](CCCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000913335249 637477602 /nfs/dbraw/zinc/47/76/02/637477602.db2.gz PDLWAOFLCHJGER-UHFFFAOYSA-N 1 1 375.539 -0.601 20 0 GBADMO CC(C)N1CC[NH+](CCC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000913335259 637477745 /nfs/dbraw/zinc/47/77/45/637477745.db2.gz PIQMDSFJDIDRFE-HNNXBMFYSA-N 1 1 376.523 -0.821 20 0 GBADMO CC(C)N1CC[NH+](CCC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC000913335260 637477829 /nfs/dbraw/zinc/47/78/29/637477829.db2.gz PIQMDSFJDIDRFE-OAHLLOKOSA-N 1 1 376.523 -0.821 20 0 GBADMO O=C(Cn1nc(Br)c(Br)n1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351297 637477847 /nfs/dbraw/zinc/47/78/47/637477847.db2.gz BYKFRLNEMJQBCP-ZETCQYMHSA-N 1 1 397.071 -0.014 20 0 GBADMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c2=O ZINC000913551526 637477819 /nfs/dbraw/zinc/47/78/19/637477819.db2.gz SOTWHESEXVIMFU-SECBINFHSA-N 1 1 399.249 -0.973 20 0 GBADMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)c2=O ZINC000913551526 637477815 /nfs/dbraw/zinc/47/78/15/637477815.db2.gz SOTWHESEXVIMFU-SECBINFHSA-N 1 1 399.249 -0.973 20 0 GBADMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)c2=O ZINC000913551527 637477755 /nfs/dbraw/zinc/47/77/55/637477755.db2.gz SOTWHESEXVIMFU-VIFPVBQESA-N 1 1 399.249 -0.973 20 0 GBADMO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@H+](C)[C@H](CO)C1)c2=O ZINC000913551527 637477752 /nfs/dbraw/zinc/47/77/52/637477752.db2.gz SOTWHESEXVIMFU-VIFPVBQESA-N 1 1 399.249 -0.973 20 0 GBADMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1CO ZINC000913554898 637498116 /nfs/dbraw/zinc/49/81/16/637498116.db2.gz PDUCHIVLLLTRLS-LLVKDONJSA-N 1 1 377.413 -0.232 20 0 GBADMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1CO ZINC000913554898 637498113 /nfs/dbraw/zinc/49/81/13/637498113.db2.gz PDUCHIVLLLTRLS-LLVKDONJSA-N 1 1 377.413 -0.232 20 0 GBADMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1CO ZINC000913554899 637498013 /nfs/dbraw/zinc/49/80/13/637498013.db2.gz PDUCHIVLLLTRLS-NSHDSACASA-N 1 1 377.413 -0.232 20 0 GBADMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1CO ZINC000913554899 637498011 /nfs/dbraw/zinc/49/80/11/637498011.db2.gz PDUCHIVLLLTRLS-NSHDSACASA-N 1 1 377.413 -0.232 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c[nH]nc1I ZINC000913684323 637502679 /nfs/dbraw/zinc/50/26/79/637502679.db2.gz PTELEDNRSYZVSA-UHFFFAOYSA-N 1 1 391.213 -0.140 20 0 GBADMO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000913862410 637503328 /nfs/dbraw/zinc/50/33/28/637503328.db2.gz LKZWCOZYXNIWCG-HOTGVXAUSA-N 1 1 391.559 -0.393 20 0 GBADMO C[NH+]1CCN([C@H](CNC(=O)N2CC(S(N)(=O)=O)C2)c2cccs2)CC1 ZINC000913889625 637504194 /nfs/dbraw/zinc/50/41/94/637504194.db2.gz BTAWZICSMKXOIU-CYBMUJFWSA-N 1 1 387.531 -0.281 20 0 GBADMO C[NH+]1CCN([C@@H](CNC(=O)N2CC(S(N)(=O)=O)C2)c2cccs2)CC1 ZINC000913889626 637504080 /nfs/dbraw/zinc/50/40/80/637504080.db2.gz BTAWZICSMKXOIU-ZDUSSCGKSA-N 1 1 387.531 -0.281 20 0 GBADMO CO[C@@]1(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCS(=O)(=O)C1 ZINC000913920294 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CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000920008884 637552383 /nfs/dbraw/zinc/55/23/83/637552383.db2.gz IFPIUWYCEPBQKG-ZIAGYGMSSA-N 1 1 377.511 -0.771 20 0 GBADMO CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000920008884 637552378 /nfs/dbraw/zinc/55/23/78/637552378.db2.gz IFPIUWYCEPBQKG-ZIAGYGMSSA-N 1 1 377.511 -0.771 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000920011128 637552201 /nfs/dbraw/zinc/55/22/01/637552201.db2.gz SIYZMFUGYIQUKT-DOMZBBRYSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000920011128 637552199 /nfs/dbraw/zinc/55/21/99/637552199.db2.gz SIYZMFUGYIQUKT-DOMZBBRYSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000920011129 637552428 /nfs/dbraw/zinc/55/24/28/637552428.db2.gz SIYZMFUGYIQUKT-IUODEOHRSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000920011129 637552424 /nfs/dbraw/zinc/55/24/24/637552424.db2.gz SIYZMFUGYIQUKT-IUODEOHRSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000920011130 637552460 /nfs/dbraw/zinc/55/24/60/637552460.db2.gz SIYZMFUGYIQUKT-SWLSCSKDSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000920011130 637552453 /nfs/dbraw/zinc/55/24/53/637552453.db2.gz SIYZMFUGYIQUKT-SWLSCSKDSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000920011131 637552172 /nfs/dbraw/zinc/55/21/72/637552172.db2.gz SIYZMFUGYIQUKT-WFASDCNBSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000920011131 637552169 /nfs/dbraw/zinc/55/21/69/637552169.db2.gz SIYZMFUGYIQUKT-WFASDCNBSA-N 1 1 390.531 -0.493 20 0 GBADMO 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CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC000920017988 637552485 /nfs/dbraw/zinc/55/24/85/637552485.db2.gz DMGSWIVBRPJCSX-RRFJBIMHSA-N 1 1 376.523 -0.270 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000920017989 637552137 /nfs/dbraw/zinc/55/21/37/637552137.db2.gz DMGSWIVBRPJCSX-ZNMIVQPWSA-N 1 1 376.523 -0.270 20 0 GBADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000920017989 637552134 /nfs/dbraw/zinc/55/21/34/637552134.db2.gz DMGSWIVBRPJCSX-ZNMIVQPWSA-N 1 1 376.523 -0.270 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000920018944 637552099 /nfs/dbraw/zinc/55/20/99/637552099.db2.gz IJXZLPQSRCTJRJ-DOMZBBRYSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000920018944 637552097 /nfs/dbraw/zinc/55/20/97/637552097.db2.gz IJXZLPQSRCTJRJ-DOMZBBRYSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000920018948 637552292 /nfs/dbraw/zinc/55/22/92/637552292.db2.gz IJXZLPQSRCTJRJ-IUODEOHRSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000920018948 637552287 /nfs/dbraw/zinc/55/22/87/637552287.db2.gz IJXZLPQSRCTJRJ-IUODEOHRSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000920018951 637552319 /nfs/dbraw/zinc/55/23/19/637552319.db2.gz IJXZLPQSRCTJRJ-SWLSCSKDSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000920018951 637552314 /nfs/dbraw/zinc/55/23/14/637552314.db2.gz IJXZLPQSRCTJRJ-SWLSCSKDSA-N 1 1 390.531 -0.493 20 0 GBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000920018953 637552179 /nfs/dbraw/zinc/55/21/79/637552179.db2.gz IJXZLPQSRCTJRJ-WFASDCNBSA-N 1 1 390.531 -0.493 20 0 GBADMO 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1072237631 /nfs/dbraw/zinc/23/76/31/1072237631.db2.gz OZHJJQUCIBAEBT-BQDHKBFISA-N 1 1 380.420 -0.830 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)Cc3ncccc3F)[C@@H](O)C2)O1 ZINC000969972705 1072237624 /nfs/dbraw/zinc/23/76/24/1072237624.db2.gz OZHJJQUCIBAEBT-BQDHKBFISA-N 1 1 380.420 -0.830 20 0 GBADMO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O ZINC000969973186 1072237418 /nfs/dbraw/zinc/23/74/18/1072237418.db2.gz RZCFPOJZKVYBDI-BHTHQVBYSA-N 1 1 385.424 -0.153 20 0 GBADMO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1O ZINC000969973624 1072237406 /nfs/dbraw/zinc/23/74/06/1072237406.db2.gz ZFWLVXASQWEDSF-JJAZEVLHSA-N 1 1 392.456 -0.960 20 0 GBADMO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1O ZINC000969973624 1072237402 /nfs/dbraw/zinc/23/74/02/1072237402.db2.gz ZFWLVXASQWEDSF-JJAZEVLHSA-N 1 1 392.456 -0.960 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3nc4ncccn4n3)[C@@H](O)C2)CC[N@H+]1C ZINC000969977740 1072238509 /nfs/dbraw/zinc/23/85/09/1072238509.db2.gz ASEVVHWXAYSIHW-DGAVXFQQSA-N 1 1 387.444 -0.844 20 0 GBADMO CC(=O)Nc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2O)ccn1 ZINC000969978844 1072237504 /nfs/dbraw/zinc/23/75/04/1072237504.db2.gz LIETXBQMNRSKPO-MPESAESLSA-N 1 1 389.456 -0.318 20 0 GBADMO C[N@H+]1C[C@H](C(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000969999445 1072239273 /nfs/dbraw/zinc/23/92/73/1072239273.db2.gz MTYNNMAHWUJIHG-WTTBNOFXSA-N 1 1 385.424 -0.284 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1C ZINC000970002055 1072239444 /nfs/dbraw/zinc/23/94/44/1072239444.db2.gz UTZYXLSAUGDYAK-VJQRDGCPSA-N 1 1 378.473 -0.439 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1C ZINC000970002639 1072239360 /nfs/dbraw/zinc/23/93/60/1072239360.db2.gz XZIDMENSGURULP-QROFKTNTSA-N 1 1 392.500 -0.049 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)O1 ZINC000970014821 1072240252 /nfs/dbraw/zinc/24/02/52/1072240252.db2.gz LZZQYZJHXISVSU-RGGMIXCSSA-N 1 1 392.500 -0.191 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)O1 ZINC000970014821 1072240249 /nfs/dbraw/zinc/24/02/49/1072240249.db2.gz LZZQYZJHXISVSU-RGGMIXCSSA-N 1 1 392.500 -0.191 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(=O)N(C)C)O1 ZINC000970015277 1072240468 /nfs/dbraw/zinc/24/04/68/1072240468.db2.gz OIDWKKFZWKWNQS-RGGMIXCSSA-N 1 1 392.500 -0.368 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(=O)N(C)C)O1 ZINC000970015277 1072240458 /nfs/dbraw/zinc/24/04/58/1072240458.db2.gz OIDWKKFZWKWNQS-RGGMIXCSSA-N 1 1 392.500 -0.368 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc4ncccn4n3)[C@@H](O)C2)CC[N@H+]1C ZINC000970019798 1072241144 /nfs/dbraw/zinc/24/11/44/1072241144.db2.gz KIDLXURKKGXFNY-XZDPQHSOSA-N 1 1 386.456 -0.239 20 0 GBADMO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O)c1cc2ncccn2n1 ZINC000970020443 1072240832 /nfs/dbraw/zinc/24/08/32/1072240832.db2.gz VIQSWOUTWNSBGZ-FKGLVLAHSA-N 1 1 381.396 -0.442 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cccc4[nH]cnc43)[C@@H](O)C2)O1 ZINC000970040761 1072242938 /nfs/dbraw/zinc/24/29/38/1072242938.db2.gz MHDJXVCAPKVUNY-BQDHKBFISA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cccc4[nH]cnc43)[C@@H](O)C2)O1 ZINC000970040761 1072242930 /nfs/dbraw/zinc/24/29/30/1072242930.db2.gz MHDJXVCAPKVUNY-BQDHKBFISA-N 1 1 387.440 -0.417 20 0 GBADMO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2O)c1C ZINC000970047775 1072243383 /nfs/dbraw/zinc/24/33/83/1072243383.db2.gz DFFAPQNQBYOMOB-BQDHKBFISA-N 1 1 379.461 -0.768 20 0 GBADMO CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2O)c1C ZINC000970047775 1072243372 /nfs/dbraw/zinc/24/33/72/1072243372.db2.gz DFFAPQNQBYOMOB-BQDHKBFISA-N 1 1 379.461 -0.768 20 0 GBADMO CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2O)CC1 ZINC000970074003 1072245278 /nfs/dbraw/zinc/24/52/78/1072245278.db2.gz AWSKXRNULZHSJV-SRABZTEZSA-N 1 1 375.473 -0.067 20 0 GBADMO CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2O)c(C)n1 ZINC000970074013 1072245294 /nfs/dbraw/zinc/24/52/94/1072245294.db2.gz AXZRFLDDMACWKV-VDNDLQMASA-N 1 1 393.488 -0.378 20 0 GBADMO CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2O)c(C)n1 ZINC000970074013 1072245288 /nfs/dbraw/zinc/24/52/88/1072245288.db2.gz AXZRFLDDMACWKV-VDNDLQMASA-N 1 1 393.488 -0.378 20 0 GBADMO CCCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2O)c1C ZINC000970075526 1072245604 /nfs/dbraw/zinc/24/56/04/1072245604.db2.gz NJTPQCXPOZJAHI-VDNDLQMASA-N 1 1 393.488 -0.378 20 0 GBADMO CCCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2O)c1C ZINC000970075526 1072245594 /nfs/dbraw/zinc/24/55/94/1072245594.db2.gz NJTPQCXPOZJAHI-VDNDLQMASA-N 1 1 393.488 -0.378 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cnc4c(cnn4C)c3)[C@@H](O)C2)CC[N@H+]1C ZINC000970097529 1072248324 /nfs/dbraw/zinc/24/83/24/1072248324.db2.gz SHFFOTPYMGBWPM-MPESAESLSA-N 1 1 386.456 -0.390 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn(C(F)F)c3)[C@@H](O)C2)O1 ZINC000970104535 1072250102 /nfs/dbraw/zinc/25/01/02/1072250102.db2.gz GTNZLVHGZGVJKE-FOUMNBMASA-N 1 1 387.387 -0.701 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn(C(F)F)c3)[C@@H](O)C2)O1 ZINC000970104535 1072250094 /nfs/dbraw/zinc/25/00/94/1072250094.db2.gz GTNZLVHGZGVJKE-FOUMNBMASA-N 1 1 387.387 -0.701 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC000970105456 1072250705 /nfs/dbraw/zinc/25/07/05/1072250705.db2.gz XRPIDOUNHXUPSG-MYPMTAMASA-N 1 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C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3cnn[nH]3)C2)CC[N@@H+]1C ZINC000982329163 1073731340 /nfs/dbraw/zinc/73/13/40/1073731340.db2.gz FXUXYOSMMNPKLJ-OEYIWLLWSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3cn[nH]n3)C2)CC[N@H+]1C ZINC000982329163 1073731332 /nfs/dbraw/zinc/73/13/32/1073731332.db2.gz FXUXYOSMMNPKLJ-OEYIWLLWSA-N 1 1 386.460 -0.397 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)C(N)=O)C2)CC[N@H+]1C ZINC000982329734 1073731028 /nfs/dbraw/zinc/73/10/28/1073731028.db2.gz KBVPULWOSOMVHM-BYNSBNAKSA-N 1 1 376.461 -0.954 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3cnon3)C2)CC[N@H+]1C ZINC000982329751 1073731195 /nfs/dbraw/zinc/73/11/95/1073731195.db2.gz KVTPUFZOJNYONC-OEYIWLLWSA-N 1 1 387.444 -0.132 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3nc[nH]n3)C2)CC[N@H+]1C ZINC000982329956 1073732159 /nfs/dbraw/zinc/73/21/59/1073732159.db2.gz NENBUFOWPRLPHE-REBRKWNGSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3nc[nH]n3)C2)CC[N@@H+]1C ZINC000982329956 1073732157 /nfs/dbraw/zinc/73/21/57/1073732157.db2.gz NENBUFOWPRLPHE-REBRKWNGSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3ncn[nH]3)C2)CC[N@H+]1C ZINC000982329956 1073732153 /nfs/dbraw/zinc/73/21/53/1073732153.db2.gz NENBUFOWPRLPHE-REBRKWNGSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3ncn[nH]3)C2)CC[N@@H+]1C ZINC000982329956 1073732150 /nfs/dbraw/zinc/73/21/50/1073732150.db2.gz NENBUFOWPRLPHE-REBRKWNGSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)c3nnc[nH]3)C2)CC[N@H+]1C ZINC000982329956 1073732147 /nfs/dbraw/zinc/73/21/47/1073732147.db2.gz NENBUFOWPRLPHE-REBRKWNGSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)C3CC3)C2)O1 ZINC000982348594 1073746276 /nfs/dbraw/zinc/74/62/76/1073746276.db2.gz NMMAPAMBKXKDDG-VJUNAUMWSA-N 1 1 375.473 -0.040 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)C3CC3)C2)O1 ZINC000982348594 1073746274 /nfs/dbraw/zinc/74/62/74/1073746274.db2.gz NMMAPAMBKXKDDG-VJUNAUMWSA-N 1 1 375.473 -0.040 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)C(F)F)C2)O1 ZINC000982349633 1073747874 /nfs/dbraw/zinc/74/78/74/1073747874.db2.gz XONYJKAYZUPRNG-YXCITZCRSA-N 1 1 385.415 -0.185 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)C(F)F)C2)O1 ZINC000982349633 1073747867 /nfs/dbraw/zinc/74/78/67/1073747867.db2.gz XONYJKAYZUPRNG-YXCITZCRSA-N 1 1 385.415 -0.185 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000982350848 1073747296 /nfs/dbraw/zinc/74/72/96/1073747296.db2.gz ICMCLNCVUNIECC-OEYIWLLWSA-N 1 1 386.460 -0.397 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2c2cnn(C)c2)CC[N@H+]1C 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385.468 -0.095 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023967530 1072632554 /nfs/dbraw/zinc/63/25/54/1072632554.db2.gz DCMOBFDOGMNPMH-IXYNUQLISA-N 1 1 375.473 -0.139 20 0 GBADMO Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C ZINC001023967541 1072632438 /nfs/dbraw/zinc/63/24/38/1072632438.db2.gz DPPCHORBMDDNCT-AAVRWANBSA-N 1 1 377.445 -0.559 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3C3CC3)C[C@H]2O)CC[N@H+]1C ZINC001023967546 1072632642 /nfs/dbraw/zinc/63/26/42/1072632642.db2.gz DTSABEYDBOBIER-UIBBOPPKSA-N 1 1 375.473 -0.061 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(=O)[nH]1 ZINC001023967549 1072632751 /nfs/dbraw/zinc/63/27/51/1072632751.db2.gz DUPNUKRSLSHJDE-RAEVTNRLSA-N 1 1 376.457 -0.009 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4nccnc4c3)C[C@H]2O)CC[N@H+]1C ZINC001023967562 1072632601 /nfs/dbraw/zinc/63/26/01/1072632601.db2.gz FAFVIBHXUNFTCT-UIBBOPPKSA-N 1 1 384.440 -0.334 20 0 GBADMO COc1nc(C)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023967580 1072632473 /nfs/dbraw/zinc/63/24/73/1072632473.db2.gz FIGTZYZMZBJFHS-PZTHBURQSA-N 1 1 377.445 -0.565 20 0 GBADMO CC(=O)Nc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023967632 1072633175 /nfs/dbraw/zinc/63/31/75/1072633175.db2.gz FXIXQFRHRXKLNS-UIBBOPPKSA-N 1 1 389.456 -0.318 20 0 GBADMO COCc1ncsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023967634 1072633885 /nfs/dbraw/zinc/63/38/85/1072633885.db2.gz FYQABGBRTRGABI-HKUMRIAESA-N 1 1 382.486 -0.069 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncc4ncn(C)c43)C[C@H]2O)CC[N@H+]1C ZINC001023967670 1072633556 /nfs/dbraw/zinc/63/35/56/1072633556.db2.gz GDKHXQJFPQLQCI-CZPYZCIJSA-N 1 1 386.456 -0.390 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c(cn3)OCCO4)C[C@H]2O)CC[N@H+]1C ZINC001023967676 1072633183 /nfs/dbraw/zinc/63/31/83/1072633183.db2.gz GDRWFYSFCFYSEM-QHSBEEBCSA-N 1 1 390.440 -0.506 20 0 GBADMO Cc1cc(C)n(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023967685 1072633349 /nfs/dbraw/zinc/63/33/49/1072633349.db2.gz GFFNAGTTXXCSER-QBPKDAKJSA-N 1 1 377.489 -0.082 20 0 GBADMO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001023967717 1072633793 /nfs/dbraw/zinc/63/37/93/1072633793.db2.gz GOTHMEWASBZBHA-KLHDSHLOSA-N 1 1 377.489 -0.045 20 0 GBADMO COc1cc(OC)nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023967723 1072633736 /nfs/dbraw/zinc/63/37/36/1072633736.db2.gz GPMDXRVPPWCOOQ-FDYHWXHSSA-N 1 1 393.444 -0.865 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)n(C)n3)C[C@H]2O)CC[N@H+]1C ZINC001023967731 1072633686 /nfs/dbraw/zinc/63/36/86/1072633686.db2.gz GTFZGFPXRNATHI-WBMRYOJMSA-N 1 1 375.473 -0.061 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4C)C[C@H]2O)CC[N@H+]1C ZINC001023967789 1072633329 /nfs/dbraw/zinc/63/33/29/1072633329.db2.gz IECDOKDHNRMDHU-WBMRYOJMSA-N 1 1 386.456 -0.390 20 0 GBADMO COc1coc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001023967791 1072633747 /nfs/dbraw/zinc/63/37/47/1072633747.db2.gz IENVUDBLTRWLNI-HKUMRIAESA-N 1 1 379.413 -0.710 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)C[C@H]2O)CC[N@H+]1C ZINC001023967838 1072633782 /nfs/dbraw/zinc/63/37/82/1072633782.db2.gz JHVQMHMHDJUFFY-OJAKKHQRSA-N 1 1 380.470 -0.511 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@H]2O)CC[N@H+]1C ZINC001023967854 1072633212 /nfs/dbraw/zinc/63/32/12/1072633212.db2.gz JWWUYCAXGKSLLZ-RGCMKSIDSA-N 1 1 377.445 -0.945 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ccc(=O)[nH]c3)C[C@H]2O)CC[N@H+]1C ZINC001023967860 1072633880 /nfs/dbraw/zinc/63/38/80/1072633880.db2.gz JYLYSNFLTNQKTH-DTZQCDIJSA-N 1 1 376.457 -0.252 20 0 GBADMO COc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC001023967962 1072633318 /nfs/dbraw/zinc/63/33/18/1072633318.db2.gz KVMSCLKMRACYRG-BASLNEPJSA-N 1 1 376.457 -0.339 20 0 GBADMO COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(F)c1 ZINC001023967974 1072634478 /nfs/dbraw/zinc/63/44/78/1072634478.db2.gz KYXLDMXBPHYTHN-PZTHBURQSA-N 1 1 380.420 -0.129 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)nn1 ZINC001023967986 1072634431 /nfs/dbraw/zinc/63/44/31/1072634431.db2.gz LDWWJXODDPDSHH-ODVANORSSA-N 1 1 375.473 -0.011 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]2O)CC[N@H+]1C ZINC001023967994 1072634395 /nfs/dbraw/zinc/63/43/95/1072634395.db2.gz LKPGUXFHSHHCDU-FDYHWXHSSA-N 1 1 379.465 -0.930 20 0 GBADMO COCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023968004 1072634422 /nfs/dbraw/zinc/63/44/22/1072634422.db2.gz LQZSFCNWWZMVAK-HKUMRIAESA-N 1 1 382.486 -0.069 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(F)F)nn3C)C[C@H]2O)CC[N@H+]1C ZINC001023968032 1072634258 /nfs/dbraw/zinc/63/42/58/1072634258.db2.gz MLKVZJSIGAFZBC-BGOOENEXSA-N 1 1 385.415 -0.001 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nnc4ccccc4n3)C[C@H]2O)CC[N@H+]1C ZINC001023968035 1072634445 /nfs/dbraw/zinc/63/44/45/1072634445.db2.gz MMJYAOXNLXJMQU-CZPYZCIJSA-N 1 1 384.440 -0.334 20 0 GBADMO Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968068 1072634416 /nfs/dbraw/zinc/63/44/16/1072634416.db2.gz NGTNCCGQRYYCAN-NMFUWQPSSA-N 1 1 377.441 -0.102 20 0 GBADMO COCc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001023968072 1072634455 /nfs/dbraw/zinc/63/44/55/1072634455.db2.gz NHYMHEWPSLURCW-FDYHWXHSSA-N 1 1 382.486 -0.069 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(F)F)n(C)n3)C[C@H]2O)CC[N@H+]1C ZINC001023968099 1072634277 /nfs/dbraw/zinc/63/42/77/1072634277.db2.gz NYWCRRISMLJWDE-BGOOENEXSA-N 1 1 385.415 -0.001 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]2O)CC[N@H+]1C ZINC001023968100 1072634280 /nfs/dbraw/zinc/63/42/80/1072634280.db2.gz NZGMDUWCMUBKIG-RGCMKSIDSA-N 1 1 378.477 -0.325 20 0 GBADMO COc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001023968106 1072634363 /nfs/dbraw/zinc/63/43/63/1072634363.db2.gz ODZWTHPZACTADA-NLRBGTRBSA-N 1 1 378.429 -0.975 20 0 GBADMO Cc1cc(C)c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(=O)[nH]1 ZINC001023968111 1072634237 /nfs/dbraw/zinc/63/42/37/1072634237.db2.gz OJIVINPZUKIBQO-MUIFIZLQSA-N 1 1 390.484 -0.025 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@H]2O)CC[N@H+]1C ZINC001023968115 1072634596 /nfs/dbraw/zinc/63/45/96/1072634596.db2.gz OOCPJHLWVHDRFX-RGCMKSIDSA-N 1 1 377.445 -0.945 20 0 GBADMO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn2c1OCCC2 ZINC001023968164 1072634248 /nfs/dbraw/zinc/63/42/48/1072634248.db2.gz PFBVSAJIPOFWJY-KBUPBQIOSA-N 1 1 391.472 -0.384 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnn4c3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023968169 1072634373 /nfs/dbraw/zinc/63/43/73/1072634373.db2.gz PLKAPBSLFZDJMC-GFOCRRMGSA-N 1 1 389.500 -0.210 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH]c(=O)[nH]c43)C[C@H]2O)CC[N@H+]1C ZINC001023968206 1072634319 /nfs/dbraw/zinc/63/43/19/1072634319.db2.gz QJSPRRQJWYJIBU-YIKOMLBNSA-N 1 1 387.440 -0.090 20 0 GBADMO Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968214 1072634620 /nfs/dbraw/zinc/63/46/20/1072634620.db2.gz QLLMAZXFWOMXLK-BNEJOLLZSA-N 1 1 391.516 -0.002 20 0 GBADMO CNC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001023968224 1072634489 /nfs/dbraw/zinc/63/44/89/1072634489.db2.gz QVDMRSQKYMQPPS-BASLNEPJSA-N 1 1 388.468 -0.312 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc4n3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023968240 1072632776 /nfs/dbraw/zinc/63/27/76/1072632776.db2.gz RJRPHADYBRSHDC-DTZQCDIJSA-N 1 1 375.473 -0.139 20 0 GBADMO COc1ccncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968267 1072632760 /nfs/dbraw/zinc/63/27/60/1072632760.db2.gz RVLKFYVXNCWFEM-DTZQCDIJSA-N 1 1 376.457 -0.339 20 0 GBADMO CC(=O)Nc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC001023968280 1072632710 /nfs/dbraw/zinc/63/27/10/1072632710.db2.gz SAHADSWVFCIKRR-MDNXKNQGSA-N 1 1 389.456 -0.318 20 0 GBADMO COc1cccnc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968287 1072632721 /nfs/dbraw/zinc/63/27/21/1072632721.db2.gz SBSCNBCPMGKXKH-RRCSTGOVSA-N 1 1 376.457 -0.339 20 0 GBADMO Cc1nccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023968312 1072632589 /nfs/dbraw/zinc/63/25/89/1072632589.db2.gz SUKYJDRSVLMKBZ-BASLNEPJSA-N 1 1 375.473 -0.254 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc(Cl)cn3)C[C@H]2O)CC[N@H+]1C ZINC001023968320 1072632563 /nfs/dbraw/zinc/63/25/63/1072632563.db2.gz TUIWKNLIJZORNB-NMFUWQPSSA-N 1 1 383.880 -0.045 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccccc3=O)C[C@H]2O)CC[N@H+]1C ZINC001023968327 1072632537 /nfs/dbraw/zinc/63/25/37/1072632537.db2.gz TZDAWFMODSCROS-KLHDSHLOSA-N 1 1 376.457 -0.734 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3C(N)=O)C[C@H]2O)CC[N@H+]1C ZINC001023968378 1072632506 /nfs/dbraw/zinc/63/25/06/1072632506.db2.gz UHCFISABYHZJSV-ODVANORSSA-N 1 1 388.468 -0.644 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4nnn(C)c43)C[C@H]2O)CC[N@H+]1C ZINC001023968385 1072632646 /nfs/dbraw/zinc/63/26/46/1072632646.db2.gz UQVXJGLNUUWHIC-CZPYZCIJSA-N 1 1 386.456 -0.390 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cn4c(n3)CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023968390 1072632794 /nfs/dbraw/zinc/63/27/94/1072632794.db2.gz UVBITLSCDGYHSL-MWQQHZPXSA-N 1 1 389.500 -0.210 20 0 GBADMO COCc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001023968398 1072632736 /nfs/dbraw/zinc/63/27/36/1072632736.db2.gz VGIWVFVHVCSPCY-BASLNEPJSA-N 1 1 376.457 -0.130 20 0 GBADMO Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968407 1072632664 /nfs/dbraw/zinc/63/26/64/1072632664.db2.gz VIZZCFKWIKHFER-ODVANORSSA-N 1 1 377.489 -0.392 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)cn3)C[C@H]2O)CC[N@H+]1C ZINC001023968420 1072632807 /nfs/dbraw/zinc/63/28/07/1072632807.db2.gz VVFKIWTUTZFQSV-ODVANORSSA-N 1 1 375.473 -0.211 20 0 GBADMO Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C ZINC001023968436 1072632732 /nfs/dbraw/zinc/63/27/32/1072632732.db2.gz WQTPERHLFYRKAR-KBUPBQIOSA-N 1 1 391.472 -0.961 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4c(c3)ncn4C)C[C@H]2O)CC[N@H+]1C ZINC001023968460 1072632573 /nfs/dbraw/zinc/63/25/73/1072632573.db2.gz WZYMPXYLGNBZRV-UIBBOPPKSA-N 1 1 386.456 -0.390 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnc4c3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023968480 1072632824 /nfs/dbraw/zinc/63/28/24/1072632824.db2.gz XNWYYZBEEMDAMQ-GZOSKZMVSA-N 1 1 389.500 -0.210 20 0 GBADMO COc1ncnc(OC)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968484 1072632546 /nfs/dbraw/zinc/63/25/46/1072632546.db2.gz XQNCYVCIIQEDKM-FDYHWXHSSA-N 1 1 393.444 -0.865 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@H]2O)CC[N@H+]1C ZINC001023968503 1072632520 /nfs/dbraw/zinc/63/25/20/1072632520.db2.gz YJDSSHMSPQBIIY-NMFUWQPSSA-N 1 1 390.488 -0.737 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]2O)CC[N@H+]1C ZINC001023968510 1072632581 /nfs/dbraw/zinc/63/25/81/1072632581.db2.gz YMMORXSPPAAZFY-PZTHBURQSA-N 1 1 387.444 -0.995 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnn4ccccc34)C[C@H]2O)CC[N@H+]1C ZINC001023968524 1072632453 /nfs/dbraw/zinc/63/24/53/1072632453.db2.gz YWERCPUEFNQMNL-GFOCRRMGSA-N 1 1 385.468 -0.095 20 0 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FPHDFISHEBDNGS-DTZQCDIJSA-N 1 1 376.457 -0.339 20 0 GBADMO Cc1cnc2nc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)nn2c1 ZINC001023969112 1072633246 /nfs/dbraw/zinc/63/32/46/1072633246.db2.gz FSLSRHXLUCKANZ-AAVRWANBSA-N 1 1 387.444 -0.926 20 0 GBADMO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cnn1C ZINC001023969203 1072633263 /nfs/dbraw/zinc/63/32/63/1072633263.db2.gz HPDHOPWWDVWRGV-MWQQHZPXSA-N 1 1 377.489 -0.311 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)C[C@H]2O)CC[N@H+]1C ZINC001023969245 1072633723 /nfs/dbraw/zinc/63/37/23/1072633723.db2.gz JMMUCSNRPIZSSD-UIBBOPPKSA-N 1 1 375.473 -0.061 20 0 GBADMO COc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023969247 1072633226 /nfs/dbraw/zinc/63/32/26/1072633226.db2.gz JOWMRSHTYVCMJL-HBJVGIJOSA-N 1 1 378.429 -0.563 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cn(C)nc3Cl)C[C@H]2O)CC[N@H+]1C ZINC001023969253 1072633357 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Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023969352 1072633845 /nfs/dbraw/zinc/63/38/45/1072633845.db2.gz MJTOOISYPZAXMQ-MWQQHZPXSA-N 1 1 377.489 -0.013 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCOC4)C[C@H]2O)CC[N@H+]1C ZINC001023969368 1072633890 /nfs/dbraw/zinc/63/38/90/1072633890.db2.gz MRINHRNMNFFVHY-MCPWVCTESA-N 1 1 376.457 -0.271 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4ncn(C)c4n3)C[C@H]2O)CC[N@H+]1C ZINC001023969440 1072633203 /nfs/dbraw/zinc/63/32/03/1072633203.db2.gz OEXZXUDFMBCKRJ-CZPYZCIJSA-N 1 1 386.456 -0.390 20 0 GBADMO Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023969455 1072633642 /nfs/dbraw/zinc/63/36/42/1072633642.db2.gz PARPOSLVTSERLZ-DTZQCDIJSA-N 1 1 393.488 -0.556 20 0 GBADMO Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001023969464 1072633541 /nfs/dbraw/zinc/63/35/41/1072633541.db2.gz PIERDCOALZCARD-MWQQHZPXSA-N 1 1 388.468 -0.038 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(CC(F)F)n3)C[C@H]2O)CC[N@H+]1C ZINC001023969572 1072636175 /nfs/dbraw/zinc/63/61/75/1072636175.db2.gz PTMACUCEMATLPF-HBJVGIJOSA-N 1 1 385.415 -0.210 20 0 GBADMO Cc1cn2ccnc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)c2n1 ZINC001023969576 1072636215 /nfs/dbraw/zinc/63/62/15/1072636215.db2.gz PXSUUFNROADGMT-KBUPBQIOSA-N 1 1 386.456 -0.321 20 0 GBADMO Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)cnc2[nH]1 ZINC001023969579 1072636468 /nfs/dbraw/zinc/63/64/68/1072636468.db2.gz QBSPKCCKOAYQOG-YEHMFOAPSA-N 1 1 386.456 -0.092 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c4c(nn3C)CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023969580 1072636399 /nfs/dbraw/zinc/63/63/99/1072636399.db2.gz QCRUEINPDSVKMU-BQGCOEIASA-N 1 1 389.500 -0.059 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023969626 1072635988 /nfs/dbraw/zinc/63/59/88/1072635988.db2.gz RXSSDRPSLZTLEI-IXYNUQLISA-N 1 1 375.473 -0.139 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(CC4CC4)c3)C[C@H]2O)CC[N@H+]1C ZINC001023969630 1072636196 /nfs/dbraw/zinc/63/61/96/1072636196.db2.gz SDSFOHKQVHQICS-BASLNEPJSA-N 1 1 375.473 -0.065 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4c3ncn4C)C[C@H]2O)CC[N@H+]1C ZINC001023969635 1072636250 /nfs/dbraw/zinc/63/62/50/1072636250.db2.gz SIYNNIUTSJRXPN-QHSBEEBCSA-N 1 1 386.456 -0.390 20 0 GBADMO COc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)nn1C ZINC001023969636 1072636449 /nfs/dbraw/zinc/63/64/49/1072636449.db2.gz SKZBPJXZVSQJFY-AAVRWANBSA-N 1 1 379.461 -0.621 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccc(C(F)F)n3)C[C@H]2O)CC[N@H+]1C ZINC001023969641 1072636062 /nfs/dbraw/zinc/63/60/62/1072636062.db2.gz SPYZROKJRSLTJG-HBJVGIJOSA-N 1 1 385.415 -0.151 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023969648 1072636315 /nfs/dbraw/zinc/63/63/15/1072636315.db2.gz SYGMPFJAOPENLI-ODVANORSSA-N 1 1 375.473 -0.139 20 0 GBADMO CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nnn1CC ZINC001023969650 1072636478 /nfs/dbraw/zinc/63/64/78/1072636478.db2.gz TTWTUERFLOZTMU-RGCMKSIDSA-N 1 1 378.477 -0.498 20 0 GBADMO CC(C)CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001023969665 1072635919 /nfs/dbraw/zinc/63/59/19/1072635919.db2.gz UKVMLOAKIHAWFH-KCYZZUKISA-N 1 1 392.504 -0.034 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)nn3)C[C@H]2O)CC[N@H+]1C ZINC001023969790 1072636283 /nfs/dbraw/zinc/63/62/83/1072636283.db2.gz VWKHNSVDPOYLLP-UIBBOPPKSA-N 1 1 376.461 -0.816 20 0 GBADMO Cc1ccnc2nc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)nn21 ZINC001023969793 1072635979 /nfs/dbraw/zinc/63/59/79/1072635979.db2.gz WBOLPBZBRXUBEA-AAVRWANBSA-N 1 1 387.444 -0.926 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nc3)C[C@H]2O)CC[N@H+]1C 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C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnn3CC(F)F)C[C@H]2O)CC[N@H+]1C ZINC001023969866 1072636358 /nfs/dbraw/zinc/63/63/58/1072636358.db2.gz YGCAWMJNVBZBJV-HKUMRIAESA-N 1 1 385.415 -0.210 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)NC(=O)C4)C[C@H]2O)CC[N@H+]1C ZINC001023969868 1072636365 /nfs/dbraw/zinc/63/63/65/1072636365.db2.gz YICXIOHVTZESJR-MDNXKNQGSA-N 1 1 386.452 -0.177 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]nc4c3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023969872 1072636185 /nfs/dbraw/zinc/63/61/85/1072636185.db2.gz YJHAQOSKSIIXAZ-XHSVMWQWSA-N 1 1 389.500 -0.141 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nn(C)c4c3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023969952 1072636260 /nfs/dbraw/zinc/63/62/60/1072636260.db2.gz ZNUFCMNXOOGTOQ-GKLJAUDBSA-N 1 1 389.500 -0.059 20 0 GBADMO Cc1nnc2ccc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)cn12 ZINC001023969994 1072636387 /nfs/dbraw/zinc/63/63/87/1072636387.db2.gz AQHWLGWMKLGXKE-RAEVTNRLSA-N 1 1 386.456 -0.321 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3csc4nccn34)C[C@H]2O)CC[N@H+]1C ZINC001023969996 1072636054 /nfs/dbraw/zinc/63/60/54/1072636054.db2.gz ARJYUQTWAZLPON-NMFUWQPSSA-N 1 1 391.497 -0.034 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(C4CC4)[nH]c3=O)C[C@H]2O)CC[N@H+]1C ZINC001023969997 1072636430 /nfs/dbraw/zinc/63/64/30/1072636430.db2.gz ASEUTPGOOBDOLT-PZTHBURQSA-N 1 1 389.456 -0.299 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(=O)N3CCC(C)CC3)C[C@H]2O)CC[N@H+]1C ZINC001023970027 1072636041 /nfs/dbraw/zinc/63/60/41/1072636041.db2.gz BYTBHIVARWDKPN-KLHDSHLOSA-N 1 1 380.489 -0.727 20 0 GBADMO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(OC)n1 ZINC001023970043 1072636302 /nfs/dbraw/zinc/63/63/02/1072636302.db2.gz CYUBYQGHBYVRPM-NMFUWQPSSA-N 1 1 392.456 -0.260 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3OCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023970048 1072636072 /nfs/dbraw/zinc/63/60/72/1072636072.db2.gz DGKUSTBWPRPZMA-QHSBEEBCSA-N 1 1 377.445 -0.693 20 0 GBADMO CC(=O)NCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001023970057 1072636029 /nfs/dbraw/zinc/63/60/29/1072636029.db2.gz DTJKIIOJPZXIPO-RAEVTNRLSA-N 1 1 392.456 -0.443 20 0 GBADMO Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(=O)[nH]1 ZINC001023970064 1072636484 /nfs/dbraw/zinc/63/64/84/1072636484.db2.gz FFIUKSSGKVUESR-UIBBOPPKSA-N 1 1 391.472 -0.630 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]2O)CC[N@H+]1C ZINC001023970066 1072636165 /nfs/dbraw/zinc/63/61/65/1072636165.db2.gz FGLBSTZUACAZDZ-FMKGYKFTSA-N 1 1 388.428 -0.923 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)s3)C[C@H]2O)CC[N@H+]1C ZINC001023970074 1072636159 /nfs/dbraw/zinc/63/61/59/1072636159.db2.gz FOWKDOHGZOSWIK-DDHJBXDOSA-N 1 1 380.470 -0.511 20 0 GBADMO Cc1cnc2c(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)cnn2c1 ZINC001023970241 1072635965 /nfs/dbraw/zinc/63/59/65/1072635965.db2.gz HNAZYDKUMLJKKK-RRCSTGOVSA-N 1 1 386.456 -0.321 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@H]2O)CC[N@H+]1C ZINC001023970269 1072636271 /nfs/dbraw/zinc/63/62/71/1072636271.db2.gz IXSHJKLUJREGKI-WGEPELCKSA-N 1 1 388.428 -0.695 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(CN(C)C)on3)C[C@H]2O)CC[N@H+]1C ZINC001023970284 1072636138 /nfs/dbraw/zinc/63/61/38/1072636138.db2.gz JMJIXBQOMNIZJS-UIBBOPPKSA-N 1 1 379.461 -0.622 20 0 GBADMO COCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970292 1072637020 /nfs/dbraw/zinc/63/70/20/1072637020.db2.gz JUBHNGJRBQQZMR-ZNEHSRBWSA-N 1 1 379.461 -0.792 20 0 GBADMO Cc1nn2cccnc2c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970407 1072637317 /nfs/dbraw/zinc/63/73/17/1072637317.db2.gz KMTBRXVTFIQKAF-KBUPBQIOSA-N 1 1 386.456 -0.321 20 0 GBADMO Cc1occc(=O)c1OCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970441 1072637340 /nfs/dbraw/zinc/63/73/40/1072637340.db2.gz MDJPCHBDNVPWAX-XKVFNRALSA-N 1 1 393.440 -0.645 20 0 GBADMO COCCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023970453 1072637126 /nfs/dbraw/zinc/63/71/26/1072637126.db2.gz MTOFUZPNEXNICF-RRCSTGOVSA-N 1 1 379.461 -0.829 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3nc(C4CC4)no3)C[C@H]2O)CC[N@H+]1C ZINC001023970470 1072637057 /nfs/dbraw/zinc/63/70/57/1072637057.db2.gz NGCSRIWXRQXQSX-NMFUWQPSSA-N 1 1 391.472 -0.092 20 0 GBADMO Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970600 1072637250 /nfs/dbraw/zinc/63/72/50/1072637250.db2.gz POUSGZVYSWDTFC-DTZQCDIJSA-N 1 1 391.472 -0.549 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)C[C@H]2O)CC[N@H+]1C ZINC001023970627 1072634515 /nfs/dbraw/zinc/63/45/15/1072634515.db2.gz QVWZPOVAAGVCCZ-QTDMDRALSA-N 1 1 387.440 -0.090 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@H]2O)CC[N@H+]1C ZINC001023970646 1072634439 /nfs/dbraw/zinc/63/44/39/1072634439.db2.gz RUJYMYPIGAVPJE-YIKOMLBNSA-N 1 1 387.440 -0.782 20 0 GBADMO CCc1nnc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970652 1072634540 /nfs/dbraw/zinc/63/45/40/1072634540.db2.gz RZOXNSWXJUWYKG-BQGCOEIASA-N 1 1 375.473 -0.011 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)cn3)C[C@H]2O)CC[N@H+]1C ZINC001023970674 1072634353 /nfs/dbraw/zinc/63/43/53/1072634353.db2.gz SSJUHTFOQCMZME-BASLNEPJSA-N 1 1 375.473 -0.211 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnc3N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023970678 1072634384 /nfs/dbraw/zinc/63/43/84/1072634384.db2.gz SVOIJWYDAUISRU-RRCSTGOVSA-N 1 1 375.473 -0.211 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)C[C@H]2O)CC[N@H+]1C ZINC001023970679 1072634555 /nfs/dbraw/zinc/63/45/55/1072634555.db2.gz SWEUJXLZZVHDGN-MCPWVCTESA-N 1 1 388.468 -0.082 20 0 GBADMO CC(=O)Nc1c[nH]c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970687 1072634343 /nfs/dbraw/zinc/63/43/43/1072634343.db2.gz UAJWPAMDDYMKGS-UIBBOPPKSA-N 1 1 391.472 -0.077 20 0 GBADMO Cc1[nH]nc2ncc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)cc12 ZINC001023970702 1072634333 /nfs/dbraw/zinc/63/43/33/1072634333.db2.gz VDPDFGMKADWJDQ-UIBBOPPKSA-N 1 1 386.456 -0.092 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001023970713 1072634637 /nfs/dbraw/zinc/63/46/37/1072634637.db2.gz VUDRUWWNMGTTEU-KLHDSHLOSA-N 1 1 382.505 -0.875 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(n3)OCCO4)C[C@H]2O)CC[N@H+]1C ZINC001023970737 1072634313 /nfs/dbraw/zinc/63/43/13/1072634313.db2.gz XEEUBNZTEDAKAR-QHSBEEBCSA-N 1 1 390.440 -0.506 20 0 GBADMO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(=O)c1 ZINC001023970778 1072634573 /nfs/dbraw/zinc/63/45/73/1072634573.db2.gz ZBYIIBPAAYOPNB-KLHDSHLOSA-N 1 1 376.457 -0.815 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3C(F)F)C[C@H]2O)CC[N@H+]1C ZINC001023970787 1072635562 /nfs/dbraw/zinc/63/55/62/1072635562.db2.gz ZMTVMOKDPJKXDI-FPQZTECRSA-N 1 1 385.415 -0.001 20 0 GBADMO CCc1c[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001023971952 1072635557 /nfs/dbraw/zinc/63/55/57/1072635557.db2.gz BMAZEOBWRNCAMX-UIBBOPPKSA-N 1 1 376.457 -0.009 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nnn(C)c4c3)C[C@H]2O)CC[N@H+]1C ZINC001023971956 1072635549 /nfs/dbraw/zinc/63/55/49/1072635549.db2.gz BQNRSXACULBOLE-WBMRYOJMSA-N 1 1 386.456 -0.390 20 0 GBADMO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001023971963 1072635078 /nfs/dbraw/zinc/63/50/78/1072635078.db2.gz CCCPOZXJTXHFDF-MUIFIZLQSA-N 1 1 393.488 -0.520 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncc4cccnc43)C[C@H]2O)CC[N@H+]1C ZINC001023971990 1072635539 /nfs/dbraw/zinc/63/55/39/1072635539.db2.gz DCRFYIKYTUGKNB-DTZQCDIJSA-N 1 1 386.456 -0.541 20 0 GBADMO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nnn1C(C)C ZINC001023971999 1072635509 /nfs/dbraw/zinc/63/55/09/1072635509.db2.gz DWGOBYRJERNWAY-NMFUWQPSSA-N 1 1 378.477 -0.191 20 0 GBADMO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001023972002 1072635490 /nfs/dbraw/zinc/63/54/90/1072635490.db2.gz DXMHHEAXDMDULA-DTZQCDIJSA-N 1 1 379.461 -0.829 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4c(cnn4C)c3)C[C@H]2O)CC[N@H+]1C ZINC001023972009 1072635483 /nfs/dbraw/zinc/63/54/83/1072635483.db2.gz FHKUUEQIUAAAFV-RAEVTNRLSA-N 1 1 386.456 -0.390 20 0 GBADMO Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1=O ZINC001023972011 1072635206 /nfs/dbraw/zinc/63/52/06/1072635206.db2.gz FMLVSYOZBXJUPX-KLHDSHLOSA-N 1 1 376.457 -0.815 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023972037 1072635333 /nfs/dbraw/zinc/63/53/33/1072635333.db2.gz GNZITHWHINLJEL-GKLJAUDBSA-N 1 1 375.473 -0.211 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023972037 1072635324 /nfs/dbraw/zinc/63/53/24/1072635324.db2.gz GNZITHWHINLJEL-GKLJAUDBSA-N 1 1 375.473 -0.211 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(N(C)C)cn3)C[C@H]2O)CC[N@H+]1C ZINC001023972040 1072635517 /nfs/dbraw/zinc/63/55/17/1072635517.db2.gz GPIIOPXNMZPTEI-QHSBEEBCSA-N 1 1 376.461 -0.816 20 0 GBADMO Cc1nc2nccc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)n2n1 ZINC001023972093 1072635041 /nfs/dbraw/zinc/63/50/41/1072635041.db2.gz JQMBOEPHHYKVAK-BPGGGUHBSA-N 1 1 387.444 -0.926 20 0 GBADMO CNC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001023972098 1072635572 /nfs/dbraw/zinc/63/55/72/1072635572.db2.gz JWGVDXMAFFJRBT-UIBBOPPKSA-N 1 1 389.456 -0.917 20 0 GBADMO 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389.412 -0.029 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@H]2O)CC[N@H+]1C ZINC001023972243 1072635098 /nfs/dbraw/zinc/63/50/98/1072635098.db2.gz OHIKKJKGJGOUML-HBJVGIJOSA-N 1 1 387.444 -0.995 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023972308 1072635289 /nfs/dbraw/zinc/63/52/89/1072635289.db2.gz PIQRLCIRCPWVNV-GKLJAUDBSA-N 1 1 375.473 -0.139 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c4c(nn3C)CCC4)C[C@H]2O)CC[N@H+]1C ZINC001023972331 1072635189 /nfs/dbraw/zinc/63/51/89/1072635189.db2.gz PWZFSTDZGPQTDZ-CZPYZCIJSA-N 1 1 375.473 -0.450 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3occc3CN(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023972356 1072635444 /nfs/dbraw/zinc/63/54/44/1072635444.db2.gz QLSZUJYEFZGONO-DTZQCDIJSA-N 1 1 378.473 -0.017 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3occc3CN(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023972356 1072635432 /nfs/dbraw/zinc/63/54/32/1072635432.db2.gz QLSZUJYEFZGONO-DTZQCDIJSA-N 1 1 378.473 -0.017 20 0 GBADMO COc1ccnc(OC)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023972406 1072635464 /nfs/dbraw/zinc/63/54/64/1072635464.db2.gz RSBCSLGHECUWIV-AAVRWANBSA-N 1 1 392.456 -0.260 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCCO4)C[C@H]2O)CC[N@H+]1C ZINC001023972427 1072635525 /nfs/dbraw/zinc/63/55/25/1072635525.db2.gz RZGJHOWJCWFDAX-QHSBEEBCSA-N 1 1 377.445 -0.693 20 0 GBADMO Cc1nc2ccnn2cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023972443 1072635265 /nfs/dbraw/zinc/63/52/65/1072635265.db2.gz SGRDKOPQGZDQPQ-RRCSTGOVSA-N 1 1 386.456 -0.321 20 0 GBADMO COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023972445 1072635389 /nfs/dbraw/zinc/63/53/89/1072635389.db2.gz SHHRDRRDMYWOIY-FDYHWXHSSA-N 1 1 378.429 -0.563 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(CC4CC4)nn3)C[C@H]2O)CC[N@H+]1C ZINC001023972489 1072636233 /nfs/dbraw/zinc/63/62/33/1072636233.db2.gz SUOACQZILFMRSY-XKVFNRALSA-N 1 1 376.461 -0.670 20 0 GBADMO Cc1ccn2ncc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)c2n1 ZINC001023972491 1072636105 /nfs/dbraw/zinc/63/61/05/1072636105.db2.gz SUSVWEZQCQPAET-RRCSTGOVSA-N 1 1 386.456 -0.321 20 0 GBADMO CC(C)Oc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001023972496 1072636206 /nfs/dbraw/zinc/63/62/06/1072636206.db2.gz TTYJQOGTRTXONQ-RRCSTGOVSA-N 1 1 391.472 -0.095 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)C[C@H]2O)CC[N@H+]1C ZINC001023972534 1072636409 /nfs/dbraw/zinc/63/64/09/1072636409.db2.gz VKDSQOAXYHKFCW-QHSBEEBCSA-N 1 1 376.461 -0.816 20 0 GBADMO CC(=O)Nc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC001023972539 1072635905 /nfs/dbraw/zinc/63/59/05/1072635905.db2.gz VPYCOJCEYKSCQI-RAEVTNRLSA-N 1 1 389.456 -0.318 20 0 GBADMO CNC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023972564 1072636293 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ZINC001023977279 1072637227 /nfs/dbraw/zinc/63/72/27/1072637227.db2.gz CRRHIQCKHMWELL-ZGKBOVNRSA-N 1 1 379.461 -0.540 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3OCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023977294 1072637241 /nfs/dbraw/zinc/63/72/41/1072637241.db2.gz CWDCCRJSFRXOJU-LCGIIJARSA-N 1 1 391.472 -0.303 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(CCOC)n3)C[C@H]2O)CC[N@H+]1C ZINC001023977296 1072637161 /nfs/dbraw/zinc/63/71/61/1072637161.db2.gz CWDQXEREXQEBEJ-RKTXRCNFSA-N 1 1 393.488 -0.439 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc(OC)cn3)C[C@H]2O)CC[N@H+]1C ZINC001023977335 1072637214 /nfs/dbraw/zinc/63/72/14/1072637214.db2.gz DUMPVWMWCJCWKC-GBJTYRQASA-N 1 1 377.445 -0.483 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncnc4[nH]ccc43)C[C@H]2O)CC[N@H+]1C ZINC001023977398 1072636884 /nfs/dbraw/zinc/63/68/84/1072636884.db2.gz FQAZBNSYTIQGDH-ZGKBOVNRSA-N 1 1 386.456 -0.059 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)CC[N@H+]1C ZINC001023977427 1072637043 /nfs/dbraw/zinc/63/70/43/1072637043.db2.gz GDFODBRWSDKDCZ-ZJIFWQFVSA-N 1 1 376.457 -0.583 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)ccc3=O)C[C@H]2O)CC[N@H+]1C ZINC001023977464 1072637103 /nfs/dbraw/zinc/63/71/03/1072637103.db2.gz GRFDXIVBFYDYDM-DPAVQSFQSA-N 1 1 376.457 -0.583 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn4cccnc4n3)C[C@H]2O)CC[N@H+]1C ZINC001023977478 1072636970 /nfs/dbraw/zinc/63/69/70/1072636970.db2.gz GYHPBYBUBGBGIJ-SJXGUFTOSA-N 1 1 386.456 -0.239 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4n[nH]nc43)C[C@H]2O)CC[N@H+]1C ZINC001023977624 1072637326 /nfs/dbraw/zinc/63/73/26/1072637326.db2.gz JDSZZIFBQMLWBT-IGHBBLSQSA-N 1 1 387.444 -0.615 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)COc3cccnc3)C[C@H]2O)CC[N@H+]1C ZINC001023977649 1072637186 /nfs/dbraw/zinc/63/71/86/1072637186.db2.gz KMEIDVDZQZNVHR-YLFCFFPRSA-N 1 1 376.457 -0.121 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@H]2O)CC[N@H+]1C ZINC001023977687 1072636838 /nfs/dbraw/zinc/63/68/38/1072636838.db2.gz LRABHUITSHLHFN-ZJIFWQFVSA-N 1 1 380.489 -0.583 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)o3)C[C@H]2O)CC[N@H+]1C ZINC001023977729 1072638140 /nfs/dbraw/zinc/63/81/40/1072638140.db2.gz MNIPNFRIMQGELJ-UMSGYPCISA-N 1 1 378.429 -0.590 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]2O)CC[N@H+]1C ZINC001023977767 1072638073 /nfs/dbraw/zinc/63/80/73/1072638073.db2.gz MWDKOCDQGQQQMJ-DSJMHWKBSA-N 1 1 391.472 -0.844 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nncn4c3)C[C@H]2O)CC[N@H+]1C ZINC001023977903 1072638297 /nfs/dbraw/zinc/63/82/97/1072638297.db2.gz OWPMFNLQLIDQLL-ZJIFWQFVSA-N 1 1 386.456 -0.239 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2O)CC[N@H+]1C ZINC001023978533 1072638207 /nfs/dbraw/zinc/63/82/07/1072638207.db2.gz AARNNDUGODYXQC-LCGIIJARSA-N 1 1 375.473 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1 389.456 -0.788 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3nc(C)no3)C[C@H]2O)CC[N@H+]1C ZINC001023978564 1072638103 /nfs/dbraw/zinc/63/81/03/1072638103.db2.gz BKKOKMRQFPHPLS-GBJTYRQASA-N 1 1 379.461 -0.271 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(OC)nn3)C[C@H]2O)CC[N@H+]1C ZINC001023978570 1072637895 /nfs/dbraw/zinc/63/78/95/1072637895.db2.gz BQRCXWQNIPHRRW-ZGKBOVNRSA-N 1 1 377.445 -0.483 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccn(C)c3=O)C[C@H]2O)CC[N@H+]1C ZINC001023978572 1072638011 /nfs/dbraw/zinc/63/80/11/1072638011.db2.gz BTXJCEDQNIQQMX-LCGIIJARSA-N 1 1 376.457 -0.583 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)C[C@H]2O)CC[N@H+]1C ZINC001023978577 1072638330 /nfs/dbraw/zinc/63/83/30/1072638330.db2.gz BVKXYBIXRSSJKS-DZOHQFGASA-N 1 1 391.516 -0.002 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4nccn4c3)C[C@H]2O)CC[N@H+]1C ZINC001023978585 1072638256 /nfs/dbraw/zinc/63/82/56/1072638256.db2.gz 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YGKVRJLAYWTSDU-BQGCOEIASA-N 1 1 384.440 -0.024 20 0 GBADMO O=C(N[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001024379765 1072744982 /nfs/dbraw/zinc/74/49/82/1072744982.db2.gz ZMLUQAZDXIVQMR-MMYVAXCBSA-N 1 1 381.396 -0.442 20 0 GBADMO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1O)c1cnc2n1CCOC2 ZINC001024380383 1072744561 /nfs/dbraw/zinc/74/45/61/1072744561.db2.gz JQFMAADCWCXDOK-NLRBGTRBSA-N 1 1 386.412 -0.758 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnn4c3CCCC4)C2)CC[N@H+]1C ZINC001024380564 1072731749 /nfs/dbraw/zinc/73/17/49/1072731749.db2.gz NURRCCUXIUQJDZ-GFOCRRMGSA-N 1 1 389.500 -0.210 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4n3CCOC4)C2)CC[N@H+]1C ZINC001024380903 1072731375 /nfs/dbraw/zinc/73/13/75/1072731375.db2.gz ULYPXYBPMCDDRL-RGCMKSIDSA-N 1 1 377.445 -0.945 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4n3CCOC4)C2)CC[N@H+]1C ZINC001024380909 1072732059 /nfs/dbraw/zinc/73/20/59/1072732059.db2.gz URORXMDVLZETRW-DSJMHWKBSA-N 1 1 391.472 -0.555 20 0 GBADMO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2O)cn1 ZINC001024383908 1072732209 /nfs/dbraw/zinc/73/22/09/1072732209.db2.gz GNHFNAYUBVQDDH-KLHDSHLOSA-N 1 1 393.488 -0.666 20 0 GBADMO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2O)cn1 ZINC001024383908 1072732202 /nfs/dbraw/zinc/73/22/02/1072732202.db2.gz GNHFNAYUBVQDDH-KLHDSHLOSA-N 1 1 393.488 -0.666 20 0 GBADMO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)cn1 ZINC001024384069 1072732764 /nfs/dbraw/zinc/73/27/64/1072732764.db2.gz MJTOPJFUTVAQAW-KLHDSHLOSA-N 1 1 377.489 -0.045 20 0 GBADMO COc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1O ZINC001024385797 1072732532 /nfs/dbraw/zinc/73/25/32/1072732532.db2.gz NNIAYQSOQPZZCG-DTZQCDIJSA-N 1 1 376.457 -0.339 20 0 GBADMO COc1ccsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024386800 1072732310 /nfs/dbraw/zinc/73/23/10/1072732310.db2.gz ACVRBLHJNNIRCL-HKUMRIAESA-N 1 1 383.470 -0.223 20 0 GBADMO COc1ccsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024386800 1072732306 /nfs/dbraw/zinc/73/23/06/1072732306.db2.gz ACVRBLHJNNIRCL-HKUMRIAESA-N 1 1 383.470 -0.223 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@H]2O)O1 ZINC001024386814 1072732330 /nfs/dbraw/zinc/73/23/30/1072732330.db2.gz AJAODEMATORTOC-AAVRWANBSA-N 1 1 379.461 -0.906 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@H]2O)O1 ZINC001024386814 1072732326 /nfs/dbraw/zinc/73/23/26/1072732326.db2.gz AJAODEMATORTOC-AAVRWANBSA-N 1 1 379.461 -0.906 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]2O)O1 ZINC001024386832 1072732433 /nfs/dbraw/zinc/73/24/33/1072732433.db2.gz AZDSSBTXXLWHPC-BNEJOLLZSA-N 1 1 390.484 -0.227 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]2O)O1 ZINC001024386832 1072732427 /nfs/dbraw/zinc/73/24/27/1072732427.db2.gz AZDSSBTXXLWHPC-BNEJOLLZSA-N 1 1 390.484 -0.227 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2O)O1 ZINC001024386833 1072732493 /nfs/dbraw/zinc/73/24/93/1072732493.db2.gz BFJVQSGEHYWBOI-ODVANORSSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2O)O1 ZINC001024386833 1072732486 /nfs/dbraw/zinc/73/24/86/1072732486.db2.gz BFJVQSGEHYWBOI-ODVANORSSA-N 1 1 387.440 -0.645 20 0 GBADMO CCCn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024386835 1072732669 /nfs/dbraw/zinc/73/26/69/1072732669.db2.gz BIBUEZHIUIUADQ-RRCSTGOVSA-N 1 1 379.461 -0.686 20 0 GBADMO CCCn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024386835 1072732656 /nfs/dbraw/zinc/73/26/56/1072732656.db2.gz BIBUEZHIUIUADQ-RRCSTGOVSA-N 1 1 379.461 -0.686 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nonc4c3)C[C@H]2O)O1 ZINC001024386841 1072732288 /nfs/dbraw/zinc/73/22/88/1072732288.db2.gz BMWRASHOOKJGRB-HMTTWLPMSA-N 1 1 389.412 -0.757 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nonc4c3)C[C@H]2O)O1 ZINC001024386841 1072732284 /nfs/dbraw/zinc/73/22/84/1072732284.db2.gz BMWRASHOOKJGRB-HMTTWLPMSA-N 1 1 389.412 -0.757 20 0 GBADMO CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CCOCC1 ZINC001024386851 1072732343 /nfs/dbraw/zinc/73/23/43/1072732343.db2.gz BROIEKHTODTCMC-KLHDSHLOSA-N 1 1 383.489 -0.400 20 0 GBADMO CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CCOCC1 ZINC001024386851 1072732340 /nfs/dbraw/zinc/73/23/40/1072732340.db2.gz BROIEKHTODTCMC-KLHDSHLOSA-N 1 1 383.489 -0.400 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@H]2O)O1 ZINC001024386853 1072732268 /nfs/dbraw/zinc/73/22/68/1072732268.db2.gz BWDJWUHUSGSGFU-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@H]2O)O1 ZINC001024386853 1072732264 /nfs/dbraw/zinc/73/22/64/1072732264.db2.gz BWDJWUHUSGSGFU-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001024386863 1072732353 /nfs/dbraw/zinc/73/23/53/1072732353.db2.gz CDBOIDRQPYZIML-BASLNEPJSA-N 1 1 393.488 -0.378 20 0 GBADMO CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001024386863 1072732351 /nfs/dbraw/zinc/73/23/51/1072732351.db2.gz CDBOIDRQPYZIML-BASLNEPJSA-N 1 1 393.488 -0.378 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@H]2O)O1 ZINC001024386867 1072733283 /nfs/dbraw/zinc/73/32/83/1072733283.db2.gz COLHYZZPFRTWIU-DTZQCDIJSA-N 1 1 390.440 -0.968 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@H]2O)O1 ZINC001024386867 1072733274 /nfs/dbraw/zinc/73/32/74/1072733274.db2.gz COLHYZZPFRTWIU-DTZQCDIJSA-N 1 1 390.440 -0.968 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3coc(CC4CC4)n3)C[C@H]2O)O1 ZINC001024386881 1072734074 /nfs/dbraw/zinc/73/40/74/1072734074.db2.gz CXFNDNXMOKPECW-UIBBOPPKSA-N 1 1 392.456 -0.352 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3coc(CC4CC4)n3)C[C@H]2O)O1 ZINC001024386881 1072734070 /nfs/dbraw/zinc/73/40/70/1072734070.db2.gz CXFNDNXMOKPECW-UIBBOPPKSA-N 1 1 392.456 -0.352 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C4CCC4)c3)C[C@H]2O)O1 ZINC001024386894 1072734036 /nfs/dbraw/zinc/73/40/36/1072734036.db2.gz DBVRFCQPXXJEJE-BASLNEPJSA-N 1 1 391.472 -0.371 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C4CCC4)c3)C[C@H]2O)O1 ZINC001024386894 1072734034 /nfs/dbraw/zinc/73/40/34/1072734034.db2.gz DBVRFCQPXXJEJE-BASLNEPJSA-N 1 1 391.472 -0.371 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3coc(C4CCC4)n3)C[C@H]2O)O1 ZINC001024386902 1072733536 /nfs/dbraw/zinc/73/35/36/1072733536.db2.gz DEBGCYSTIMCXTD-UIBBOPPKSA-N 1 1 392.456 -0.037 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3coc(C4CCC4)n3)C[C@H]2O)O1 ZINC001024386902 1072733528 /nfs/dbraw/zinc/73/35/28/1072733528.db2.gz DEBGCYSTIMCXTD-UIBBOPPKSA-N 1 1 392.456 -0.037 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnn3C(F)F)C[C@H]2O)O1 ZINC001024386909 1072733749 /nfs/dbraw/zinc/73/37/49/1072733749.db2.gz DJKINWQLGOBZPW-FPQZTECRSA-N 1 1 387.387 -0.701 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnn3C(F)F)C[C@H]2O)O1 ZINC001024386909 1072733730 /nfs/dbraw/zinc/73/37/30/1072733730.db2.gz DJKINWQLGOBZPW-FPQZTECRSA-N 1 1 387.387 -0.701 20 0 GBADMO COCc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024386914 1072733184 /nfs/dbraw/zinc/73/31/84/1072733184.db2.gz DUFULSWFYXSLCK-BNEJOLLZSA-N 1 1 391.468 -0.146 20 0 GBADMO COCc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024386914 1072733174 /nfs/dbraw/zinc/73/31/74/1072733174.db2.gz DUFULSWFYXSLCK-BNEJOLLZSA-N 1 1 391.468 -0.146 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)C[C@H]2O)O1 ZINC001024386928 1072734022 /nfs/dbraw/zinc/73/40/22/1072734022.db2.gz FIYPNJUZHKNDAA-GAEVZRCVSA-N 1 1 376.457 -0.087 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)C[C@H]2O)O1 ZINC001024386928 1072734019 /nfs/dbraw/zinc/73/40/19/1072734019.db2.gz FIYPNJUZHKNDAA-GAEVZRCVSA-N 1 1 376.457 -0.087 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)C[C@H]2O)O1 ZINC001024386973 1072734009 /nfs/dbraw/zinc/73/40/09/1072734009.db2.gz GJPYHTWTQFYHTG-GAEVZRCVSA-N 1 1 376.457 -0.476 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)C[C@H]2O)O1 ZINC001024386973 1072734007 /nfs/dbraw/zinc/73/40/07/1072734007.db2.gz GJPYHTWTQFYHTG-GAEVZRCVSA-N 1 1 376.457 -0.476 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)n(C)n3)C[C@H]2O)O1 ZINC001024386980 1072733633 /nfs/dbraw/zinc/73/36/33/1072733633.db2.gz GLDDYCHCVRGGEY-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)n(C)n3)C[C@H]2O)O1 ZINC001024386980 1072733623 /nfs/dbraw/zinc/73/36/23/1072733623.db2.gz GLDDYCHCVRGGEY-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024386987 1072734054 /nfs/dbraw/zinc/73/40/54/1072734054.db2.gz GRALTNWHFLAQKE-BASLNEPJSA-N 1 1 393.488 -0.932 20 0 GBADMO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024386987 1072734051 /nfs/dbraw/zinc/73/40/51/1072734051.db2.gz GRALTNWHFLAQKE-BASLNEPJSA-N 1 1 393.488 -0.932 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)nn1 ZINC001024386992 1072733315 /nfs/dbraw/zinc/73/33/15/1072733315.db2.gz GTTJRIJWZKFFCH-RAEVTNRLSA-N 1 1 377.445 -0.886 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)nn1 ZINC001024386992 1072733303 /nfs/dbraw/zinc/73/33/03/1072733303.db2.gz GTTJRIJWZKFFCH-RAEVTNRLSA-N 1 1 377.445 -0.886 20 0 GBADMO Cc1cccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387011 1072733252 /nfs/dbraw/zinc/73/32/52/1072733252.db2.gz HFLKCYJWPZTSSS-VDHUWJSZSA-N 1 1 375.469 -0.055 20 0 GBADMO Cc1cccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387011 1072733241 /nfs/dbraw/zinc/73/32/41/1072733241.db2.gz HFLKCYJWPZTSSS-VDHUWJSZSA-N 1 1 375.469 -0.055 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C(F)F)c3)C[C@H]2O)O1 ZINC001024387017 1072733496 /nfs/dbraw/zinc/73/34/96/1072733496.db2.gz HINCKPUPBSLSCN-OJAKKHQRSA-N 1 1 387.387 -0.701 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C(F)F)c3)C[C@H]2O)O1 ZINC001024387017 1072733492 /nfs/dbraw/zinc/73/34/92/1072733492.db2.gz HINCKPUPBSLSCN-OJAKKHQRSA-N 1 1 387.387 -0.701 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4cnccc4o3)C[C@H]2O)O1 ZINC001024387025 1072733994 /nfs/dbraw/zinc/73/39/94/1072733994.db2.gz HJDXUPQYUANXLH-LSCFUAHRSA-N 1 1 388.424 -0.152 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4cnccc4o3)C[C@H]2O)O1 ZINC001024387025 1072733991 /nfs/dbraw/zinc/73/39/91/1072733991.db2.gz HJDXUPQYUANXLH-LSCFUAHRSA-N 1 1 388.424 -0.152 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2O)O1 ZINC001024387034 1072734015 /nfs/dbraw/zinc/73/40/15/1072734015.db2.gz HKDSKDBZXUZZRH-MWQQHZPXSA-N 1 1 377.441 -0.528 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]2O)O1 ZINC001024387034 1072734013 /nfs/dbraw/zinc/73/40/13/1072734013.db2.gz HKDSKDBZXUZZRH-MWQQHZPXSA-N 1 1 377.441 -0.528 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@H]2O)O1 ZINC001024387070 1072733986 /nfs/dbraw/zinc/73/39/86/1072733986.db2.gz HWNVSMLRQXHGOS-RAEVTNRLSA-N 1 1 376.457 -0.087 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)C[C@H]2O)O1 ZINC001024387070 1072733981 /nfs/dbraw/zinc/73/39/81/1072733981.db2.gz HWNVSMLRQXHGOS-RAEVTNRLSA-N 1 1 376.457 -0.087 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)COc3ccsc3)C[C@H]2O)O1 ZINC001024387088 1072733656 /nfs/dbraw/zinc/73/36/56/1072733656.db2.gz IFBGXNUZRIHRIP-NMFUWQPSSA-N 1 1 383.470 -0.466 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)COc3ccsc3)C[C@H]2O)O1 ZINC001024387088 1072733651 /nfs/dbraw/zinc/73/36/51/1072733651.db2.gz IFBGXNUZRIHRIP-NMFUWQPSSA-N 1 1 383.470 -0.466 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnc3C3CC3)C[C@H]2O)O1 ZINC001024387090 1072733815 /nfs/dbraw/zinc/73/38/15/1072733815.db2.gz IJVSPBORXAVCJC-BASLNEPJSA-N 1 1 388.468 -0.020 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnc3C3CC3)C[C@H]2O)O1 ZINC001024387090 1072733804 /nfs/dbraw/zinc/73/38/04/1072733804.db2.gz IJVSPBORXAVCJC-BASLNEPJSA-N 1 1 388.468 -0.020 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@H]2O)O1 ZINC001024387091 1072734165 /nfs/dbraw/zinc/73/41/65/1072734165.db2.gz ILYSFCBWLIPENI-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@H]2O)O1 ZINC001024387091 1072734157 /nfs/dbraw/zinc/73/41/57/1072734157.db2.gz ILYSFCBWLIPENI-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@H]2O)O1 ZINC001024387104 1072733976 /nfs/dbraw/zinc/73/39/76/1072733976.db2.gz ITDWXTDCRYQURZ-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@H]2O)O1 ZINC001024387104 1072733972 /nfs/dbraw/zinc/73/39/72/1072733972.db2.gz ITDWXTDCRYQURZ-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]2O)O1 ZINC001024387107 1072734001 /nfs/dbraw/zinc/73/40/01/1072734001.db2.gz IVRMKJPYGFUKTN-DDHJBXDOSA-N 1 1 381.395 -0.018 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]2O)O1 ZINC001024387107 1072733998 /nfs/dbraw/zinc/73/39/98/1072733998.db2.gz IVRMKJPYGFUKTN-DDHJBXDOSA-N 1 1 381.395 -0.018 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(N(C)C)c3)C[C@H]2O)O1 ZINC001024387112 1072734030 /nfs/dbraw/zinc/73/40/30/1072734030.db2.gz IWPIKMDCBRLXFX-DTZQCDIJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(N(C)C)c3)C[C@H]2O)O1 ZINC001024387112 1072734028 /nfs/dbraw/zinc/73/40/28/1072734028.db2.gz IWPIKMDCBRLXFX-DTZQCDIJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnoc3C3CC3)C[C@H]2O)O1 ZINC001024387116 1072734108 /nfs/dbraw/zinc/73/41/08/1072734108.db2.gz JBBRIWPJBCYDAO-JUDXGUMMSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnoc3C3CC3)C[C@H]2O)O1 ZINC001024387116 1072734102 /nfs/dbraw/zinc/73/41/02/1072734102.db2.gz JBBRIWPJBCYDAO-JUDXGUMMSA-N 1 1 378.429 -0.427 20 0 GBADMO Cc1cncc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387122 1072733700 /nfs/dbraw/zinc/73/37/00/1072733700.db2.gz JFIXIZSDDDAFSJ-VDHUWJSZSA-N 1 1 390.484 -0.270 20 0 GBADMO Cc1cncc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387122 1072733690 /nfs/dbraw/zinc/73/36/90/1072733690.db2.gz JFIXIZSDDDAFSJ-VDHUWJSZSA-N 1 1 390.484 -0.270 20 0 GBADMO COc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387123 1072733600 /nfs/dbraw/zinc/73/36/00/1072733600.db2.gz JHUKVFACXPSZBB-BASLNEPJSA-N 1 1 377.441 -0.284 20 0 GBADMO COc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387123 1072733587 /nfs/dbraw/zinc/73/35/87/1072733587.db2.gz JHUKVFACXPSZBB-BASLNEPJSA-N 1 1 377.441 -0.284 20 0 GBADMO COc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387125 1072733963 /nfs/dbraw/zinc/73/39/63/1072733963.db2.gz JIAKGVLCNVZBGE-DNNBLBMLSA-N 1 1 377.441 -0.284 20 0 GBADMO COc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387125 1072733960 /nfs/dbraw/zinc/73/39/60/1072733960.db2.gz JIAKGVLCNVZBGE-DNNBLBMLSA-N 1 1 377.441 -0.284 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@H]2O)O1 ZINC001024387126 637369980 /nfs/dbraw/zinc/36/99/80/637369980.db2.gz JJLSQUUNMIZIJP-CNVPUSNMSA-N 1 1 388.877 -0.183 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3csc(Cl)n3)C[C@H]2O)O1 ZINC001024387126 637369977 /nfs/dbraw/zinc/36/99/77/637369977.db2.gz JJLSQUUNMIZIJP-CNVPUSNMSA-N 1 1 388.877 -0.183 20 0 GBADMO CC(C)Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c[nH]1 ZINC001024387128 1072733435 /nfs/dbraw/zinc/73/34/35/1072733435.db2.gz JJSGKYNPVQUREJ-DTZQCDIJSA-N 1 1 393.488 -0.371 20 0 GBADMO CC(C)Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c[nH]1 ZINC001024387128 1072733429 /nfs/dbraw/zinc/73/34/29/1072733429.db2.gz JJSGKYNPVQUREJ-DTZQCDIJSA-N 1 1 393.488 -0.371 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncoc3C3CC3)C[C@H]2O)O1 ZINC001024387131 1072734045 /nfs/dbraw/zinc/73/40/45/1072734045.db2.gz JNQNXVYKNRCBET-FMKGYKFTSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncoc3C3CC3)C[C@H]2O)O1 ZINC001024387131 1072734043 /nfs/dbraw/zinc/73/40/43/1072734043.db2.gz JNQNXVYKNRCBET-FMKGYKFTSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncnc3C3CC3)C[C@H]2O)O1 ZINC001024387151 1072733887 /nfs/dbraw/zinc/73/38/87/1072733887.db2.gz JWYDHICNYBKWMB-RAEVTNRLSA-N 1 1 389.456 -0.625 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncnc3C3CC3)C[C@H]2O)O1 ZINC001024387151 1072733876 /nfs/dbraw/zinc/73/38/76/1072733876.db2.gz JWYDHICNYBKWMB-RAEVTNRLSA-N 1 1 389.456 -0.625 20 0 GBADMO CCOc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)co1 ZINC001024387171 1072734083 /nfs/dbraw/zinc/73/40/83/1072734083.db2.gz KDNTWXMWLLPACG-HBJVGIJOSA-N 1 1 382.417 -0.906 20 0 GBADMO CCOc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)co1 ZINC001024387171 1072734079 /nfs/dbraw/zinc/73/40/79/1072734079.db2.gz KDNTWXMWLLPACG-HBJVGIJOSA-N 1 1 382.417 -0.906 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@H]2O)O1 ZINC001024387175 1072733109 /nfs/dbraw/zinc/73/31/09/1072733109.db2.gz KHYVHMTZKWZSFX-BDQAWRDZSA-N 1 1 389.452 -0.263 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@H]2O)O1 ZINC001024387175 1072733098 /nfs/dbraw/zinc/73/30/98/1072733098.db2.gz KHYVHMTZKWZSFX-BDQAWRDZSA-N 1 1 389.452 -0.263 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc(C)n1 ZINC001024387184 1072733786 /nfs/dbraw/zinc/73/37/86/1072733786.db2.gz KLRWDGHSJFPYQL-MWQQHZPXSA-N 1 1 376.457 -0.281 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc(C)n1 ZINC001024387184 1072733774 /nfs/dbraw/zinc/73/37/74/1072733774.db2.gz KLRWDGHSJFPYQL-MWQQHZPXSA-N 1 1 376.457 -0.281 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n(C)n1 ZINC001024387187 1072734062 /nfs/dbraw/zinc/73/40/62/1072734062.db2.gz KOYXYRDSDBSXFS-UIBBOPPKSA-N 1 1 379.461 -0.997 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n(C)n1 ZINC001024387187 1072734058 /nfs/dbraw/zinc/73/40/58/1072734058.db2.gz KOYXYRDSDBSXFS-UIBBOPPKSA-N 1 1 379.461 -0.997 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]nc3C(C)(C)C)C[C@H]2O)O1 ZINC001024387188 1072733953 /nfs/dbraw/zinc/73/39/53/1072733953.db2.gz KSLXKHWIBHGJCI-NMFUWQPSSA-N 1 1 393.488 -0.272 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]nc3C(C)(C)C)C[C@H]2O)O1 ZINC001024387188 1072733948 /nfs/dbraw/zinc/73/39/48/1072733948.db2.gz KSLXKHWIBHGJCI-NMFUWQPSSA-N 1 1 393.488 -0.272 20 0 GBADMO Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1C ZINC001024387193 1072733146 /nfs/dbraw/zinc/73/31/46/1072733146.db2.gz KWOIYZFFCOVVSC-HMTTWLPMSA-N 1 1 391.472 -0.578 20 0 GBADMO Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1C ZINC001024387193 1072733135 /nfs/dbraw/zinc/73/31/35/1072733135.db2.gz KWOIYZFFCOVVSC-HMTTWLPMSA-N 1 1 391.472 -0.578 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncc4[nH]ccc43)C[C@H]2O)O1 ZINC001024387194 1072733044 /nfs/dbraw/zinc/73/30/44/1072733044.db2.gz KXQYTRXRXWVSAH-GAEVZRCVSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncc4[nH]ccc43)C[C@H]2O)O1 ZINC001024387194 1072733028 /nfs/dbraw/zinc/73/30/28/1072733028.db2.gz KXQYTRXRXWVSAH-GAEVZRCVSA-N 1 1 387.440 -0.417 20 0 GBADMO CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024387259 1072734137 /nfs/dbraw/zinc/73/41/37/1072734137.db2.gz LEVGPHPEZWWFLV-UIBBOPPKSA-N 1 1 379.461 -0.997 20 0 GBADMO CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024387259 1072734127 /nfs/dbraw/zinc/73/41/27/1072734127.db2.gz LEVGPHPEZWWFLV-UIBBOPPKSA-N 1 1 379.461 -0.997 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nccn4c3)C[C@H]2O)O1 ZINC001024387266 1072733513 /nfs/dbraw/zinc/73/35/13/1072733513.db2.gz LKGGXELZJBYGJE-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nccn4c3)C[C@H]2O)O1 ZINC001024387266 1072733504 /nfs/dbraw/zinc/73/35/04/1072733504.db2.gz LKGGXELZJBYGJE-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO CCCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1C ZINC001024387272 1072733566 /nfs/dbraw/zinc/73/35/66/1072733566.db2.gz LTDQIZOAUXSZHG-BASLNEPJSA-N 1 1 393.488 -0.378 20 0 GBADMO CCCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1C ZINC001024387272 1072733556 /nfs/dbraw/zinc/73/35/56/1072733556.db2.gz LTDQIZOAUXSZHG-BASLNEPJSA-N 1 1 393.488 -0.378 20 0 GBADMO CCc1c[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387278 1072733460 /nfs/dbraw/zinc/73/34/60/1072733460.db2.gz LYBFOCBUXVZZFL-RAEVTNRLSA-N 1 1 392.456 -0.630 20 0 GBADMO CCc1c[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387278 1072733456 /nfs/dbraw/zinc/73/34/56/1072733456.db2.gz LYBFOCBUXVZZFL-RAEVTNRLSA-N 1 1 392.456 -0.630 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@H]2O)O1 ZINC001024387282 1072733390 /nfs/dbraw/zinc/73/33/90/1072733390.db2.gz MALOVZJWSGUDFG-JUDXGUMMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@H]2O)O1 ZINC001024387282 1072733382 /nfs/dbraw/zinc/73/33/82/1072733382.db2.gz MALOVZJWSGUDFG-JUDXGUMMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3Cl)C[C@H]2O)O1 ZINC001024387285 1072733363 /nfs/dbraw/zinc/73/33/63/1072733363.db2.gz MGOOQVSLENPQRC-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3Cl)C[C@H]2O)O1 ZINC001024387285 1072733339 /nfs/dbraw/zinc/73/33/39/1072733339.db2.gz MGOOQVSLENPQRC-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc(C)n1 ZINC001024387290 1072733216 /nfs/dbraw/zinc/73/32/16/1072733216.db2.gz MNWKFEVXKXETPW-DTZQCDIJSA-N 1 1 392.456 -0.581 20 0 GBADMO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc(C)n1 ZINC001024387290 1072733206 /nfs/dbraw/zinc/73/32/06/1072733206.db2.gz MNWKFEVXKXETPW-DTZQCDIJSA-N 1 1 392.456 -0.581 20 0 GBADMO CC(C)n1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387291 1072733939 /nfs/dbraw/zinc/73/39/39/1072733939.db2.gz MOLLUVGIQYMAPY-MWQQHZPXSA-N 1 1 393.488 -0.587 20 0 GBADMO CC(C)n1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387291 1072733932 /nfs/dbraw/zinc/73/39/32/1072733932.db2.gz MOLLUVGIQYMAPY-MWQQHZPXSA-N 1 1 393.488 -0.587 20 0 GBADMO CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1C ZINC001024387293 1072734093 /nfs/dbraw/zinc/73/40/93/1072734093.db2.gz MOVUXFYZNNIFTD-RAEVTNRLSA-N 1 1 379.461 -0.768 20 0 GBADMO CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1C ZINC001024387293 1072734089 /nfs/dbraw/zinc/73/40/89/1072734089.db2.gz MOVUXFYZNNIFTD-RAEVTNRLSA-N 1 1 379.461 -0.768 20 0 GBADMO Cc1cnccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387295 1072733850 /nfs/dbraw/zinc/73/38/50/1072733850.db2.gz MQSIPPKCMVWUMH-MWQQHZPXSA-N 1 1 376.457 -0.660 20 0 GBADMO Cc1cnccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387295 1072733838 /nfs/dbraw/zinc/73/38/38/1072733838.db2.gz MQSIPPKCMVWUMH-MWQQHZPXSA-N 1 1 376.457 -0.660 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@H]2O)O1 ZINC001024387298 1072733415 /nfs/dbraw/zinc/73/34/15/1072733415.db2.gz MTVLLLGRRCFFNH-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@H]2O)O1 ZINC001024387298 1072733408 /nfs/dbraw/zinc/73/34/08/1072733408.db2.gz MTVLLLGRRCFFNH-OJAKKHQRSA-N 1 1 385.852 -0.906 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C4CC4)cn3)C[C@H]2O)O1 ZINC001024387301 1072733070 /nfs/dbraw/zinc/73/30/70/1072733070.db2.gz MXZXBLRZDPIAIG-BDQAWRDZSA-N 1 1 388.468 -0.020 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C4CC4)cn3)C[C@H]2O)O1 ZINC001024387301 1072733065 /nfs/dbraw/zinc/73/30/65/1072733065.db2.gz MXZXBLRZDPIAIG-BDQAWRDZSA-N 1 1 388.468 -0.020 20 0 GBADMO CC(C)n1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387302 1072735536 /nfs/dbraw/zinc/73/55/36/1072735536.db2.gz MYJIIYANVCLERP-DTZQCDIJSA-N 1 1 379.461 -0.515 20 0 GBADMO CC(C)n1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387302 1072735533 /nfs/dbraw/zinc/73/55/33/1072735533.db2.gz MYJIIYANVCLERP-DTZQCDIJSA-N 1 1 379.461 -0.515 20 0 GBADMO Cc1nn(C(C)C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387325 1072735243 /nfs/dbraw/zinc/73/52/43/1072735243.db2.gz NSYCITAAFNSOIT-BASLNEPJSA-N 1 1 393.488 -0.207 20 0 GBADMO Cc1nn(C(C)C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387325 1072735237 /nfs/dbraw/zinc/73/52/37/1072735237.db2.gz NSYCITAAFNSOIT-BASLNEPJSA-N 1 1 393.488 -0.207 20 0 GBADMO CC(C)Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024387331 1072735087 /nfs/dbraw/zinc/73/50/87/1072735087.db2.gz NVRFYYWLTQXEHI-MWQQHZPXSA-N 1 1 393.488 -0.440 20 0 GBADMO CC(C)Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024387331 1072735083 /nfs/dbraw/zinc/73/50/83/1072735083.db2.gz NVRFYYWLTQXEHI-MWQQHZPXSA-N 1 1 393.488 -0.440 20 0 GBADMO COc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024387353 1072734774 /nfs/dbraw/zinc/73/47/74/1072734774.db2.gz OFBNXPFOYHWUHS-BNEJOLLZSA-N 1 1 391.468 -0.355 20 0 GBADMO COc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024387353 1072734766 /nfs/dbraw/zinc/73/47/66/1072734766.db2.gz OFBNXPFOYHWUHS-BNEJOLLZSA-N 1 1 391.468 -0.355 20 0 GBADMO CCCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)co1 ZINC001024387405 1072735114 /nfs/dbraw/zinc/73/51/14/1072735114.db2.gz PCQTVRISGRLXGA-QHSBEEBCSA-N 1 1 380.445 -0.352 20 0 GBADMO CCCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)co1 ZINC001024387405 1072735109 /nfs/dbraw/zinc/73/51/09/1072735109.db2.gz PCQTVRISGRLXGA-QHSBEEBCSA-N 1 1 380.445 -0.352 20 0 GBADMO CCc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024387503 1072735058 /nfs/dbraw/zinc/73/50/58/1072735058.db2.gz POFDJJJLEMTNOU-FMKGYKFTSA-N 1 1 380.445 -0.434 20 0 GBADMO CCc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024387503 1072735049 /nfs/dbraw/zinc/73/50/49/1072735049.db2.gz POFDJJJLEMTNOU-FMKGYKFTSA-N 1 1 380.445 -0.434 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc(C)n1 ZINC001024387512 1072735421 /nfs/dbraw/zinc/73/54/21/1072735421.db2.gz QAHXVJNYSFEISG-RAEVTNRLSA-N 1 1 377.445 -0.886 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc(C)n1 ZINC001024387512 1072735414 /nfs/dbraw/zinc/73/54/14/1072735414.db2.gz QAHXVJNYSFEISG-RAEVTNRLSA-N 1 1 377.445 -0.886 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(F)cccc3F)C[C@H]2O)O1 ZINC001024387513 1072734882 /nfs/dbraw/zinc/73/48/82/1072734882.db2.gz QBQHPSRBCQWKRR-JUDXGUMMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(F)cccc3F)C[C@H]2O)O1 ZINC001024387513 1072734868 /nfs/dbraw/zinc/73/48/68/1072734868.db2.gz QBQHPSRBCQWKRR-JUDXGUMMSA-N 1 1 383.395 -0.015 20 0 GBADMO CCCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024387517 1072735513 /nfs/dbraw/zinc/73/55/13/1072735513.db2.gz QDXRYHNAIASIGC-ODVANORSSA-N 1 1 393.488 -0.607 20 0 GBADMO CCCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cnn1C ZINC001024387517 1072735511 /nfs/dbraw/zinc/73/55/11/1072735511.db2.gz QDXRYHNAIASIGC-ODVANORSSA-N 1 1 393.488 -0.607 20 0 GBADMO CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387519 1072735164 /nfs/dbraw/zinc/73/51/64/1072735164.db2.gz QEDMTRHVGXVLDM-DTZQCDIJSA-N 1 1 392.456 -0.499 20 0 GBADMO CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387519 1072735157 /nfs/dbraw/zinc/73/51/57/1072735157.db2.gz QEDMTRHVGXVLDM-DTZQCDIJSA-N 1 1 392.456 -0.499 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)C[C@H]2O)O1 ZINC001024387526 1072734845 /nfs/dbraw/zinc/73/48/45/1072734845.db2.gz QHBBXNJPAFBFEU-BDQAWRDZSA-N 1 1 390.484 -0.086 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)C[C@H]2O)O1 ZINC001024387526 1072734832 /nfs/dbraw/zinc/73/48/32/1072734832.db2.gz QHBBXNJPAFBFEU-BDQAWRDZSA-N 1 1 390.484 -0.086 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4ccnc34)C[C@H]2O)O1 ZINC001024387532 1072734624 /nfs/dbraw/zinc/73/46/24/1072734624.db2.gz QJOBITHPHKBZGB-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4ccnc34)C[C@H]2O)O1 ZINC001024387532 1072734617 /nfs/dbraw/zinc/73/46/17/1072734617.db2.gz QJOBITHPHKBZGB-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4nccc34)C[C@H]2O)O1 ZINC001024387533 1072735071 /nfs/dbraw/zinc/73/50/71/1072735071.db2.gz QKBCWIQUTFBKJQ-ODVANORSSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4nccc34)C[C@H]2O)O1 ZINC001024387533 1072735067 /nfs/dbraw/zinc/73/50/67/1072735067.db2.gz QKBCWIQUTFBKJQ-ODVANORSSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncccc3Cl)C[C@H]2O)O1 ZINC001024387539 1072735504 /nfs/dbraw/zinc/73/55/04/1072735504.db2.gz QSBQDXIZLOUEFL-FMKGYKFTSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncccc3Cl)C[C@H]2O)O1 ZINC001024387539 1072735498 /nfs/dbraw/zinc/73/54/98/1072735498.db2.gz QSBQDXIZLOUEFL-FMKGYKFTSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c4cccnc34)C[C@H]2O)O1 ZINC001024387543 1072735191 /nfs/dbraw/zinc/73/51/91/1072735191.db2.gz RCPJCQFPRLZCFN-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c4cccnc34)C[C@H]2O)O1 ZINC001024387543 1072735184 /nfs/dbraw/zinc/73/51/84/1072735184.db2.gz RCPJCQFPRLZCFN-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001024387545 1072735396 /nfs/dbraw/zinc/73/53/96/1072735396.db2.gz RFGBHCIOGYDSNI-HMTTWLPMSA-N 1 1 377.445 -0.886 20 0 GBADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001024387545 1072735391 /nfs/dbraw/zinc/73/53/91/1072735391.db2.gz RFGBHCIOGYDSNI-HMTTWLPMSA-N 1 1 377.445 -0.886 20 0 GBADMO COc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387553 1072734808 /nfs/dbraw/zinc/73/48/08/1072734808.db2.gz RVJMIIMRHUZBHV-NMFUWQPSSA-N 1 1 378.429 -0.889 20 0 GBADMO COc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387553 1072734799 /nfs/dbraw/zinc/73/47/99/1072734799.db2.gz RVJMIIMRHUZBHV-NMFUWQPSSA-N 1 1 378.429 -0.889 20 0 GBADMO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cnn1C(C)C ZINC001024387556 1072735150 /nfs/dbraw/zinc/73/51/50/1072735150.db2.gz RZCPEVWJAKHGIA-BASLNEPJSA-N 1 1 393.488 -0.207 20 0 GBADMO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cnn1C(C)C ZINC001024387556 1072735145 /nfs/dbraw/zinc/73/51/45/1072735145.db2.gz RZCPEVWJAKHGIA-BASLNEPJSA-N 1 1 393.488 -0.207 20 0 GBADMO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024387559 1072735210 /nfs/dbraw/zinc/73/52/10/1072735210.db2.gz SDLSHUQDQVFSEO-BASLNEPJSA-N 1 1 377.441 -0.284 20 0 GBADMO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024387559 1072735201 /nfs/dbraw/zinc/73/52/01/1072735201.db2.gz SDLSHUQDQVFSEO-BASLNEPJSA-N 1 1 377.441 -0.284 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)cn3)C[C@H]2O)O1 ZINC001024387562 1072735228 /nfs/dbraw/zinc/73/52/28/1072735228.db2.gz SHXYQFVJDCTJEF-JUDXGUMMSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)cn3)C[C@H]2O)O1 ZINC001024387562 1072735221 /nfs/dbraw/zinc/73/52/21/1072735221.db2.gz SHXYQFVJDCTJEF-JUDXGUMMSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@H]2O)O1 ZINC001024387563 1072735132 /nfs/dbraw/zinc/73/51/32/1072735132.db2.gz SJYNKLANQYJMGS-BDQAWRDZSA-N 1 1 388.468 -0.020 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)C[C@H]2O)O1 ZINC001024387563 1072735124 /nfs/dbraw/zinc/73/51/24/1072735124.db2.gz SJYNKLANQYJMGS-BDQAWRDZSA-N 1 1 388.468 -0.020 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3csc4cncn43)C[C@H]2O)O1 ZINC001024387570 1072734514 /nfs/dbraw/zinc/73/45/14/1072734514.db2.gz SVUYCFCAFJACLJ-HBJVGIJOSA-N 1 1 393.469 -0.584 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3csc4cncn43)C[C@H]2O)O1 ZINC001024387570 1072734508 /nfs/dbraw/zinc/73/45/08/1072734508.db2.gz SVUYCFCAFJACLJ-HBJVGIJOSA-N 1 1 393.469 -0.584 20 0 GBADMO Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387575 1072734570 /nfs/dbraw/zinc/73/45/70/1072734570.db2.gz UBJFOORJSKSRCJ-NMFUWQPSSA-N 1 1 393.488 -0.138 20 0 GBADMO Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387575 1072734565 /nfs/dbraw/zinc/73/45/65/1072734565.db2.gz UBJFOORJSKSRCJ-NMFUWQPSSA-N 1 1 393.488 -0.138 20 0 GBADMO Cc1[nH]nc(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387575 1072734558 /nfs/dbraw/zinc/73/45/58/1072734558.db2.gz UBJFOORJSKSRCJ-NMFUWQPSSA-N 1 1 393.488 -0.138 20 0 GBADMO Cc1[nH]nc(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387575 1072734552 /nfs/dbraw/zinc/73/45/52/1072734552.db2.gz UBJFOORJSKSRCJ-NMFUWQPSSA-N 1 1 393.488 -0.138 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(F)cncc3F)C[C@H]2O)O1 ZINC001024387576 1072735039 /nfs/dbraw/zinc/73/50/39/1072735039.db2.gz UBPIWBFPVNVOOU-ICGCDAGXSA-N 1 1 384.383 -0.620 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(F)cncc3F)C[C@H]2O)O1 ZINC001024387576 1072735032 /nfs/dbraw/zinc/73/50/32/1072735032.db2.gz UBPIWBFPVNVOOU-ICGCDAGXSA-N 1 1 384.383 -0.620 20 0 GBADMO COc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387580 1072735296 /nfs/dbraw/zinc/73/52/96/1072735296.db2.gz UGPUMNFTBHYYMY-RGCMKSIDSA-N 1 1 378.429 -0.889 20 0 GBADMO COc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387580 1072735290 /nfs/dbraw/zinc/73/52/90/1072735290.db2.gz UGPUMNFTBHYYMY-RGCMKSIDSA-N 1 1 378.429 -0.889 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3C3CC3)C[C@H]2O)O1 ZINC001024387581 1072735004 /nfs/dbraw/zinc/73/50/04/1072735004.db2.gz UHAKNVRBXYCXAY-RAEVTNRLSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3C3CC3)C[C@H]2O)O1 ZINC001024387581 1072734999 /nfs/dbraw/zinc/73/49/99/1072734999.db2.gz UHAKNVRBXYCXAY-RAEVTNRLSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2O)O1 ZINC001024387582 1072734678 /nfs/dbraw/zinc/73/46/78/1072734678.db2.gz UHSMOKOSSBUCJT-BNEJOLLZSA-N 1 1 390.484 -0.227 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2O)O1 ZINC001024387582 1072734671 /nfs/dbraw/zinc/73/46/71/1072734671.db2.gz UHSMOKOSSBUCJT-BNEJOLLZSA-N 1 1 390.484 -0.227 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@H]2O)O1 ZINC001024387586 1072734950 /nfs/dbraw/zinc/73/49/50/1072734950.db2.gz UPGUSHNZGLOEKR-JUDXGUMMSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@H]2O)O1 ZINC001024387586 1072734944 /nfs/dbraw/zinc/73/49/44/1072734944.db2.gz UPGUSHNZGLOEKR-JUDXGUMMSA-N 1 1 382.848 -0.244 20 0 GBADMO CCc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387587 1072735317 /nfs/dbraw/zinc/73/53/17/1072735317.db2.gz URCXCTNVQUNZNG-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO CCc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024387587 1072735311 /nfs/dbraw/zinc/73/53/11/1072735311.db2.gz URCXCTNVQUNZNG-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)C[C@H]2O)O1 ZINC001024387590 1072735446 /nfs/dbraw/zinc/73/54/46/1072735446.db2.gz UXLBKVHVRCIABE-RAEVTNRLSA-N 1 1 389.456 -0.625 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)C[C@H]2O)O1 ZINC001024387590 1072735436 /nfs/dbraw/zinc/73/54/36/1072735436.db2.gz UXLBKVHVRCIABE-RAEVTNRLSA-N 1 1 389.456 -0.625 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3CCCC4)C[C@H]2O)O1 ZINC001024387701 1072735522 /nfs/dbraw/zinc/73/55/22/1072735522.db2.gz VKWGGALMLJYSIE-ODVANORSSA-N 1 1 391.472 -0.760 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3CCCC4)C[C@H]2O)O1 ZINC001024387701 1072735517 /nfs/dbraw/zinc/73/55/17/1072735517.db2.gz VKWGGALMLJYSIE-ODVANORSSA-N 1 1 391.472 -0.760 20 0 GBADMO CC(C)c1ocnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387709 1072735019 /nfs/dbraw/zinc/73/50/19/1072735019.db2.gz VPAXUTDDJFLLJL-AAVRWANBSA-N 1 1 380.445 -0.181 20 0 GBADMO CC(C)c1ocnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387709 1072735017 /nfs/dbraw/zinc/73/50/17/1072735017.db2.gz VPAXUTDDJFLLJL-AAVRWANBSA-N 1 1 380.445 -0.181 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(CC4CC4)c3)C[C@H]2O)O1 ZINC001024387715 1072734595 /nfs/dbraw/zinc/73/45/95/1072734595.db2.gz WAFXWGIITMSVOJ-BASLNEPJSA-N 1 1 391.472 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WMNYVFBKJZKWML-GAEVZRCVSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cnn(C)c3)C[C@H]2O)O1 ZINC001024387735 1072735571 /nfs/dbraw/zinc/73/55/71/1072735571.db2.gz XFZVCDMQWZEMMA-DTZQCDIJSA-N 1 1 393.488 -0.895 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cnn(C)c3)C[C@H]2O)O1 ZINC001024387735 1072735563 /nfs/dbraw/zinc/73/55/63/1072735563.db2.gz XFZVCDMQWZEMMA-DTZQCDIJSA-N 1 1 393.488 -0.895 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(C(F)F)n3)C[C@H]2O)O1 ZINC001024387737 1072734538 /nfs/dbraw/zinc/73/45/38/1072734538.db2.gz XHYSCDWXSIFCED-OJAKKHQRSA-N 1 1 387.387 -0.701 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(C(F)F)n3)C[C@H]2O)O1 ZINC001024387737 1072734533 /nfs/dbraw/zinc/73/45/33/1072734533.db2.gz XHYSCDWXSIFCED-OJAKKHQRSA-N 1 1 387.387 -0.701 20 0 GBADMO CC(C)n1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024387741 1072735465 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ZINC001024387751 1072735548 /nfs/dbraw/zinc/73/55/48/1072735548.db2.gz YBFIOHTXADIRDQ-BASLNEPJSA-N 1 1 379.432 -0.225 20 0 GBADMO COc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387762 1072734925 /nfs/dbraw/zinc/73/49/25/1072734925.db2.gz YJPZWYSTMIWZCX-NMFUWQPSSA-N 1 1 378.429 -0.889 20 0 GBADMO COc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024387762 1072734920 /nfs/dbraw/zinc/73/49/20/1072734920.db2.gz YJPZWYSTMIWZCX-NMFUWQPSSA-N 1 1 378.429 -0.889 20 0 GBADMO Cc1oc(C2CC2)nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024387764 1072735366 /nfs/dbraw/zinc/73/53/66/1072735366.db2.gz YKZQRCLSVPNDBJ-JUDXGUMMSA-N 1 1 392.456 -0.119 20 0 GBADMO Cc1oc(C2CC2)nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024387764 1072735356 /nfs/dbraw/zinc/73/53/56/1072735356.db2.gz YKZQRCLSVPNDBJ-JUDXGUMMSA-N 1 1 392.456 -0.119 20 0 GBADMO 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380.445 -0.352 20 0 GBADMO CCCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024387771 1072735097 /nfs/dbraw/zinc/73/50/97/1072735097.db2.gz YSBYIYTWNYEPRK-RAEVTNRLSA-N 1 1 380.445 -0.352 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@H]2O)O1 ZINC001024387788 1072736157 /nfs/dbraw/zinc/73/61/57/1072736157.db2.gz YZIUQBOMELXCHB-JUDXGUMMSA-N 1 1 377.445 -0.692 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@H]2O)O1 ZINC001024387788 1072736148 /nfs/dbraw/zinc/73/61/48/1072736148.db2.gz YZIUQBOMELXCHB-JUDXGUMMSA-N 1 1 377.445 -0.692 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n(C)n1 ZINC001024387791 1072736082 /nfs/dbraw/zinc/73/60/82/1072736082.db2.gz ZDHYWELKABQBTL-ODVANORSSA-N 1 1 393.488 -0.436 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n(C)n1 ZINC001024387791 1072736077 /nfs/dbraw/zinc/73/60/77/1072736077.db2.gz 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392.456 -0.119 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)nn1 ZINC001024389246 1072736349 /nfs/dbraw/zinc/73/63/49/1072736349.db2.gz BVUWHBQDXXDENB-GAEVZRCVSA-N 1 1 391.472 -0.632 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)nn1 ZINC001024389246 1072736343 /nfs/dbraw/zinc/73/63/43/1072736343.db2.gz BVUWHBQDXXDENB-GAEVZRCVSA-N 1 1 391.472 -0.632 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccncc3Cl)C[C@H]2O)O1 ZINC001024389247 1072736543 /nfs/dbraw/zinc/73/65/43/1072736543.db2.gz BVWSYDMWYLHLIT-JUDXGUMMSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccncc3Cl)C[C@H]2O)O1 ZINC001024389247 1072736532 /nfs/dbraw/zinc/73/65/32/1072736532.db2.gz BVWSYDMWYLHLIT-JUDXGUMMSA-N 1 1 382.848 -0.244 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(CF)CCOCC3)C[C@H]2O)O1 ZINC001024389249 1072736506 /nfs/dbraw/zinc/73/65/06/1072736506.db2.gz BXMNSLSKRKSWPZ-KBUPBQIOSA-N 1 1 387.452 -0.840 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(CF)CCOCC3)C[C@H]2O)O1 ZINC001024389249 1072736504 /nfs/dbraw/zinc/73/65/04/1072736504.db2.gz BXMNSLSKRKSWPZ-KBUPBQIOSA-N 1 1 387.452 -0.840 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]2O)O1 ZINC001024389253 1072736494 /nfs/dbraw/zinc/73/64/94/1072736494.db2.gz CDNIZHSROLOPMS-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]2O)O1 ZINC001024389253 1072736490 /nfs/dbraw/zinc/73/64/90/1072736490.db2.gz CDNIZHSROLOPMS-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO Cc1cncc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389256 1072736261 /nfs/dbraw/zinc/73/62/61/1072736261.db2.gz CHWUWOHIEDDFHT-MWQQHZPXSA-N 1 1 376.457 -0.660 20 0 GBADMO Cc1cncc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389256 1072736247 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1072736181 /nfs/dbraw/zinc/73/61/81/1072736181.db2.gz CLKABORGHYTJIW-AAVRWANBSA-N 1 1 382.486 -0.517 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3nccs3)C[C@H]2O)O1 ZINC001024389259 1072736174 /nfs/dbraw/zinc/73/61/74/1072736174.db2.gz CLKABORGHYTJIW-AAVRWANBSA-N 1 1 382.486 -0.517 20 0 GBADMO Cc1onc(C2CC2)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389263 1072736103 /nfs/dbraw/zinc/73/61/03/1072736103.db2.gz CQVZPQBOHWSTGN-JUDXGUMMSA-N 1 1 392.456 -0.119 20 0 GBADMO Cc1onc(C2CC2)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389263 1072736096 /nfs/dbraw/zinc/73/60/96/1072736096.db2.gz CQVZPQBOHWSTGN-JUDXGUMMSA-N 1 1 392.456 -0.119 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@H]2O)O1 ZINC001024389265 1072736711 /nfs/dbraw/zinc/73/67/11/1072736711.db2.gz CRUAIBQUQXPAER-RAEVTNRLSA-N 1 1 377.441 -0.211 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3occ4c3CCC4)C[C@H]2O)O1 ZINC001024389265 1072736705 /nfs/dbraw/zinc/73/67/05/1072736705.db2.gz CRUAIBQUQXPAER-RAEVTNRLSA-N 1 1 377.441 -0.211 20 0 GBADMO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sc1C ZINC001024389291 1072736453 /nfs/dbraw/zinc/73/64/53/1072736453.db2.gz DHPLFTSRTXUGAW-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sc1C ZINC001024389291 1072736448 /nfs/dbraw/zinc/73/64/48/1072736448.db2.gz DHPLFTSRTXUGAW-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO Cc1nn(C)cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389295 1072736420 /nfs/dbraw/zinc/73/64/20/1072736420.db2.gz DJHLLJYUYCRUIX-BASLNEPJSA-N 1 1 393.488 -0.932 20 0 GBADMO Cc1nn(C)cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389295 1072736408 /nfs/dbraw/zinc/73/64/08/1072736408.db2.gz DJHLLJYUYCRUIX-BASLNEPJSA-N 1 1 393.488 -0.932 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)C[C@H]2O)O1 ZINC001024389304 1072735842 /nfs/dbraw/zinc/73/58/42/1072735842.db2.gz DOCYQAVJBUJQJX-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)C[C@H]2O)O1 ZINC001024389304 1072735831 /nfs/dbraw/zinc/73/58/31/1072735831.db2.gz DOCYQAVJBUJQJX-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO COCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024389320 1072736746 /nfs/dbraw/zinc/73/67/46/1072736746.db2.gz FATSKMPADYIUKO-XKVFNRALSA-N 1 1 381.429 -0.553 20 0 GBADMO COCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024389320 1072736740 /nfs/dbraw/zinc/73/67/40/1072736740.db2.gz FATSKMPADYIUKO-XKVFNRALSA-N 1 1 381.429 -0.553 20 0 GBADMO Cc1nsc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389325 1072736780 /nfs/dbraw/zinc/73/67/80/1072736780.db2.gz FCLVVBAHUYINNR-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO Cc1nsc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389325 1072736773 /nfs/dbraw/zinc/73/67/73/1072736773.db2.gz FCLVVBAHUYINNR-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001024389332 1072736056 /nfs/dbraw/zinc/73/60/56/1072736056.db2.gz FJSPRCIHRYNQNP-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001024389332 1072736053 /nfs/dbraw/zinc/73/60/53/1072736053.db2.gz FJSPRCIHRYNQNP-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4cccn4cn3)C[C@H]2O)O1 ZINC001024389336 1072735981 /nfs/dbraw/zinc/73/59/81/1072735981.db2.gz FMUOGZQVDFINRA-BASLNEPJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4cccn4cn3)C[C@H]2O)O1 ZINC001024389336 1072735979 /nfs/dbraw/zinc/73/59/79/1072735979.db2.gz FMUOGZQVDFINRA-BASLNEPJSA-N 1 1 387.440 -0.645 20 0 GBADMO COc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389337 1072736666 /nfs/dbraw/zinc/73/66/66/1072736666.db2.gz FQYVEXQWVNGBME-GFOCRRMGSA-N 1 1 391.468 -0.355 20 0 GBADMO COc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389337 1072736659 /nfs/dbraw/zinc/73/66/59/1072736659.db2.gz FQYVEXQWVNGBME-GFOCRRMGSA-N 1 1 391.468 -0.355 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4ccccc4n3)C[C@H]2O)O1 ZINC001024389345 1072736293 /nfs/dbraw/zinc/73/62/93/1072736293.db2.gz FXEMNPFOOGUIEY-RRCSTGOVSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4ccccc4n3)C[C@H]2O)O1 ZINC001024389345 1072736283 /nfs/dbraw/zinc/73/62/83/1072736283.db2.gz FXEMNPFOOGUIEY-RRCSTGOVSA-N 1 1 387.440 -0.645 20 0 GBADMO CC(C)c1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389431 1072736616 /nfs/dbraw/zinc/73/66/16/1072736616.db2.gz GHFJGCJGFKIISG-KLHDSHLOSA-N 1 1 393.488 -0.587 20 0 GBADMO CC(C)c1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389431 1072736612 /nfs/dbraw/zinc/73/66/12/1072736612.db2.gz GHFJGCJGFKIISG-KLHDSHLOSA-N 1 1 393.488 -0.587 20 0 GBADMO CC(C)c1ncncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389436 1072736518 /nfs/dbraw/zinc/73/65/18/1072736518.db2.gz GLQLESWVWJXAHA-DTZQCDIJSA-N 1 1 391.472 -0.379 20 0 GBADMO CC(C)c1ncncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389436 1072736512 /nfs/dbraw/zinc/73/65/12/1072736512.db2.gz GLQLESWVWJXAHA-DTZQCDIJSA-N 1 1 391.472 -0.379 20 0 GBADMO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)s1 ZINC001024389437 1072735969 /nfs/dbraw/zinc/73/59/69/1072735969.db2.gz GLRABVQKSNOJTB-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)s1 ZINC001024389437 1072735963 /nfs/dbraw/zinc/73/59/63/1072735963.db2.gz GLRABVQKSNOJTB-ICGCDAGXSA-N 1 1 382.486 -0.219 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2O)O1 ZINC001024389440 1072737261 /nfs/dbraw/zinc/73/72/61/1072737261.db2.gz GMNLSDOTVPHOPF-RAEVTNRLSA-N 1 1 376.457 -0.087 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@H]2O)O1 ZINC001024389440 1072737252 /nfs/dbraw/zinc/73/72/52/1072737252.db2.gz GMNLSDOTVPHOPF-RAEVTNRLSA-N 1 1 376.457 -0.087 20 0 GBADMO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024389445 1072737877 /nfs/dbraw/zinc/73/78/77/1072737877.db2.gz GREWBKORURMQAI-NMFUWQPSSA-N 1 1 378.429 -0.889 20 0 GBADMO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024389445 1072737868 /nfs/dbraw/zinc/73/78/68/1072737868.db2.gz GREWBKORURMQAI-NMFUWQPSSA-N 1 1 378.429 -0.889 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@H]2O)O1 ZINC001024389446 1072737448 /nfs/dbraw/zinc/73/74/48/1072737448.db2.gz GRYNGSSOPIIVQD-DSPGLSBSSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@H]2O)O1 ZINC001024389446 1072737441 /nfs/dbraw/zinc/73/74/41/1072737441.db2.gz GRYNGSSOPIIVQD-DSPGLSBSSA-N 1 1 378.429 -0.427 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]n1 ZINC001024389452 1072737606 /nfs/dbraw/zinc/73/76/06/1072737606.db2.gz HCHVZAYALKLMKO-RAEVTNRLSA-N 1 1 379.461 -0.446 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]n1 ZINC001024389452 1072737600 /nfs/dbraw/zinc/73/76/00/1072737600.db2.gz HCHVZAYALKLMKO-RAEVTNRLSA-N 1 1 379.461 -0.446 20 0 GBADMO CCc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389453 1072737368 /nfs/dbraw/zinc/73/73/68/1072737368.db2.gz HCYRQECHWTYDGW-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO CCc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389453 1072737364 /nfs/dbraw/zinc/73/73/64/1072737364.db2.gz HCYRQECHWTYDGW-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001024389454 1072738023 /nfs/dbraw/zinc/73/80/23/1072738023.db2.gz HDJXAZKJBLYPOX-HKUMRIAESA-N 1 1 382.417 -0.906 20 0 GBADMO CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001024389454 1072738013 /nfs/dbraw/zinc/73/80/13/1072738013.db2.gz HDJXAZKJBLYPOX-HKUMRIAESA-N 1 1 382.417 -0.906 20 0 GBADMO CCc1nnc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389461 1072737322 /nfs/dbraw/zinc/73/73/22/1072737322.db2.gz HGQCMORYAHHQFK-BASLNEPJSA-N 1 1 391.472 -0.632 20 0 GBADMO CCc1nnc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389461 1072737315 /nfs/dbraw/zinc/73/73/15/1072737315.db2.gz HGQCMORYAHHQFK-BASLNEPJSA-N 1 1 391.472 -0.632 20 0 GBADMO CC(C)c1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389463 1072737542 /nfs/dbraw/zinc/73/75/42/1072737542.db2.gz HIQAQDGNIWIZDJ-DTZQCDIJSA-N 1 1 393.488 -0.436 20 0 GBADMO CC(C)c1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389463 1072737536 /nfs/dbraw/zinc/73/75/36/1072737536.db2.gz HIQAQDGNIWIZDJ-DTZQCDIJSA-N 1 1 393.488 -0.436 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc4n3CCCC4)C[C@H]2O)O1 ZINC001024389464 1072737126 /nfs/dbraw/zinc/73/71/26/1072737126.db2.gz HJAPCJBTJKGYKC-DTZQCDIJSA-N 1 1 391.472 -0.760 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc4n3CCCC4)C[C@H]2O)O1 ZINC001024389464 1072737116 /nfs/dbraw/zinc/73/71/16/1072737116.db2.gz HJAPCJBTJKGYKC-DTZQCDIJSA-N 1 1 391.472 -0.760 20 0 GBADMO Cc1ccccc1OCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389465 1072738108 /nfs/dbraw/zinc/73/81/08/1072738108.db2.gz HJMOVIYHGVUODW-YFHUEUNASA-N 1 1 391.468 -0.219 20 0 GBADMO Cc1ccccc1OCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389465 1072738098 /nfs/dbraw/zinc/73/80/98/1072738098.db2.gz HJMOVIYHGVUODW-YFHUEUNASA-N 1 1 391.468 -0.219 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@H]2O)O1 ZINC001024389472 1072737565 /nfs/dbraw/zinc/73/75/65/1072737565.db2.gz HQCBVJYMCKLLMC-BYNBJNPRSA-N 1 1 387.480 -0.192 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@H]2O)O1 ZINC001024389472 1072737557 /nfs/dbraw/zinc/73/75/57/1072737557.db2.gz HQCBVJYMCKLLMC-BYNBJNPRSA-N 1 1 387.480 -0.192 20 0 GBADMO Cc1cc(C)nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389473 1072737291 /nfs/dbraw/zinc/73/72/91/1072737291.db2.gz HRZNCILXWOBHGW-MWQQHZPXSA-N 1 1 376.457 -0.281 20 0 GBADMO Cc1cc(C)nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389473 1072737281 /nfs/dbraw/zinc/73/72/81/1072737281.db2.gz HRZNCILXWOBHGW-MWQQHZPXSA-N 1 1 376.457 -0.281 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)C[C@H]2O)O1 ZINC001024389474 1072738194 /nfs/dbraw/zinc/73/81/94/1072738194.db2.gz HSDIZFJLJQWGLI-RAEVTNRLSA-N 1 1 389.456 -0.625 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)C[C@H]2O)O1 ZINC001024389474 1072738180 /nfs/dbraw/zinc/73/81/80/1072738180.db2.gz HSDIZFJLJQWGLI-RAEVTNRLSA-N 1 1 389.456 -0.625 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2O)O1 ZINC001024389480 1072737763 /nfs/dbraw/zinc/73/77/63/1072737763.db2.gz HWSBLXGGFOAUSX-BASLNEPJSA-N 1 1 391.472 -0.760 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2O)O1 ZINC001024389480 1072737754 /nfs/dbraw/zinc/73/77/54/1072737754.db2.gz HWSBLXGGFOAUSX-BASLNEPJSA-N 1 1 391.472 -0.760 20 0 GBADMO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001024389484 1072737816 /nfs/dbraw/zinc/73/78/16/1072737816.db2.gz IAAQMEASEVKJNI-DDHJBXDOSA-N 1 1 384.458 -0.828 20 0 GBADMO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001024389484 1072737806 /nfs/dbraw/zinc/73/78/06/1072737806.db2.gz IAAQMEASEVKJNI-DDHJBXDOSA-N 1 1 384.458 -0.828 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)C[C@H]2O)O1 ZINC001024389492 1072738059 /nfs/dbraw/zinc/73/80/59/1072738059.db2.gz IJCOVXOGKOKXOZ-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)C[C@H]2O)O1 ZINC001024389492 1072738052 /nfs/dbraw/zinc/73/80/52/1072738052.db2.gz IJCOVXOGKOKXOZ-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc(Cl)s3)C[C@H]2O)O1 ZINC001024389495 637370114 /nfs/dbraw/zinc/37/01/14/637370114.db2.gz IMMIEEICQXCGOP-GWOFURMSSA-N 1 1 388.877 -0.183 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc(Cl)s3)C[C@H]2O)O1 ZINC001024389495 637370109 /nfs/dbraw/zinc/37/01/09/637370109.db2.gz IMMIEEICQXCGOP-GWOFURMSSA-N 1 1 388.877 -0.183 20 0 GBADMO COCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024389496 1072738088 /nfs/dbraw/zinc/73/80/88/1072738088.db2.gz IPGDXSMUKUSMHN-BNEJOLLZSA-N 1 1 391.468 -0.146 20 0 GBADMO COCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024389496 1072738083 /nfs/dbraw/zinc/73/80/83/1072738083.db2.gz IPGDXSMUKUSMHN-BNEJOLLZSA-N 1 1 391.468 -0.146 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024389501 1072738134 /nfs/dbraw/zinc/73/81/34/1072738134.db2.gz IZLIBUBTBJCCFX-XKVFNRALSA-N 1 1 380.445 -0.181 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024389501 1072738125 /nfs/dbraw/zinc/73/81/25/1072738125.db2.gz IZLIBUBTBJCCFX-XKVFNRALSA-N 1 1 380.445 -0.181 20 0 GBADMO CCn1nc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389504 1072737960 /nfs/dbraw/zinc/73/79/60/1072737960.db2.gz JEXHZZBMCZQDDC-RRCSTGOVSA-N 1 1 379.461 -0.768 20 0 GBADMO CCn1nc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389504 1072737953 /nfs/dbraw/zinc/73/79/53/1072737953.db2.gz JEXHZZBMCZQDDC-RRCSTGOVSA-N 1 1 379.461 -0.768 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCOC4)C[C@H]2O)O1 ZINC001024389506 1072737476 /nfs/dbraw/zinc/73/74/76/1072737476.db2.gz JIPCGWBWHJRGMV-GAEVZRCVSA-N 1 1 392.456 -0.892 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]3)CCOC4)C[C@H]2O)O1 ZINC001024389506 1072737464 /nfs/dbraw/zinc/73/74/64/1072737464.db2.gz JIPCGWBWHJRGMV-GAEVZRCVSA-N 1 1 392.456 -0.892 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2O)O1 ZINC001024389508 1072737846 /nfs/dbraw/zinc/73/78/46/1072737846.db2.gz JLNIZVBBMYGNBU-HALQFCHDSA-N 1 1 389.452 -0.358 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2O)O1 ZINC001024389508 1072737834 /nfs/dbraw/zinc/73/78/34/1072737834.db2.gz JLNIZVBBMYGNBU-HALQFCHDSA-N 1 1 389.452 -0.358 20 0 GBADMO COc1cccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389510 1072737584 /nfs/dbraw/zinc/73/75/84/1072737584.db2.gz JMSWYBMDGTYXHS-BNEJOLLZSA-N 1 1 391.468 -0.355 20 0 GBADMO COc1cccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389510 1072737578 /nfs/dbraw/zinc/73/75/78/1072737578.db2.gz JMSWYBMDGTYXHS-BNEJOLLZSA-N 1 1 391.468 -0.355 20 0 GBADMO CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389511 1072738074 /nfs/dbraw/zinc/73/80/74/1072738074.db2.gz JNFMHYCFCBJJJQ-JUDXGUMMSA-N 1 1 380.445 -0.434 20 0 GBADMO CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389511 1072738069 /nfs/dbraw/zinc/73/80/69/1072738069.db2.gz JNFMHYCFCBJJJQ-JUDXGUMMSA-N 1 1 380.445 -0.434 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2O)O1 ZINC001024389512 1072737704 /nfs/dbraw/zinc/73/77/04/1072737704.db2.gz JSFZVCKBGUYXBD-MWQQHZPXSA-N 1 1 376.457 -0.579 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2O)O1 ZINC001024389512 1072737697 /nfs/dbraw/zinc/73/76/97/1072737697.db2.gz JSFZVCKBGUYXBD-MWQQHZPXSA-N 1 1 376.457 -0.579 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2O)O1 ZINC001024389514 1072737346 /nfs/dbraw/zinc/73/73/46/1072737346.db2.gz JTJYSDYMWSDSDY-HMTTWLPMSA-N 1 1 377.445 -0.692 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2O)O1 ZINC001024389514 1072737337 /nfs/dbraw/zinc/73/73/37/1072737337.db2.gz JTJYSDYMWSDSDY-HMTTWLPMSA-N 1 1 377.445 -0.692 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4c3OCC4)C[C@H]2O)O1 ZINC001024389515 1072737400 /nfs/dbraw/zinc/73/74/00/1072737400.db2.gz JTODIMOZQNYCKD-BASLNEPJSA-N 1 1 389.452 -0.358 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4c3OCC4)C[C@H]2O)O1 ZINC001024389515 1072737396 /nfs/dbraw/zinc/73/73/96/1072737396.db2.gz JTODIMOZQNYCKD-BASLNEPJSA-N 1 1 389.452 -0.358 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnn3C3CCC3)C[C@H]2O)O1 ZINC001024389516 1072737787 /nfs/dbraw/zinc/73/77/87/1072737787.db2.gz JVRPAYDPVKFQTC-ODVANORSSA-N 1 1 391.472 -0.371 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnn3C3CCC3)C[C@H]2O)O1 ZINC001024389516 1072737777 /nfs/dbraw/zinc/73/77/77/1072737777.db2.gz JVRPAYDPVKFQTC-ODVANORSSA-N 1 1 391.472 -0.371 20 0 GBADMO CCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389522 1072737088 /nfs/dbraw/zinc/73/70/88/1072737088.db2.gz JZVWZBICPGYSRM-RAEVTNRLSA-N 1 1 379.461 -0.997 20 0 GBADMO CCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389522 1072737079 /nfs/dbraw/zinc/73/70/79/1072737079.db2.gz JZVWZBICPGYSRM-RAEVTNRLSA-N 1 1 379.461 -0.997 20 0 GBADMO Cc1cc(C)n(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389526 1072737732 /nfs/dbraw/zinc/73/77/32/1072737732.db2.gz KEVLTKKLHNIKBB-QBPKDAKJSA-N 1 1 393.488 -0.703 20 0 GBADMO Cc1cc(C)n(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389526 1072737722 /nfs/dbraw/zinc/73/77/22/1072737722.db2.gz KEVLTKKLHNIKBB-QBPKDAKJSA-N 1 1 393.488 -0.703 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@H]2O)O1 ZINC001024389528 1072738227 /nfs/dbraw/zinc/73/82/27/1072738227.db2.gz KGJMTZKGWHHLPM-XKVFNRALSA-N 1 1 392.456 -0.426 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@H]2O)O1 ZINC001024389528 1072738218 /nfs/dbraw/zinc/73/82/18/1072738218.db2.gz KGJMTZKGWHHLPM-XKVFNRALSA-N 1 1 392.456 -0.426 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4nccn43)C[C@H]2O)O1 ZINC001024389531 1072737165 /nfs/dbraw/zinc/73/71/65/1072737165.db2.gz KJBJLDMUEGCSIZ-RRCSTGOVSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4nccn43)C[C@H]2O)O1 ZINC001024389531 1072737154 /nfs/dbraw/zinc/73/71/54/1072737154.db2.gz KJBJLDMUEGCSIZ-RRCSTGOVSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(F)F)n[nH]3)C[C@H]2O)O1 ZINC001024389535 1072737985 /nfs/dbraw/zinc/73/79/85/1072737985.db2.gz KPDNZMBGHBMIQV-HUXSOILUSA-N 1 1 387.387 -0.632 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(F)F)n[nH]3)C[C@H]2O)O1 ZINC001024389535 1072737976 /nfs/dbraw/zinc/73/79/76/1072737976.db2.gz KPDNZMBGHBMIQV-HUXSOILUSA-N 1 1 387.387 -0.632 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C4CCC4)nn3)C[C@H]2O)O1 ZINC001024389537 1072737899 /nfs/dbraw/zinc/73/78/99/1072737899.db2.gz KQBCPQQYFFBMKI-UIBBOPPKSA-N 1 1 392.460 -0.976 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C4CCC4)nn3)C[C@H]2O)O1 ZINC001024389537 1072737892 /nfs/dbraw/zinc/73/78/92/1072737892.db2.gz KQBCPQQYFFBMKI-UIBBOPPKSA-N 1 1 392.460 -0.976 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc4ccccn43)C[C@H]2O)O1 ZINC001024389538 1072738256 /nfs/dbraw/zinc/73/82/56/1072738256.db2.gz KSLNKIYSKFFZDK-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc4ccccn43)C[C@H]2O)O1 ZINC001024389538 1072738247 /nfs/dbraw/zinc/73/82/47/1072738247.db2.gz KSLNKIYSKFFZDK-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@H]2O)O1 ZINC001024389539 1072737918 /nfs/dbraw/zinc/73/79/18/1072737918.db2.gz KVKKGBGBZQHODG-DSPGLSBSSA-N 1 1 376.413 -0.219 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4occc4[nH]3)C[C@H]2O)O1 ZINC001024389539 1072737916 /nfs/dbraw/zinc/73/79/16/1072737916.db2.gz KVKKGBGBZQHODG-DSPGLSBSSA-N 1 1 376.413 -0.219 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)cn3)C[C@H]2O)O1 ZINC001024389542 1072738038 /nfs/dbraw/zinc/73/80/38/1072738038.db2.gz LBKOMYSDUXRPBU-BASLNEPJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)cn3)C[C@H]2O)O1 ZINC001024389542 1072738034 /nfs/dbraw/zinc/73/80/34/1072738034.db2.gz LBKOMYSDUXRPBU-BASLNEPJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@H]2O)O1 ZINC001024389546 1072738158 /nfs/dbraw/zinc/73/81/58/1072738158.db2.gz LDVCMKUOEVFFNZ-PZTHBURQSA-N 1 1 384.864 -0.301 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@H]2O)O1 ZINC001024389546 1072738153 /nfs/dbraw/zinc/73/81/53/1072738153.db2.gz LDVCMKUOEVFFNZ-PZTHBURQSA-N 1 1 384.864 -0.301 20 0 GBADMO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389547 1072737940 /nfs/dbraw/zinc/73/79/40/1072737940.db2.gz LELLZKRWJNIBLC-JUDXGUMMSA-N 1 1 379.461 -0.942 20 0 GBADMO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389547 1072737934 /nfs/dbraw/zinc/73/79/34/1072737934.db2.gz LELLZKRWJNIBLC-JUDXGUMMSA-N 1 1 379.461 -0.942 20 0 GBADMO Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024389551 1072737422 /nfs/dbraw/zinc/73/74/22/1072737422.db2.gz LKKRBLOZDARPAJ-VDHUWJSZSA-N 1 1 375.469 -0.055 20 0 GBADMO Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024389551 1072737418 /nfs/dbraw/zinc/73/74/18/1072737418.db2.gz LKKRBLOZDARPAJ-VDHUWJSZSA-N 1 1 375.469 -0.055 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc(C4CC4)no3)C[C@H]2O)O1 ZINC001024389553 1072737639 /nfs/dbraw/zinc/73/76/39/1072737639.db2.gz LLKNODHZHBXFGH-GAEVZRCVSA-N 1 1 392.456 -0.499 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc(C4CC4)no3)C[C@H]2O)O1 ZINC001024389553 1072737636 /nfs/dbraw/zinc/73/76/36/1072737636.db2.gz LLKNODHZHBXFGH-GAEVZRCVSA-N 1 1 392.456 -0.499 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@H]2O)O1 ZINC001024389564 1072737522 /nfs/dbraw/zinc/73/75/22/1072737522.db2.gz MBYLTNBTVCWNDH-GAEVZRCVSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)C[C@H]2O)O1 ZINC001024389564 1072737515 /nfs/dbraw/zinc/73/75/15/1072737515.db2.gz MBYLTNBTVCWNDH-GAEVZRCVSA-N 1 1 387.440 -0.417 20 0 GBADMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001024389565 1072737109 /nfs/dbraw/zinc/73/71/09/1072737109.db2.gz MCZWLIJPAQMLLL-BASLNEPJSA-N 1 1 376.457 -0.281 20 0 GBADMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001024389565 1072737105 /nfs/dbraw/zinc/73/71/05/1072737105.db2.gz MCZWLIJPAQMLLL-BASLNEPJSA-N 1 1 376.457 -0.281 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2O)O1 ZINC001024389567 1072737499 /nfs/dbraw/zinc/73/74/99/1072737499.db2.gz MEYBHLVZARGICG-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2O)O1 ZINC001024389567 1072737494 /nfs/dbraw/zinc/73/74/94/1072737494.db2.gz MEYBHLVZARGICG-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3conc3C3CC3)C[C@H]2O)O1 ZINC001024389568 1072737050 /nfs/dbraw/zinc/73/70/50/1072737050.db2.gz MFJKYUQHVJABIY-JUDXGUMMSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3conc3C3CC3)C[C@H]2O)O1 ZINC001024389568 1072737042 /nfs/dbraw/zinc/73/70/42/1072737042.db2.gz MFJKYUQHVJABIY-JUDXGUMMSA-N 1 1 378.429 -0.427 20 0 GBADMO Cc1[nH]nc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389573 1072737197 /nfs/dbraw/zinc/73/71/97/1072737197.db2.gz MLCRWGBOGAKJRX-HJQYOEGKSA-N 1 1 385.852 -0.608 20 0 GBADMO Cc1[nH]nc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389573 1072737185 /nfs/dbraw/zinc/73/71/85/1072737185.db2.gz MLCRWGBOGAKJRX-HJQYOEGKSA-N 1 1 385.852 -0.608 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCC3CCOCC3)C[C@H]2O)O1 ZINC001024389578 1072737243 /nfs/dbraw/zinc/73/72/43/1072737243.db2.gz MRHGWTTUALSVTQ-MWQQHZPXSA-N 1 1 383.489 -0.400 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCC3CCOCC3)C[C@H]2O)O1 ZINC001024389578 1072737239 /nfs/dbraw/zinc/73/72/39/1072737239.db2.gz MRHGWTTUALSVTQ-MWQQHZPXSA-N 1 1 383.489 -0.400 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)O1 ZINC001024389582 1072737222 /nfs/dbraw/zinc/73/72/22/1072737222.db2.gz MXQJXQAQRKVMEI-BASLNEPJSA-N 1 1 379.432 -0.225 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)O1 ZINC001024389582 1072737212 /nfs/dbraw/zinc/73/72/12/1072737212.db2.gz MXQJXQAQRKVMEI-BASLNEPJSA-N 1 1 379.432 -0.225 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4ccccc43)C[C@H]2O)O1 ZINC001024389587 1072737385 /nfs/dbraw/zinc/73/73/85/1072737385.db2.gz NCTUCXXMUYKUBM-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4ccccc43)C[C@H]2O)O1 ZINC001024389587 1072737379 /nfs/dbraw/zinc/73/73/79/1072737379.db2.gz NCTUCXXMUYKUBM-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1C ZINC001024389589 1072737671 /nfs/dbraw/zinc/73/76/71/1072737671.db2.gz NIGFPYHOLUVJOP-BASLNEPJSA-N 1 1 378.473 -0.337 20 0 GBADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1C ZINC001024389589 1072737662 /nfs/dbraw/zinc/73/76/62/1072737662.db2.gz NIGFPYHOLUVJOP-BASLNEPJSA-N 1 1 378.473 -0.337 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)C[C@H]2O)O1 ZINC001024389594 1072738880 /nfs/dbraw/zinc/73/88/80/1072738880.db2.gz NMESBCVEFPDGLQ-RRCSTGOVSA-N 1 1 391.472 -0.760 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)C[C@H]2O)O1 ZINC001024389594 1072738872 /nfs/dbraw/zinc/73/88/72/1072738872.db2.gz NMESBCVEFPDGLQ-RRCSTGOVSA-N 1 1 391.472 -0.760 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnc3N(C)C)C[C@H]2O)O1 ZINC001024389599 1072738808 /nfs/dbraw/zinc/73/88/08/1072738808.db2.gz NRPTYSDVZDBFFP-DTZQCDIJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnc3N(C)C)C[C@H]2O)O1 ZINC001024389599 1072738802 /nfs/dbraw/zinc/73/88/02/1072738802.db2.gz NRPTYSDVZDBFFP-DTZQCDIJSA-N 1 1 391.472 -0.832 20 0 GBADMO Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024389608 1072738605 /nfs/dbraw/zinc/73/86/05/1072738605.db2.gz OIBVVMKCBAXQBL-MWQQHZPXSA-N 1 1 376.457 -0.660 20 0 GBADMO Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024389608 1072738603 /nfs/dbraw/zinc/73/86/03/1072738603.db2.gz OIBVVMKCBAXQBL-MWQQHZPXSA-N 1 1 376.457 -0.660 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@H]2O)O1 ZINC001024389617 1072738901 /nfs/dbraw/zinc/73/89/01/1072738901.db2.gz OWVSPBOFSLHJRQ-RAEVTNRLSA-N 1 1 387.440 -0.465 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4[nH]ccc4c3)C[C@H]2O)O1 ZINC001024389617 1072738896 /nfs/dbraw/zinc/73/88/96/1072738896.db2.gz OWVSPBOFSLHJRQ-RAEVTNRLSA-N 1 1 387.440 -0.465 20 0 GBADMO CC(C)Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389623 1072738860 /nfs/dbraw/zinc/73/88/60/1072738860.db2.gz PDOCPAYAXWVICP-MWQQHZPXSA-N 1 1 393.488 -0.440 20 0 GBADMO CC(C)Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389623 1072738851 /nfs/dbraw/zinc/73/88/51/1072738851.db2.gz PDOCPAYAXWVICP-MWQQHZPXSA-N 1 1 393.488 -0.440 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4ccccn4c3)C[C@H]2O)O1 ZINC001024389624 1072738727 /nfs/dbraw/zinc/73/87/27/1072738727.db2.gz PEIBIZLPNTWTJP-BNEJOLLZSA-N 1 1 386.452 -0.040 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4ccccn4c3)C[C@H]2O)O1 ZINC001024389624 1072738722 /nfs/dbraw/zinc/73/87/22/1072738722.db2.gz PEIBIZLPNTWTJP-BNEJOLLZSA-N 1 1 386.452 -0.040 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)cn3)C[C@H]2O)O1 ZINC001024389625 1072738958 /nfs/dbraw/zinc/73/89/58/1072738958.db2.gz PGEIUPPJICWHLF-BASLNEPJSA-N 1 1 391.472 -0.833 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)cn3)C[C@H]2O)O1 ZINC001024389625 1072738953 /nfs/dbraw/zinc/73/89/53/1072738953.db2.gz PGEIUPPJICWHLF-BASLNEPJSA-N 1 1 391.472 -0.833 20 0 GBADMO Cc1ccc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024389630 1072739211 /nfs/dbraw/zinc/73/92/11/1072739211.db2.gz PLNZYUCHOXJSDI-VDHUWJSZSA-N 1 1 391.468 -0.219 20 0 GBADMO Cc1ccc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001024389630 1072739202 /nfs/dbraw/zinc/73/92/02/1072739202.db2.gz PLNZYUCHOXJSDI-VDHUWJSZSA-N 1 1 391.468 -0.219 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4ccnc4c3)C[C@H]2O)O1 ZINC001024389631 1072738972 /nfs/dbraw/zinc/73/89/72/1072738972.db2.gz PMZZAJJXSYIEOS-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4ccnc4c3)C[C@H]2O)O1 ZINC001024389631 1072738966 /nfs/dbraw/zinc/73/89/66/1072738966.db2.gz PMZZAJJXSYIEOS-DTZQCDIJSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)C[C@H]2O)O1 ZINC001024389634 1072738688 /nfs/dbraw/zinc/73/86/88/1072738688.db2.gz POPSIGLFDAXDGI-RAEVTNRLSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)C[C@H]2O)O1 ZINC001024389634 1072738682 /nfs/dbraw/zinc/73/86/82/1072738682.db2.gz POPSIGLFDAXDGI-RAEVTNRLSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2O)O1 ZINC001024389636 1072739386 /nfs/dbraw/zinc/73/93/86/1072739386.db2.gz PPMZZWCODQCVCH-BASLNEPJSA-N 1 1 379.432 -0.225 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2O)O1 ZINC001024389636 1072739376 /nfs/dbraw/zinc/73/93/76/1072739376.db2.gz PPMZZWCODQCVCH-BASLNEPJSA-N 1 1 379.432 -0.225 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cccnc3)C[C@H]2O)O1 ZINC001024389639 1072738744 /nfs/dbraw/zinc/73/87/44/1072738744.db2.gz PVOJYTSLMHSWBH-MWQQHZPXSA-N 1 1 390.484 -0.234 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cccnc3)C[C@H]2O)O1 ZINC001024389639 1072738737 /nfs/dbraw/zinc/73/87/37/1072738737.db2.gz PVOJYTSLMHSWBH-MWQQHZPXSA-N 1 1 390.484 -0.234 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc(=O)[nH]1 ZINC001024389640 1072739110 /nfs/dbraw/zinc/73/91/10/1072739110.db2.gz PVWQIUMOWUKHBI-RAEVTNRLSA-N 1 1 392.456 -0.630 20 0 GBADMO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc(=O)[nH]1 ZINC001024389640 1072739105 /nfs/dbraw/zinc/73/91/05/1072739105.db2.gz PVWQIUMOWUKHBI-RAEVTNRLSA-N 1 1 392.456 -0.630 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2O)O1 ZINC001024389641 1072739095 /nfs/dbraw/zinc/73/90/95/1072739095.db2.gz PVZRNBZLLKYHAV-FDYHWXHSSA-N 1 1 375.416 -0.171 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2O)O1 ZINC001024389641 1072739089 /nfs/dbraw/zinc/73/90/89/1072739089.db2.gz PVZRNBZLLKYHAV-FDYHWXHSSA-N 1 1 375.416 -0.171 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cncs3)C[C@H]2O)O1 ZINC001024389647 1072738639 /nfs/dbraw/zinc/73/86/39/1072738639.db2.gz QCMPDIKLYHCZAZ-NMFUWQPSSA-N 1 1 382.486 -0.517 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cncs3)C[C@H]2O)O1 ZINC001024389647 1072738633 /nfs/dbraw/zinc/73/86/33/1072738633.db2.gz QCMPDIKLYHCZAZ-NMFUWQPSSA-N 1 1 382.486 -0.517 20 0 GBADMO CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389653 1072739149 /nfs/dbraw/zinc/73/91/49/1072739149.db2.gz QKMAATIPECCDRF-OJAKKHQRSA-N 1 1 383.474 -0.879 20 0 GBADMO CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389653 1072739142 /nfs/dbraw/zinc/73/91/42/1072739142.db2.gz QKMAATIPECCDRF-OJAKKHQRSA-N 1 1 383.474 -0.879 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(C(C)(C)C)n3)C[C@H]2O)O1 ZINC001024389656 1072738709 /nfs/dbraw/zinc/73/87/09/1072738709.db2.gz QRSJTVWSDOXZHJ-DTZQCDIJSA-N 1 1 393.488 -0.341 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(C(C)(C)C)n3)C[C@H]2O)O1 ZINC001024389656 1072738704 /nfs/dbraw/zinc/73/87/04/1072738704.db2.gz QRSJTVWSDOXZHJ-DTZQCDIJSA-N 1 1 393.488 -0.341 20 0 GBADMO Cc1ccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024389662 1072738556 /nfs/dbraw/zinc/73/85/56/1072738556.db2.gz QXDRAENLUUMYGS-MWQQHZPXSA-N 1 1 379.457 -0.072 20 0 GBADMO Cc1ccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024389662 1072738551 /nfs/dbraw/zinc/73/85/51/1072738551.db2.gz QXDRAENLUUMYGS-MWQQHZPXSA-N 1 1 379.457 -0.072 20 0 GBADMO Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389664 1072739532 /nfs/dbraw/zinc/73/95/32/1072739532.db2.gz QXOCLEXOEFXYRO-NMFUWQPSSA-N 1 1 393.440 -0.723 20 0 GBADMO Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389664 1072739526 /nfs/dbraw/zinc/73/95/26/1072739526.db2.gz QXOCLEXOEFXYRO-NMFUWQPSSA-N 1 1 393.440 -0.723 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001024389670 1072739046 /nfs/dbraw/zinc/73/90/46/1072739046.db2.gz RFHFOFWXLMDPSR-ODVANORSSA-N 1 1 393.488 -0.436 20 0 GBADMO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001024389670 1072739041 /nfs/dbraw/zinc/73/90/41/1072739041.db2.gz RFHFOFWXLMDPSR-ODVANORSSA-N 1 1 393.488 -0.436 20 0 GBADMO CCc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001024389673 1072739075 /nfs/dbraw/zinc/73/90/75/1072739075.db2.gz RKHUVMFNGVTAQP-BNEJOLLZSA-N 1 1 390.484 -0.407 20 0 GBADMO CCc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001024389673 1072739066 /nfs/dbraw/zinc/73/90/66/1072739066.db2.gz RKHUVMFNGVTAQP-BNEJOLLZSA-N 1 1 390.484 -0.407 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ocnc3C3CC3)C[C@H]2O)O1 ZINC001024389675 1072738623 /nfs/dbraw/zinc/73/86/23/1072738623.db2.gz RMHFKCQYFAYWDE-FMKGYKFTSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ocnc3C3CC3)C[C@H]2O)O1 ZINC001024389675 1072738620 /nfs/dbraw/zinc/73/86/20/1072738620.db2.gz RMHFKCQYFAYWDE-FMKGYKFTSA-N 1 1 378.429 -0.427 20 0 GBADMO COc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024389676 1072739462 /nfs/dbraw/zinc/73/94/62/1072739462.db2.gz RMHQXYVCJJXROT-DNNBLBMLSA-N 1 1 392.456 -0.960 20 0 GBADMO COc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024389676 1072739454 /nfs/dbraw/zinc/73/94/54/1072739454.db2.gz RMHQXYVCJJXROT-DNNBLBMLSA-N 1 1 392.456 -0.960 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3coc(C4CC4)n3)C[C@H]2O)O1 ZINC001024389679 1072738833 /nfs/dbraw/zinc/73/88/33/1072738833.db2.gz RQWYPMRSINCHEK-PZTHBURQSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3coc(C4CC4)n3)C[C@H]2O)O1 ZINC001024389679 1072738822 /nfs/dbraw/zinc/73/88/22/1072738822.db2.gz RQWYPMRSINCHEK-PZTHBURQSA-N 1 1 378.429 -0.427 20 0 GBADMO CC(C)n1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389680 1072739414 /nfs/dbraw/zinc/73/94/14/1072739414.db2.gz RQXYOTGBKOKLSF-RRCSTGOVSA-N 1 1 379.461 -0.515 20 0 GBADMO CC(C)n1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024389680 1072739406 /nfs/dbraw/zinc/73/94/06/1072739406.db2.gz RQXYOTGBKOKLSF-RRCSTGOVSA-N 1 1 379.461 -0.515 20 0 GBADMO Cc1cncc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389687 1072739301 /nfs/dbraw/zinc/73/93/01/1072739301.db2.gz SAEOZYVMJKQFAZ-KLHDSHLOSA-N 1 1 376.457 -0.281 20 0 GBADMO Cc1cncc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389687 1072739294 /nfs/dbraw/zinc/73/92/94/1072739294.db2.gz SAEOZYVMJKQFAZ-KLHDSHLOSA-N 1 1 376.457 -0.281 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4ncccc4o3)C[C@H]2O)O1 ZINC001024389690 1072739131 /nfs/dbraw/zinc/73/91/31/1072739131.db2.gz SCPSFSZVYISHFS-LSCFUAHRSA-N 1 1 388.424 -0.152 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4ncccc4o3)C[C@H]2O)O1 ZINC001024389690 1072739121 /nfs/dbraw/zinc/73/91/21/1072739121.db2.gz SCPSFSZVYISHFS-LSCFUAHRSA-N 1 1 388.424 -0.152 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@H]2O)O1 ZINC001024389699 1072739230 /nfs/dbraw/zinc/73/92/30/1072739230.db2.gz SORQRJDZTVNJKW-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@H]2O)O1 ZINC001024389699 1072739220 /nfs/dbraw/zinc/73/92/20/1072739220.db2.gz SORQRJDZTVNJKW-HMTTWLPMSA-N 1 1 383.395 -0.015 20 0 GBADMO Cc1nccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389700 1072738587 /nfs/dbraw/zinc/73/85/87/1072738587.db2.gz SPTVWKWEKCFNOP-BASLNEPJSA-N 1 1 391.472 -0.875 20 0 GBADMO Cc1nccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024389700 1072738584 /nfs/dbraw/zinc/73/85/84/1072738584.db2.gz SPTVWKWEKCFNOP-BASLNEPJSA-N 1 1 391.472 -0.875 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)nn3C)C[C@H]2O)O1 ZINC001024389710 1072739256 /nfs/dbraw/zinc/73/92/56/1072739256.db2.gz UCTAEQRMWPUHBQ-MDNXKNQGSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)nn3C)C[C@H]2O)O1 ZINC001024389710 1072739249 /nfs/dbraw/zinc/73/92/49/1072739249.db2.gz UCTAEQRMWPUHBQ-MDNXKNQGSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4cccnn43)C[C@H]2O)O1 ZINC001024389719 1072739279 /nfs/dbraw/zinc/73/92/79/1072739279.db2.gz UNBVFOIDOQCKFA-ODVANORSSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4cccnn43)C[C@H]2O)O1 ZINC001024389719 1072739270 /nfs/dbraw/zinc/73/92/70/1072739270.db2.gz UNBVFOIDOQCKFA-ODVANORSSA-N 1 1 387.440 -0.645 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ocnc3C(F)F)C[C@H]2O)O1 ZINC001024389724 1072739348 /nfs/dbraw/zinc/73/93/48/1072739348.db2.gz USJKQWGICKZMEF-GWOFURMSSA-N 1 1 388.371 -0.367 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ocnc3C(F)F)C[C@H]2O)O1 ZINC001024389724 1072739340 /nfs/dbraw/zinc/73/93/40/1072739340.db2.gz USJKQWGICKZMEF-GWOFURMSSA-N 1 1 388.371 -0.367 20 0 GBADMO CC(C)c1nocc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389730 1072738986 /nfs/dbraw/zinc/73/89/86/1072738986.db2.gz UZLYZODRIFEGNC-NMFUWQPSSA-N 1 1 380.445 -0.181 20 0 GBADMO CC(C)c1nocc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389730 1072738979 /nfs/dbraw/zinc/73/89/79/1072738979.db2.gz UZLYZODRIFEGNC-NMFUWQPSSA-N 1 1 380.445 -0.181 20 0 GBADMO Cc1ncccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389732 1072738540 /nfs/dbraw/zinc/73/85/40/1072738540.db2.gz UZYPRTNBFUZERO-BASLNEPJSA-N 1 1 376.457 -0.660 20 0 GBADMO Cc1ncccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389732 1072738534 /nfs/dbraw/zinc/73/85/34/1072738534.db2.gz UZYPRTNBFUZERO-BASLNEPJSA-N 1 1 376.457 -0.660 20 0 GBADMO CCc1cnccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389736 1072738526 /nfs/dbraw/zinc/73/85/26/1072738526.db2.gz VEAZHCDICRYZLJ-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO CCc1cnccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389736 1072738522 /nfs/dbraw/zinc/73/85/22/1072738522.db2.gz VEAZHCDICRYZLJ-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nccc4[nH]ccc43)C[C@H]2O)O1 ZINC001024389739 1072738657 /nfs/dbraw/zinc/73/86/57/1072738657.db2.gz VIEQMALUTHNZAR-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nccc4[nH]ccc43)C[C@H]2O)O1 ZINC001024389739 1072738651 /nfs/dbraw/zinc/73/86/51/1072738651.db2.gz VIEQMALUTHNZAR-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO Cc1noc(C2CC2)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389743 1072738941 /nfs/dbraw/zinc/73/89/41/1072738941.db2.gz VPVMANBBKQGJCY-JUDXGUMMSA-N 1 1 392.456 -0.119 20 0 GBADMO Cc1noc(C2CC2)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389743 1072738936 /nfs/dbraw/zinc/73/89/36/1072738936.db2.gz VPVMANBBKQGJCY-JUDXGUMMSA-N 1 1 392.456 -0.119 20 0 GBADMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1C ZINC001024389744 1072739189 /nfs/dbraw/zinc/73/91/89/1072739189.db2.gz VQIZYIMIFJOKSE-BASLNEPJSA-N 1 1 376.457 -0.281 20 0 GBADMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1C ZINC001024389744 1072739187 /nfs/dbraw/zinc/73/91/87/1072739187.db2.gz VQIZYIMIFJOKSE-BASLNEPJSA-N 1 1 376.457 -0.281 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)C[C@H]2O)O1 ZINC001024389745 1072739482 /nfs/dbraw/zinc/73/94/82/1072739482.db2.gz VQYXTTBMPHTKJB-DDHJBXDOSA-N 1 1 379.379 -0.264 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)C[C@H]2O)O1 ZINC001024389745 1072739479 /nfs/dbraw/zinc/73/94/79/1072739479.db2.gz VQYXTTBMPHTKJB-DDHJBXDOSA-N 1 1 379.379 -0.264 20 0 GBADMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(=O)[nH]1 ZINC001024389746 1072739325 /nfs/dbraw/zinc/73/93/25/1072739325.db2.gz VRCJIUVMVYBTQI-NMFUWQPSSA-N 1 1 378.429 -0.884 20 0 GBADMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(=O)[nH]1 ZINC001024389746 1072739318 /nfs/dbraw/zinc/73/93/18/1072739318.db2.gz VRCJIUVMVYBTQI-NMFUWQPSSA-N 1 1 378.429 -0.884 20 0 GBADMO CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024389750 1072738922 /nfs/dbraw/zinc/73/89/22/1072738922.db2.gz VUUCJNMZDMLMLC-DTZQCDIJSA-N 1 1 392.456 -0.499 20 0 GBADMO CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024389750 1072738916 /nfs/dbraw/zinc/73/89/16/1072738916.db2.gz 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HUUWDNCUEDBOQQ-DTZQCDIJSA-N 1 1 392.456 -0.873 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)C[C@H]2O)O1 ZINC001024390247 1072740157 /nfs/dbraw/zinc/74/01/57/1072740157.db2.gz JRSLAFBHUBNWEC-BASLNEPJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)C[C@H]2O)O1 ZINC001024390247 1072740149 /nfs/dbraw/zinc/74/01/49/1072740149.db2.gz JRSLAFBHUBNWEC-BASLNEPJSA-N 1 1 391.472 -0.832 20 0 GBADMO COc1cc(C)cnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024390284 1072740921 /nfs/dbraw/zinc/74/09/21/1072740921.db2.gz KTVQPOOSCBYEEH-IXYNUQLISA-N 1 1 392.456 -0.581 20 0 GBADMO COc1cc(C)cnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024390284 1072740913 /nfs/dbraw/zinc/74/09/13/1072740913.db2.gz KTVQPOOSCBYEEH-IXYNUQLISA-N 1 1 392.456 -0.581 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH]ncc43)C[C@H]2O)O1 ZINC001024390370 1072740645 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391.472 -0.691 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2O)O1 ZINC001024390630 1072741756 /nfs/dbraw/zinc/74/17/56/1072741756.db2.gz RYJVPZVBGSZNSG-RAEVTNRLSA-N 1 1 391.472 -0.691 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@H]2O)O1 ZINC001024390744 637370925 /nfs/dbraw/zinc/37/09/25/637370925.db2.gz SNSJLMRAPBSMHL-GWOFURMSSA-N 1 1 388.877 -0.183 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@H]2O)O1 ZINC001024390744 637370920 /nfs/dbraw/zinc/37/09/20/637370920.db2.gz SNSJLMRAPBSMHL-GWOFURMSSA-N 1 1 388.877 -0.183 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nc3)C[C@H]2O)O1 ZINC001024390752 1072742209 /nfs/dbraw/zinc/74/22/09/1072742209.db2.gz SSIHOWYCTFTMGQ-DTZQCDIJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nc3)C[C@H]2O)O1 ZINC001024390752 1072742204 /nfs/dbraw/zinc/74/22/04/1072742204.db2.gz SSIHOWYCTFTMGQ-DTZQCDIJSA-N 1 1 391.472 -0.832 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c3CCCC4)C[C@H]2O)O1 ZINC001024390771 1072741607 /nfs/dbraw/zinc/74/16/07/1072741607.db2.gz UFCHQNAPUOEIHZ-MOIQIXESSA-N 1 1 390.484 -0.155 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c3CCCC4)C[C@H]2O)O1 ZINC001024390771 1072741603 /nfs/dbraw/zinc/74/16/03/1072741603.db2.gz UFCHQNAPUOEIHZ-MOIQIXESSA-N 1 1 390.484 -0.155 20 0 GBADMO COc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024390779 1072741909 /nfs/dbraw/zinc/74/19/09/1072741909.db2.gz UJFXXVGKTHHKRI-RAEVTNRLSA-N 1 1 378.429 -0.889 20 0 GBADMO COc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024390779 1072741903 /nfs/dbraw/zinc/74/19/03/1072741903.db2.gz UJFXXVGKTHHKRI-RAEVTNRLSA-N 1 1 378.429 -0.889 20 0 GBADMO CCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1C ZINC001024390798 1072741887 /nfs/dbraw/zinc/74/18/87/1072741887.db2.gz UVPPUUGQISNPJC-BASLNEPJSA-N 1 1 378.473 -0.163 20 0 GBADMO CCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1C ZINC001024390798 1072741881 /nfs/dbraw/zinc/74/18/81/1072741881.db2.gz UVPPUUGQISNPJC-BASLNEPJSA-N 1 1 378.473 -0.163 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@H]2O)O1 ZINC001024390799 1072741674 /nfs/dbraw/zinc/74/16/74/1072741674.db2.gz UWXQLCNBJZGLSV-FDYHWXHSSA-N 1 1 375.416 -0.171 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(F)F)CCC3)C[C@H]2O)O1 ZINC001024390799 1072741668 /nfs/dbraw/zinc/74/16/68/1072741668.db2.gz UWXQLCNBJZGLSV-FDYHWXHSSA-N 1 1 375.416 -0.171 20 0 GBADMO CC(C)c1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024390809 1072741567 /nfs/dbraw/zinc/74/15/67/1072741567.db2.gz VHABATKBTJFIBO-NMFUWQPSSA-N 1 1 379.461 -0.446 20 0 GBADMO CC(C)c1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024390809 1072741564 /nfs/dbraw/zinc/74/15/64/1072741564.db2.gz VHABATKBTJFIBO-NMFUWQPSSA-N 1 1 379.461 -0.446 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4c[nH]nc43)C[C@H]2O)O1 ZINC001024390823 1072742152 /nfs/dbraw/zinc/74/21/52/1072742152.db2.gz WCPWIBMAQBRPBO-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4c[nH]nc43)C[C@H]2O)O1 ZINC001024390823 1072742145 /nfs/dbraw/zinc/74/21/45/1072742145.db2.gz WCPWIBMAQBRPBO-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)C[C@H]2O)O1 ZINC001024390823 1072742142 /nfs/dbraw/zinc/74/21/42/1072742142.db2.gz WCPWIBMAQBRPBO-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)C[C@H]2O)O1 ZINC001024390823 1072742135 /nfs/dbraw/zinc/74/21/35/1072742135.db2.gz WCPWIBMAQBRPBO-RAEVTNRLSA-N 1 1 387.440 -0.417 20 0 GBADMO COc1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024390831 1072741828 /nfs/dbraw/zinc/74/18/28/1072741828.db2.gz WGDQDOZJTHAMJM-FMKGYKFTSA-N 1 1 383.470 -0.223 20 0 GBADMO COc1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024390831 1072741817 /nfs/dbraw/zinc/74/18/17/1072741817.db2.gz WGDQDOZJTHAMJM-FMKGYKFTSA-N 1 1 383.470 -0.223 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2O)O1 ZINC001024390947 1072742159 /nfs/dbraw/zinc/74/21/59/1072742159.db2.gz WRHMPXYJHPFKNN-MWQQHZPXSA-N 1 1 376.457 -0.579 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2O)O1 ZINC001024390947 1072742156 /nfs/dbraw/zinc/74/21/56/1072742156.db2.gz WRHMPXYJHPFKNN-MWQQHZPXSA-N 1 1 376.457 -0.579 20 0 GBADMO CCCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]n1 ZINC001024390975 1072741616 /nfs/dbraw/zinc/74/16/16/1072741616.db2.gz XWACNCCYUAQJIQ-RAEVTNRLSA-N 1 1 379.461 -0.617 20 0 GBADMO CCCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]n1 ZINC001024390975 1072741613 /nfs/dbraw/zinc/74/16/13/1072741613.db2.gz XWACNCCYUAQJIQ-RAEVTNRLSA-N 1 1 379.461 -0.617 20 0 GBADMO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024390981 1072741991 /nfs/dbraw/zinc/74/19/91/1072741991.db2.gz YEIMARXIBRIJTI-KLHDSHLOSA-N 1 1 393.488 -0.666 20 0 GBADMO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001024390981 1072741987 /nfs/dbraw/zinc/74/19/87/1072741987.db2.gz YEIMARXIBRIJTI-KLHDSHLOSA-N 1 1 393.488 -0.666 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)C[C@H]2O)O1 ZINC001024390990 1072741522 /nfs/dbraw/zinc/74/15/22/1072741522.db2.gz YKCSULPOTPFVSC-BPGGGUHBSA-N 1 1 378.429 -0.427 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)C[C@H]2O)O1 ZINC001024390990 1072741519 /nfs/dbraw/zinc/74/15/19/1072741519.db2.gz YKCSULPOTPFVSC-BPGGGUHBSA-N 1 1 378.429 -0.427 20 0 GBADMO Cc1cc(C2(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)CC2)on1 ZINC001024390991 1072741382 /nfs/dbraw/zinc/74/13/82/1072741382.db2.gz YKQQEUNXRNTAOQ-KBUPBQIOSA-N 1 1 392.456 -0.578 20 0 GBADMO Cc1cc(C2(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)CC2)on1 ZINC001024390991 1072741372 /nfs/dbraw/zinc/74/13/72/1072741372.db2.gz YKQQEUNXRNTAOQ-KBUPBQIOSA-N 1 1 392.456 -0.578 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(c3)CCCC4)C[C@H]2O)O1 ZINC001024390996 1072742171 /nfs/dbraw/zinc/74/21/71/1072742171.db2.gz YURWSLRUQUANAS-BNEJOLLZSA-N 1 1 390.484 -0.155 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(c3)CCCC4)C[C@H]2O)O1 ZINC001024390996 1072742168 /nfs/dbraw/zinc/74/21/68/1072742168.db2.gz YURWSLRUQUANAS-BNEJOLLZSA-N 1 1 390.484 -0.155 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3cscn3)C[C@H]2O)O1 ZINC001024391005 1072741531 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ZINC001024391018 1072741790 /nfs/dbraw/zinc/74/17/90/1072741790.db2.gz ZHUDBFUEFXSDSA-RAEVTNRLSA-N 1 1 379.461 -0.617 20 0 GBADMO COCc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024391073 1072742193 /nfs/dbraw/zinc/74/21/93/1072742193.db2.gz ZVSGIJAYWXJZQQ-BASLNEPJSA-N 1 1 392.456 -0.751 20 0 GBADMO COCc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001024391073 1072742189 /nfs/dbraw/zinc/74/21/89/1072742189.db2.gz ZVSGIJAYWXJZQQ-BASLNEPJSA-N 1 1 392.456 -0.751 20 0 GBADMO CCCc1[nH]ccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024391081 1072741492 /nfs/dbraw/zinc/74/14/92/1072741492.db2.gz ZYHLKCAKSXYVFA-BASLNEPJSA-N 1 1 378.473 -0.012 20 0 GBADMO CCCc1[nH]ccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024391081 1072741486 /nfs/dbraw/zinc/74/14/86/1072741486.db2.gz ZYHLKCAKSXYVFA-BASLNEPJSA-N 1 1 378.473 -0.012 20 0 GBADMO 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VBKIZDDGWRIJTJ-MOIQIXESSA-N 1 1 390.484 -0.227 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3N(C)C)C2)O1 ZINC001024410617 1072751134 /nfs/dbraw/zinc/75/11/34/1072751134.db2.gz VBKIZDDGWRIJTJ-MOIQIXESSA-N 1 1 390.484 -0.227 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)nc3)C2)CC[N@H+]1C ZINC001024421272 1072750422 /nfs/dbraw/zinc/75/04/22/1072750422.db2.gz ZQMFLMVZKOXTNS-LCGIIJARSA-N 1 1 389.456 -0.788 20 0 GBADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3C3CC3)C2)O1 ZINC001024422416 1072750040 /nfs/dbraw/zinc/75/00/40/1072750040.db2.gz QUBPHBZFTQJFEO-RAEVTNRLSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3C3CC3)C2)O1 ZINC001024422416 1072750031 /nfs/dbraw/zinc/75/00/31/1072750031.db2.gz QUBPHBZFTQJFEO-RAEVTNRLSA-N 1 1 391.472 -0.682 20 0 GBADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3C3CC3)C2)CC[N@H+]1C ZINC001024422852 1072750316 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C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)CC[N@H+]1C ZINC001024448956 1072761087 /nfs/dbraw/zinc/76/10/87/1072761087.db2.gz FISAFQIEMXAVDK-WGEPELCKSA-N 1 1 388.428 -0.695 20 0 GBADMO CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1O ZINC001024450652 1072761036 /nfs/dbraw/zinc/76/10/36/1072761036.db2.gz QHODLCMNWVIITF-UIBBOPPKSA-N 1 1 391.472 -0.077 20 0 GBADMO CCc1cnccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024451536 1072761957 /nfs/dbraw/zinc/76/19/57/1072761957.db2.gz NUUCUZBSFQLNNZ-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO CCc1cnccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024451536 1072761952 /nfs/dbraw/zinc/76/19/52/1072761952.db2.gz NUUCUZBSFQLNNZ-BASLNEPJSA-N 1 1 376.457 -0.335 20 0 GBADMO CCc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001024458708 1072762595 /nfs/dbraw/zinc/76/25/95/1072762595.db2.gz KYVVTYSTPKYKES-DTZQCDIJSA-N 1 1 376.457 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JFOVYCJLPGVTEN-UIBBOPPKSA-N 1 1 379.461 -0.622 20 0 GBADMO Cc1nnc2ccc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3O)cn12 ZINC001024460785 1072764704 /nfs/dbraw/zinc/76/47/04/1072764704.db2.gz KQVWXJFWHDOSMH-RAEVTNRLSA-N 1 1 386.456 -0.321 20 0 GBADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2O)no1 ZINC001024460791 1072765141 /nfs/dbraw/zinc/76/51/41/1072765141.db2.gz KUUYVLARECWQTD-QOHIICPNSA-N 1 1 390.440 -0.539 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(CN(C)C)on3)C2)CC[N@H+]1C ZINC001024460914 1072764984 /nfs/dbraw/zinc/76/49/84/1072764984.db2.gz NJIJHHMZCIVZSD-RKTXRCNFSA-N 1 1 393.488 -0.232 20 0 GBADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2O)no1 ZINC001024461251 1072765516 /nfs/dbraw/zinc/76/55/16/1072765516.db2.gz QXECOATZYDPTGG-QXEFRVRVSA-N 1 1 392.456 -0.147 20 0 GBADMO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001024461614 1072763646 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1072769510 /nfs/dbraw/zinc/76/95/10/1072769510.db2.gz DIXGBCZLKLFTMH-MWQQHZPXSA-N 1 1 376.457 -0.281 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(CCF)c3)C2)CC[N@H+]1C ZINC001024465073 1072769586 /nfs/dbraw/zinc/76/95/86/1072769586.db2.gz HUAJVQQFGNCHKX-ZJIFWQFVSA-N 1 1 381.452 -0.116 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4ncnn43)C2)CC[N@H+]1C ZINC001024471800 1072771807 /nfs/dbraw/zinc/77/18/07/1072771807.db2.gz QSVAMEFPCKRTFG-DSJMHWKBSA-N 1 1 386.456 -0.239 20 0 GBADMO COCc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2O)c1 ZINC001024477403 1072774680 /nfs/dbraw/zinc/77/46/80/1072774680.db2.gz FAWDZBGRQVTQIR-BNEJOLLZSA-N 1 1 391.468 -0.146 20 0 GBADMO COCc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2O)c1 ZINC001024477403 1072774672 /nfs/dbraw/zinc/77/46/72/1072774672.db2.gz FAWDZBGRQVTQIR-BNEJOLLZSA-N 1 1 391.468 -0.146 20 0 GBADMO Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2O)cc1 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CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)C1 ZINC001098170180 1073856092 /nfs/dbraw/zinc/85/60/92/1073856092.db2.gz KFTRNVWFMSJCPM-FPCVCCKLSA-N 1 1 377.489 -0.008 20 0 GBADMO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)C1 ZINC001098170181 1073855798 /nfs/dbraw/zinc/85/57/98/1073855798.db2.gz KFTRNVWFMSJCPM-JJXSEGSLSA-N 1 1 377.489 -0.008 20 0 GBADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2 ZINC001098170522 1073898382 /nfs/dbraw/zinc/89/83/82/1073898382.db2.gz ZLQMJJXVZUOPKI-DGAVXFQQSA-N 1 1 376.461 -0.763 20 0 GBADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2 ZINC001098170522 1073898372 /nfs/dbraw/zinc/89/83/72/1073898372.db2.gz ZLQMJJXVZUOPKI-DGAVXFQQSA-N 1 1 376.461 -0.763 20 0 GBADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2 ZINC001098170523 1073899746 /nfs/dbraw/zinc/89/97/46/1073899746.db2.gz ZLQMJJXVZUOPKI-SYQHCUMBSA-N 1 1 376.461 -0.763 20 0 GBADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2 ZINC001098170523 1073899736 /nfs/dbraw/zinc/89/97/36/1073899736.db2.gz ZLQMJJXVZUOPKI-SYQHCUMBSA-N 1 1 376.461 -0.763 20 0 GBADMO COCCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)n1 ZINC001104686253 1073065880 /nfs/dbraw/zinc/06/58/80/1073065880.db2.gz DDARJVTVSIOZIB-SYQHCUMBSA-N 1 1 379.461 -0.046 20 0 GBADMO CNC(=O)Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)n1 ZINC001104691308 1073071609 /nfs/dbraw/zinc/07/16/09/1073071609.db2.gz XHYYJQBQNSVMTA-LPWJVIDDSA-N 1 1 392.460 -0.946 20 0 GBADMO COCCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285031 1073335223 /nfs/dbraw/zinc/33/52/23/1073335223.db2.gz APVHBTNXQULOHA-WKULXVSPSA-N 1 1 391.472 -0.163 20 0 GBADMO COC[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285062 1073335809 /nfs/dbraw/zinc/33/58/09/1073335809.db2.gz BQGQFQXZRMXBDJ-NKKGCODLSA-N 1 1 379.461 -0.427 20 0 GBADMO COC[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285063 1073335625 /nfs/dbraw/zinc/33/56/25/1073335625.db2.gz BQGQFQXZRMXBDJ-OSMBCOQSSA-N 1 1 379.461 -0.427 20 0 GBADMO COC[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285182 1073335194 /nfs/dbraw/zinc/33/51/94/1073335194.db2.gz HIAIAZLCCQMTIP-JHMPBIJASA-N 1 1 377.445 -0.818 20 0 GBADMO COC[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285183 1073335577 /nfs/dbraw/zinc/33/55/77/1073335577.db2.gz HIAIAZLCCQMTIP-NEXGVSGLSA-N 1 1 377.445 -0.818 20 0 GBADMO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105285289 1073335692 /nfs/dbraw/zinc/33/56/92/1073335692.db2.gz LJUOVTWMOYFUHI-RRQGHBQHSA-N 1 1 379.461 -0.425 20 0 GBADMO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105285806 1073336371 /nfs/dbraw/zinc/33/63/71/1073336371.db2.gz VTDHKPYTBPZDQY-ALYAQQCSSA-N 1 1 377.445 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20 0 GBADMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105290872 1073337629 /nfs/dbraw/zinc/33/76/29/1073337629.db2.gz ZZJITFZKMLNLJZ-OSRSDYAFSA-N 1 1 379.461 -0.163 20 0 GBADMO COCCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105331731 1073351120 /nfs/dbraw/zinc/35/11/20/1073351120.db2.gz OFKFCNNITUJEEJ-ZACQAIPSSA-N 1 1 379.461 -0.019 20 0 GBADMO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001111493270 1073248904 /nfs/dbraw/zinc/24/89/04/1073248904.db2.gz MWRXYQFFEBZGDO-KFWWJZLASA-N 1 1 377.507 -0.348 20 0 GBADMO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001111493270 1073248901 /nfs/dbraw/zinc/24/89/01/1073248901.db2.gz MWRXYQFFEBZGDO-KFWWJZLASA-N 1 1 377.507 -0.348 20 0 GBADMO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001111493350 1073256760 /nfs/dbraw/zinc/25/67/60/1073256760.db2.gz QJUTWYJODAMOHN-KFWWJZLASA-N 1 1 382.461 -0.297 20 0 GBADMO 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ZINC001167226243 1072279468 /nfs/dbraw/zinc/27/94/68/1072279468.db2.gz FCCZNSADPJJDHJ-CQSZACIVSA-N 1 1 375.429 -0.087 20 0 GBADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)cc1 ZINC001167278515 1072289085 /nfs/dbraw/zinc/28/90/85/1072289085.db2.gz SIXUUVCXCHUHBY-DZGCQCFKSA-N 1 1 387.444 -0.423 20 0 GBADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)cc1 ZINC001167278515 1072289078 /nfs/dbraw/zinc/28/90/78/1072289078.db2.gz SIXUUVCXCHUHBY-DZGCQCFKSA-N 1 1 387.444 -0.423 20 0 GBADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)cc1 ZINC001167278516 1072288683 /nfs/dbraw/zinc/28/86/83/1072288683.db2.gz SIXUUVCXCHUHBY-ZFWWWQNUSA-N 1 1 387.444 -0.423 20 0 GBADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)cc1 ZINC001167278516 1072288675 /nfs/dbraw/zinc/28/86/75/1072288675.db2.gz SIXUUVCXCHUHBY-ZFWWWQNUSA-N 1 1 387.444 -0.423 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n2ccccc12 ZINC001167352090 1072421127 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20 0 GBADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001571150414 952667526 /nfs/dbraw/zinc/66/75/26/952667526.db2.gz AFTNKJALDCHVFD-MFKMUULPSA-N 1 1 379.446 -0.646 20 0 GBADMO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001571150415 952667651 /nfs/dbraw/zinc/66/76/51/952667651.db2.gz AFTNKJALDCHVFD-ZWNOBZJWSA-N 1 1 379.446 -0.646 20 0 GBADMO C[C@H](C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001571151327 952674871 /nfs/dbraw/zinc/67/48/71/952674871.db2.gz OXNRKYGTLAIVFV-LLVKDONJSA-N 1 1 379.446 -0.267 20 0 GBADMO C[C@@H](C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001571151328 952674249 /nfs/dbraw/zinc/67/42/49/952674249.db2.gz OXNRKYGTLAIVFV-NSHDSACASA-N 1 1 379.446 -0.267 20 0 GBADMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CS(N)(=O)=O ZINC001571151728 952677726 /nfs/dbraw/zinc/67/77/26/952677726.db2.gz VTVHCZWNLOQREG-PWSUYJOCSA-N 1 1 379.446 -0.338 20 0 GBADMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CS(N)(=O)=O ZINC001571151728 952677724 /nfs/dbraw/zinc/67/77/24/952677724.db2.gz VTVHCZWNLOQREG-PWSUYJOCSA-N 1 1 379.446 -0.338 20 0 GBADMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)nn1 ZINC001571159670 952720577 /nfs/dbraw/zinc/72/05/77/952720577.db2.gz YUFFYILPFHUXSH-CVEARBPZSA-N 1 1 380.412 -0.060 20 0 GBADMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)nn1 ZINC001571159670 952720575 /nfs/dbraw/zinc/72/05/75/952720575.db2.gz YUFFYILPFHUXSH-CVEARBPZSA-N 1 1 380.412 -0.060 20 0 GBADMO Cn1nc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001571160267 952725400 /nfs/dbraw/zinc/72/54/00/952725400.db2.gz GCPSEQULNVNARK-CYBMUJFWSA-N 1 1 380.412 -0.035 20 0 GBADMO Cn1nc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001571160267 952725397 /nfs/dbraw/zinc/72/53/97/952725397.db2.gz GCPSEQULNVNARK-CYBMUJFWSA-N 1 1 380.412 -0.035 20 0 GBADMO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001571160269 952725296 /nfs/dbraw/zinc/72/52/96/952725296.db2.gz GCPSEQULNVNARK-ZDUSSCGKSA-N 1 1 380.412 -0.035 20 0 GBADMO Cn1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001571160269 952725292 /nfs/dbraw/zinc/72/52/92/952725292.db2.gz GCPSEQULNVNARK-ZDUSSCGKSA-N 1 1 380.412 -0.035 20 0 GBADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1=O ZINC001571160345 952726059 /nfs/dbraw/zinc/72/60/59/952726059.db2.gz HNLKXBWBUKUKQG-VIKVFOODSA-N 1 1 380.412 -0.246 20 0 GBADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc1=O ZINC001571160983 952729589 /nfs/dbraw/zinc/72/95/89/952729589.db2.gz OCRPXLMMBPGWPQ-CYBMUJFWSA-N 1 1 380.412 -0.035 20 0 GBADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc1=O ZINC001571160985 952729155 /nfs/dbraw/zinc/72/91/55/952729155.db2.gz OCRPXLMMBPGWPQ-ZDUSSCGKSA-N 1 1 380.412 -0.035 20 0 GBADMO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001571161078 952731065 /nfs/dbraw/zinc/73/10/65/952731065.db2.gz QCSNPKBNKUSKCY-CABCVRRESA-N 1 1 380.412 -0.060 20 0 GBADMO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001571161078 952731060 /nfs/dbraw/zinc/73/10/60/952731060.db2.gz QCSNPKBNKUSKCY-CABCVRRESA-N 1 1 380.412 -0.060 20 0 GBADMO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571161237 952731830 /nfs/dbraw/zinc/73/18/30/952731830.db2.gz SBUUPGSRFDUAKW-CVEARBPZSA-N 1 1 380.412 -0.060 20 0 GBADMO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571161237 952731824 /nfs/dbraw/zinc/73/18/24/952731824.db2.gz SBUUPGSRFDUAKW-CVEARBPZSA-N 1 1 380.412 -0.060 20 0 GBADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)ccc1=O ZINC001571161441 952733098 /nfs/dbraw/zinc/73/30/98/952733098.db2.gz VRDWNCPKSVHJHY-AWEZNQCLSA-N 1 1 380.412 -0.035 20 0 GBADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571165122 952747552 /nfs/dbraw/zinc/74/75/52/952747552.db2.gz CLOVMQZLFFLRTJ-UHFFFAOYSA-N 1 1 380.416 -0.412 20 0 GBADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571165192 952748620 /nfs/dbraw/zinc/74/86/20/952748620.db2.gz FKOHCNWJJGAIBI-FJJYHAOUSA-N 1 1 380.416 -0.366 20 0 GBADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571165193 952748064 /nfs/dbraw/zinc/74/80/64/952748064.db2.gz FKOHCNWJJGAIBI-UUIJZJDISA-N 1 1 380.416 -0.366 20 0 GBADMO Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571165501 952752533 /nfs/dbraw/zinc/75/25/33/952752533.db2.gz IJGDRRLXAXXDGZ-STQMWFEESA-N 1 1 380.416 -0.188 20 0 GBADMO O=C(Cn1cncn1)N1CC[C@@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571165790 952754573 /nfs/dbraw/zinc/75/45/73/952754573.db2.gz KTJAGHDFXYLMHE-GXTWGEPZSA-N 1 1 380.416 -0.019 20 0 GBADMO O=C(Cn1cncn1)N1CC[C@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571165791 952754151 /nfs/dbraw/zinc/75/41/51/952754151.db2.gz KTJAGHDFXYLMHE-JSGCOSHPSA-N 1 1 380.416 -0.019 20 0 GBADMO O=C(Cn1cncn1)N1CC[C@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571165792 952754602 /nfs/dbraw/zinc/75/46/02/952754602.db2.gz KTJAGHDFXYLMHE-OCCSQVGLSA-N 1 1 380.416 -0.019 20 0 GBADMO O=C(Cn1cncn1)N1CC[C@@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571165793 952755261 /nfs/dbraw/zinc/75/52/61/952755261.db2.gz KTJAGHDFXYLMHE-TZMCWYRMSA-N 1 1 380.416 -0.019 20 0 GBADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571166085 952757357 /nfs/dbraw/zinc/75/73/57/952757357.db2.gz NFURKWOTIJZPFG-LSDHHAIUSA-N 1 1 380.416 -0.414 20 0 GBADMO Cn1nnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)n1 ZINC001571166333 952761171 /nfs/dbraw/zinc/76/11/71/952761171.db2.gz QWUKSTBGOJSCKV-ZIAGYGMSSA-N 1 1 380.416 -0.263 20 0 GBADMO O=C(CCn1ccnn1)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571166666 952764163 /nfs/dbraw/zinc/76/41/63/952764163.db2.gz UTIODAHXKMNRLP-SWLSCSKDSA-N 1 1 380.416 -0.019 20 0 GBADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@@H]3C2)n1 ZINC001571166942 952767809 /nfs/dbraw/zinc/76/78/09/952767809.db2.gz YWKGEFFPVAUDNF-BETUJISGSA-N 1 1 380.416 -0.406 20 0 GBADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571166959 952768134 /nfs/dbraw/zinc/76/81/34/952768134.db2.gz ZFWPYACQVNEIBU-OKILXGFUSA-N 1 1 380.416 -0.556 20 0 GBADMO CCc1ncncc1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571170426 952785802 /nfs/dbraw/zinc/78/58/02/952785802.db2.gz JKSCJXLFEDUGIB-UKRRQHHQSA-N 1 1 381.400 -0.406 20 0 GBADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001571175070 952816901 /nfs/dbraw/zinc/81/69/01/952816901.db2.gz ONQUSYPQIMRJEX-ZWNOBZJWSA-N 1 1 381.400 -0.390 20 0 GBADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001571175421 952822921 /nfs/dbraw/zinc/82/29/21/952822921.db2.gz URDPDPQCUBPAEU-NOZJJQNGSA-N 1 1 381.400 -0.057 20 0 GBADMO CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001571175647 952823614 /nfs/dbraw/zinc/82/36/14/952823614.db2.gz YHIYWMBMBYXMFT-LLVKDONJSA-N 1 1 381.400 -0.294 20 0 GBADMO CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001571175648 952824204 /nfs/dbraw/zinc/82/42/04/952824204.db2.gz YHIYWMBMBYXMFT-NSHDSACASA-N 1 1 381.400 -0.294 20 0 GBADMO Cc1ncc(C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)c(C)n1 ZINC001571175968 952827741 /nfs/dbraw/zinc/82/77/41/952827741.db2.gz KCLYFWUKPWVALH-UKRRQHHQSA-N 1 1 381.400 -0.352 20 0 GBADMO Cc1ccnc(C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571176122 952829212 /nfs/dbraw/zinc/82/92/12/952829212.db2.gz LWYPRLOOWTZMKV-GFCCVEGCSA-N 1 1 381.400 -0.005 20 0 GBADMO Cc1ccnc(C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571176123 952829032 /nfs/dbraw/zinc/82/90/32/952829032.db2.gz LWYPRLOOWTZMKV-LBPRGKRZSA-N 1 1 381.400 -0.005 20 0 GBADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21 ZINC001571176546 952833343 /nfs/dbraw/zinc/83/33/43/952833343.db2.gz UIVOXRAHHMDDMO-HBYGRHMLSA-N 1 1 381.400 -0.413 20 0 GBADMO O=C(Cn1cnnn1)N1CC[C@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178454 952842039 /nfs/dbraw/zinc/84/20/39/952842039.db2.gz JIPCSKWBKUDYER-AAEUAGOBSA-N 1 1 381.404 -0.624 20 0 GBADMO O=C(Cn1cnnn1)N1CC[C@@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178455 952841662 /nfs/dbraw/zinc/84/16/62/952841662.db2.gz JIPCSKWBKUDYER-DGCLKSJQSA-N 1 1 381.404 -0.624 20 0 GBADMO O=C(Cn1cnnn1)N1CC[C@@H]2[C@@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178456 952841981 /nfs/dbraw/zinc/84/19/81/952841981.db2.gz JIPCSKWBKUDYER-WCQYABFASA-N 1 1 381.404 -0.624 20 0 GBADMO O=C(Cn1cnnn1)N1CC[C@H]2[C@H](CCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178457 952842522 /nfs/dbraw/zinc/84/25/22/952842522.db2.gz JIPCSKWBKUDYER-YPMHNXCESA-N 1 1 381.404 -0.624 20 0 GBADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CC1=O ZINC001571183233 952875606 /nfs/dbraw/zinc/87/56/06/952875606.db2.gz UBBJZMBVYKSTTB-AIANPOQGSA-N 1 1 381.440 -0.109 20 0 GBADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CC1=O ZINC001571183234 952875697 /nfs/dbraw/zinc/87/56/97/952875697.db2.gz UBBJZMBVYKSTTB-LJIGWXMPSA-N 1 1 381.440 -0.109 20 0 GBADMO O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001571188394 952915141 /nfs/dbraw/zinc/91/51/41/952915141.db2.gz AHQGIHYCUDHUQK-XYYAHUGASA-N 1 1 381.444 -0.449 20 0 GBADMO CS(=O)(=O)CC[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571188655 952918068 /nfs/dbraw/zinc/91/80/68/952918068.db2.gz FTNHOYLDCMTMFV-UHFFFAOYSA-N 1 1 381.462 -0.319 20 0 GBADMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571189827 952935989 /nfs/dbraw/zinc/93/59/89/952935989.db2.gz WFSOZJYVVXMADZ-LLVKDONJSA-N 1 1 381.462 -0.176 20 0 GBADMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571189827 952935983 /nfs/dbraw/zinc/93/59/83/952935983.db2.gz WFSOZJYVVXMADZ-LLVKDONJSA-N 1 1 381.462 -0.176 20 0 GBADMO CS(=O)(=O)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571189828 952936573 /nfs/dbraw/zinc/93/65/73/952936573.db2.gz WFSOZJYVVXMADZ-NSHDSACASA-N 1 1 381.462 -0.176 20 0 GBADMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571189828 952936566 /nfs/dbraw/zinc/93/65/66/952936566.db2.gz WFSOZJYVVXMADZ-NSHDSACASA-N 1 1 381.462 -0.176 20 0 GBADMO O=C(NC[C@@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1)c1ccc(=O)[nH]c1 ZINC001571193957 952955583 /nfs/dbraw/zinc/95/55/83/952955583.db2.gz BYONAXOYPZIJJU-GFCCVEGCSA-N 1 1 382.384 -0.003 20 0 GBADMO O=C(NC[C@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1)c1ccc(=O)[nH]c1 ZINC001571193958 952956120 /nfs/dbraw/zinc/95/61/20/952956120.db2.gz BYONAXOYPZIJJU-LBPRGKRZSA-N 1 1 382.384 -0.003 20 0 GBADMO COc1cccc(C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001571194007 952955551 /nfs/dbraw/zinc/95/55/51/952955551.db2.gz DUFSWDDVNZTYKH-OCCSQVGLSA-N 1 1 382.384 -0.355 20 0 GBADMO Cc1cc(=O)c(C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)c[nH]1 ZINC001571194418 952962734 /nfs/dbraw/zinc/96/27/34/952962734.db2.gz LVEFUWGKZQBWRO-DOMZBBRYSA-N 1 1 382.384 -0.762 20 0 GBADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)c1 ZINC001571200142 953007858 /nfs/dbraw/zinc/00/78/58/953007858.db2.gz BCHQGHXENYQROF-CVEARBPZSA-N 1 1 382.428 -0.267 20 0 GBADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571200457 953009026 /nfs/dbraw/zinc/00/90/26/953009026.db2.gz CHPVQBQREYZVPH-CABCVRRESA-N 1 1 382.428 -0.116 20 0 GBADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571200457 953009021 /nfs/dbraw/zinc/00/90/21/953009021.db2.gz CHPVQBQREYZVPH-CABCVRRESA-N 1 1 382.428 -0.116 20 0 GBADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n(C)n1 ZINC001571200509 953009911 /nfs/dbraw/zinc/00/99/11/953009911.db2.gz CSAQJTAOSVDINN-GDBMZVCRSA-N 1 1 382.428 -0.116 20 0 GBADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n(C)n1 ZINC001571200509 953009905 /nfs/dbraw/zinc/00/99/05/953009905.db2.gz CSAQJTAOSVDINN-GDBMZVCRSA-N 1 1 382.428 -0.116 20 0 GBADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n(C)c1=O ZINC001571204698 953032706 /nfs/dbraw/zinc/03/27/06/953032706.db2.gz CDSZOCDHIIETLT-AWEZNQCLSA-N 1 1 382.428 -0.092 20 0 GBADMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571205018 953035037 /nfs/dbraw/zinc/03/50/37/953035037.db2.gz FNXRISHTXBSHPE-CVEARBPZSA-N 1 1 382.428 -0.496 20 0 GBADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1C ZINC001571205039 953034308 /nfs/dbraw/zinc/03/43/08/953034308.db2.gz FTTMGOWFUZMKQD-ZBFHGGJFSA-N 1 1 382.428 -0.116 20 0 GBADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1C ZINC001571205039 953034301 /nfs/dbraw/zinc/03/43/01/953034301.db2.gz FTTMGOWFUZMKQD-ZBFHGGJFSA-N 1 1 382.428 -0.116 20 0 GBADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001571205766 953042328 /nfs/dbraw/zinc/04/23/28/953042328.db2.gz AOHPWQOBOFTKCF-HNNXBMFYSA-N 1 1 382.432 -0.024 20 0 GBADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001571205767 953042584 /nfs/dbraw/zinc/04/25/84/953042584.db2.gz AOHPWQOBOFTKCF-OAHLLOKOSA-N 1 1 382.432 -0.024 20 0 GBADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571206551 953052236 /nfs/dbraw/zinc/05/22/36/953052236.db2.gz QUBOOQZISDHPBY-HUUCEWRRSA-N 1 1 382.428 -0.116 20 0 GBADMO 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Cn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n(C)c1=O ZINC001571206626 953052688 /nfs/dbraw/zinc/05/26/88/953052688.db2.gz SAHHNIXQYYNHTO-CQSZACIVSA-N 1 1 382.428 -0.092 20 0 GBADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n(C)c1=O ZINC001571206626 953052684 /nfs/dbraw/zinc/05/26/84/953052684.db2.gz SAHHNIXQYYNHTO-CQSZACIVSA-N 1 1 382.428 -0.092 20 0 GBADMO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571206702 953054137 /nfs/dbraw/zinc/05/41/37/953054137.db2.gz JLPZMSXNUYJWOV-UHFFFAOYSA-N 1 1 382.432 -0.024 20 0 GBADMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571206850 953056672 /nfs/dbraw/zinc/05/66/72/953056672.db2.gz LKRSVZAAWWQKCK-HNNXBMFYSA-N 1 1 382.432 -0.024 20 0 GBADMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571206852 953056624 /nfs/dbraw/zinc/05/66/24/953056624.db2.gz LKRSVZAAWWQKCK-OAHLLOKOSA-N 1 1 382.432 -0.024 20 0 GBADMO O=C(C[NH+]1CCC(Cc2nn[nH]n2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001571209672 953066401 /nfs/dbraw/zinc/06/64/01/953066401.db2.gz ASJSSGKEWJGQKL-UHFFFAOYSA-N 1 1 382.432 -0.049 20 0 GBADMO O=C(CCn1cnnn1)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571209915 953068614 /nfs/dbraw/zinc/06/86/14/953068614.db2.gz IPDBGHHROVSYBD-UHFFFAOYSA-N 1 1 382.432 -0.022 20 0 GBADMO Cc1nc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001571212106 953083857 /nfs/dbraw/zinc/08/38/57/953083857.db2.gz IXIUQKIYGQNPRN-NHAGDIPZSA-N 1 1 382.432 -0.237 20 0 GBADMO Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@]3(C)C2)nn1 ZINC001571212351 953086944 /nfs/dbraw/zinc/08/69/44/953086944.db2.gz MDTYJSXGVRGMDO-PXAZEXFGSA-N 1 1 382.432 -0.083 20 0 GBADMO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@]3(C)C2)nn1 ZINC001571212351 953086941 /nfs/dbraw/zinc/08/69/41/953086941.db2.gz MDTYJSXGVRGMDO-PXAZEXFGSA-N 1 1 382.432 -0.083 20 0 GBADMO O=C(c1cnon1)N1CC[C@@]2(C1)CN(c1cc[nH+]cc1-c1nn[nH]n1)CCO2 ZINC001571217018 953105777 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KMXVRRZWDGZKAE-UHFFFAOYSA-N 1 1 383.416 -0.134 20 0 GBADMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1-c1nn[nH]n1 ZINC001571223004 953140581 /nfs/dbraw/zinc/14/05/81/953140581.db2.gz OZNUFGBLKYZYCB-CYBMUJFWSA-N 1 1 383.416 -0.143 20 0 GBADMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)cc1-c1nn[nH]n1 ZINC001571223007 953140895 /nfs/dbraw/zinc/14/08/95/953140895.db2.gz OZNUFGBLKYZYCB-ZDUSSCGKSA-N 1 1 383.416 -0.143 20 0 GBADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001571223538 953145190 /nfs/dbraw/zinc/14/51/90/953145190.db2.gz UOLCRWCMKDOXKF-HUUCEWRRSA-N 1 1 383.416 -0.547 20 0 GBADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001571223538 953145187 /nfs/dbraw/zinc/14/51/87/953145187.db2.gz UOLCRWCMKDOXKF-HUUCEWRRSA-N 1 1 383.416 -0.547 20 0 GBADMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571223558 953145206 /nfs/dbraw/zinc/14/52/06/953145206.db2.gz VIPSSMLVEFLEEX-HAQNSBGRSA-N 1 1 383.416 -0.027 20 0 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CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571260047 945405142 /nfs/dbraw/zinc/40/51/42/945405142.db2.gz NQZXMMGOVXGOGF-ZWNOBZJWSA-N 1 1 385.436 -0.158 20 0 GBADMO O=C(N[C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260091 945407551 /nfs/dbraw/zinc/40/75/51/945407551.db2.gz OTQDQBHZSZCKOT-KBPBESRZSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260096 945407946 /nfs/dbraw/zinc/40/79/46/945407946.db2.gz OTQDQBHZSZCKOT-KGLIPLIRSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260098 945407913 /nfs/dbraw/zinc/40/79/13/945407913.db2.gz OTQDQBHZSZCKOT-UONOGXRCSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260100 945407811 /nfs/dbraw/zinc/40/78/11/945407811.db2.gz OTQDQBHZSZCKOT-ZIAGYGMSSA-N 1 1 385.432 -0.353 20 0 GBADMO 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O=C(N[C@@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260344 945411814 /nfs/dbraw/zinc/41/18/14/945411814.db2.gz PYFXYRKNIKKPLH-KGLIPLIRSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260345 945412394 /nfs/dbraw/zinc/41/23/94/945412394.db2.gz PYFXYRKNIKKPLH-UONOGXRCSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260346 945411544 /nfs/dbraw/zinc/41/15/44/945411544.db2.gz PYFXYRKNIKKPLH-ZIAGYGMSSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260408 945414468 /nfs/dbraw/zinc/41/44/68/945414468.db2.gz RULPUGVNTWFNRC-QWHCGFSZSA-N 1 1 385.432 -0.353 20 0 GBADMO O=C(N[C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260409 945413751 /nfs/dbraw/zinc/41/37/51/945413751.db2.gz RULPUGVNTWFNRC-STQMWFEESA-N 1 1 385.432 -0.353 20 0 GBADMO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260514 945416050 /nfs/dbraw/zinc/41/60/50/945416050.db2.gz VGNXXLPQPNKWNY-HUUCEWRRSA-N 1 1 385.432 -0.400 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571260515 945416615 /nfs/dbraw/zinc/41/66/15/945416615.db2.gz VHAPXGKCFYVLPW-XYPYZODXSA-N 1 1 385.436 -0.013 20 0 GBADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260672 945420547 /nfs/dbraw/zinc/42/05/47/945420547.db2.gz YVEQDXBCRRBLMQ-SWHYSGLUSA-N 1 1 385.432 -0.445 20 0 GBADMO Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001571260689 945423573 /nfs/dbraw/zinc/42/35/73/945423573.db2.gz ZNIDJIIZZPLNCK-DZGCQCFKSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001571260689 945423569 /nfs/dbraw/zinc/42/35/69/945423569.db2.gz ZNIDJIIZZPLNCK-DZGCQCFKSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001571260690 945423184 /nfs/dbraw/zinc/42/31/84/945423184.db2.gz ZNIDJIIZZPLNCK-HIFRSBDPSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001571260690 945423181 /nfs/dbraw/zinc/42/31/81/945423181.db2.gz ZNIDJIIZZPLNCK-HIFRSBDPSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001571260691 945423500 /nfs/dbraw/zinc/42/35/00/945423500.db2.gz ZNIDJIIZZPLNCK-UKRRQHHQSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001571260691 945423496 /nfs/dbraw/zinc/42/34/96/945423496.db2.gz ZNIDJIIZZPLNCK-UKRRQHHQSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001571260692 945423038 /nfs/dbraw/zinc/42/30/38/945423038.db2.gz ZNIDJIIZZPLNCK-ZFWWWQNUSA-N 1 1 385.432 -0.398 20 0 GBADMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001571260692 945423036 /nfs/dbraw/zinc/42/30/36/945423036.db2.gz ZNIDJIIZZPLNCK-ZFWWWQNUSA-N 1 1 385.432 -0.398 20 0 GBADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263948 945471076 /nfs/dbraw/zinc/47/10/76/945471076.db2.gz COIOZXPOKNHESN-XKQJLSEDSA-N 1 1 385.472 -0.130 20 0 GBADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263949 945471625 /nfs/dbraw/zinc/47/16/25/945471625.db2.gz COIOZXPOKNHESN-XYPHTWIQSA-N 1 1 385.472 -0.130 20 0 GBADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264035 945473556 /nfs/dbraw/zinc/47/35/56/945473556.db2.gz FBUZAKTXAPJJNR-OIISXLGYSA-N 1 1 385.472 -0.130 20 0 GBADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264035 945473553 /nfs/dbraw/zinc/47/35/53/945473553.db2.gz FBUZAKTXAPJJNR-OIISXLGYSA-N 1 1 385.472 -0.130 20 0 GBADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264036 945473905 /nfs/dbraw/zinc/47/39/05/945473905.db2.gz FBUZAKTXAPJJNR-UAGQMJEPSA-N 1 1 385.472 -0.130 20 0 GBADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264036 945473902 /nfs/dbraw/zinc/47/39/02/945473902.db2.gz FBUZAKTXAPJJNR-UAGQMJEPSA-N 1 1 385.472 -0.130 20 0 GBADMO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571265561 945514203 /nfs/dbraw/zinc/51/42/03/945514203.db2.gz LVAGXXHQFGNHSQ-TZMCWYRMSA-N 1 1 385.476 -0.073 20 0 GBADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C(F)(F)F)C(N)=O ZINC001571267032 945559877 /nfs/dbraw/zinc/55/98/77/945559877.db2.gz HBCDCDIZCXRQFB-BRDIYROLSA-N 1 1 386.338 -0.339 20 0 GBADMO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C(F)(F)F)C(N)=O ZINC001571267033 945558901 /nfs/dbraw/zinc/55/89/01/945558901.db2.gz HBCDCDIZCXRQFB-NYNCVSEMSA-N 1 1 386.338 -0.339 20 0 GBADMO COCc1cc(C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)no1 ZINC001571267177 945563530 /nfs/dbraw/zinc/56/35/30/945563530.db2.gz LSSVRWGWFWHZFC-TZMCWYRMSA-N 1 1 386.372 -0.624 20 0 GBADMO COc1nc(C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)co1 ZINC001571267411 945569028 /nfs/dbraw/zinc/56/90/28/945569028.db2.gz URWDTFRFURDZDH-JTQLQIEISA-N 1 1 386.372 -0.107 20 0 GBADMO COc1nc(C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)co1 ZINC001571267412 945568920 /nfs/dbraw/zinc/56/89/20/945568920.db2.gz URWDTFRFURDZDH-SNVBAGLBSA-N 1 1 386.372 -0.107 20 0 GBADMO CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001571267635 945575370 /nfs/dbraw/zinc/57/53/70/945575370.db2.gz ARONCIJBXCZCLD-YRGRVCCFSA-N 1 1 386.416 -0.750 20 0 GBADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001571267660 945575111 /nfs/dbraw/zinc/57/51/11/945575111.db2.gz BFKWRNZPHSIHGY-GFCCVEGCSA-N 1 1 386.395 -0.076 20 0 GBADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001571267660 945575108 /nfs/dbraw/zinc/57/51/08/945575108.db2.gz BFKWRNZPHSIHGY-GFCCVEGCSA-N 1 1 386.395 -0.076 20 0 GBADMO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001571267665 945575884 /nfs/dbraw/zinc/57/58/84/945575884.db2.gz BJZGABZDNFTASJ-DGCLKSJQSA-N 1 1 386.416 -0.939 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001571267696 945577847 /nfs/dbraw/zinc/57/78/47/945577847.db2.gz BVXIETRTMYRDEJ-QMTHXVAHSA-N 1 1 386.395 -0.371 20 0 GBADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571267803 945579040 /nfs/dbraw/zinc/57/90/40/945579040.db2.gz FGSYYXYUJOYPHD-CYBMUJFWSA-N 1 1 386.395 -0.227 20 0 GBADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571267803 945579035 /nfs/dbraw/zinc/57/90/35/945579035.db2.gz FGSYYXYUJOYPHD-CYBMUJFWSA-N 1 1 386.395 -0.227 20 0 GBADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571267804 945580245 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ICZRIYQPEWRHER-CYBMUJFWSA-N 1 1 386.395 -0.227 20 0 GBADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571267899 945582064 /nfs/dbraw/zinc/58/20/64/945582064.db2.gz ICZRIYQPEWRHER-CYBMUJFWSA-N 1 1 386.395 -0.227 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001571267903 945581546 /nfs/dbraw/zinc/58/15/46/945581546.db2.gz IHEVLAOMLUISRG-QMTHXVAHSA-N 1 1 386.395 -0.371 20 0 GBADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571267943 945584261 /nfs/dbraw/zinc/58/42/61/945584261.db2.gz JOCCIPYYIXVNCM-RNCFNFMXSA-N 1 1 386.395 -0.078 20 0 GBADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571267943 945584256 /nfs/dbraw/zinc/58/42/56/945584256.db2.gz JOCCIPYYIXVNCM-RNCFNFMXSA-N 1 1 386.395 -0.078 20 0 GBADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571268086 945588368 /nfs/dbraw/zinc/58/83/68/945588368.db2.gz NQCYZUBKEMSDQH-CYBMUJFWSA-N 1 1 386.395 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C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001571286510 945950575 /nfs/dbraw/zinc/95/05/75/945950575.db2.gz JRVSPQNOWZHXNJ-MJVIPROJSA-N 1 1 388.432 -0.850 20 0 GBADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001571286510 945950570 /nfs/dbraw/zinc/95/05/70/945950570.db2.gz JRVSPQNOWZHXNJ-MJVIPROJSA-N 1 1 388.432 -0.850 20 0 GBADMO CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286585 945952714 /nfs/dbraw/zinc/95/27/14/945952714.db2.gz LMRGWEJFXXQFGX-HZSPNIEDSA-N 1 1 388.432 -0.755 20 0 GBADMO CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286586 945952529 /nfs/dbraw/zinc/95/25/29/945952529.db2.gz LMRGWEJFXXQFGX-MGPQQGTHSA-N 1 1 388.432 -0.755 20 0 GBADMO CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571286835 945960549 /nfs/dbraw/zinc/96/05/49/945960549.db2.gz SSLZTGHGRWKQPF-LERXQTSPSA-N 1 1 388.432 -0.898 20 0 GBADMO CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571286836 945960206 /nfs/dbraw/zinc/96/02/06/945960206.db2.gz SSLZTGHGRWKQPF-ZLKJLUDKSA-N 1 1 388.432 -0.898 20 0 GBADMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001571287068 945967719 /nfs/dbraw/zinc/96/77/19/945967719.db2.gz ZPXRYCFKJXZNIW-IJEWVQPXSA-N 1 1 388.428 -0.284 20 0 GBADMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001571287068 945967714 /nfs/dbraw/zinc/96/77/14/945967714.db2.gz ZPXRYCFKJXZNIW-IJEWVQPXSA-N 1 1 388.428 -0.284 20 0 GBADMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001571287069 945967743 /nfs/dbraw/zinc/96/77/43/945967743.db2.gz ZPXRYCFKJXZNIW-YCPHGPKFSA-N 1 1 388.428 -0.284 20 0 GBADMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001571287069 945967739 /nfs/dbraw/zinc/96/77/39/945967739.db2.gz ZPXRYCFKJXZNIW-YCPHGPKFSA-N 1 1 388.428 -0.284 20 0 GBADMO O=C(NC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287630 945975771 /nfs/dbraw/zinc/97/57/71/945975771.db2.gz GLUZBHHKEHVIIR-GXTWGEPZSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287630 945975764 /nfs/dbraw/zinc/97/57/64/945975764.db2.gz GLUZBHHKEHVIIR-GXTWGEPZSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287631 945975437 /nfs/dbraw/zinc/97/54/37/945975437.db2.gz GLUZBHHKEHVIIR-JSGCOSHPSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287631 945975430 /nfs/dbraw/zinc/97/54/30/945975430.db2.gz GLUZBHHKEHVIIR-JSGCOSHPSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287632 945975674 /nfs/dbraw/zinc/97/56/74/945975674.db2.gz GLUZBHHKEHVIIR-OCCSQVGLSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287632 945975669 /nfs/dbraw/zinc/97/56/69/945975669.db2.gz GLUZBHHKEHVIIR-OCCSQVGLSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287633 945975483 /nfs/dbraw/zinc/97/54/83/945975483.db2.gz GLUZBHHKEHVIIR-TZMCWYRMSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571287633 945975481 /nfs/dbraw/zinc/97/54/81/945975481.db2.gz GLUZBHHKEHVIIR-TZMCWYRMSA-N 1 1 388.432 -0.706 20 0 GBADMO O=C(C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC001571288065 945983363 /nfs/dbraw/zinc/98/33/63/945983363.db2.gz LUOZGZWADXXRFU-GFCCVEGCSA-N 1 1 388.432 -0.895 20 0 GBADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC001571288070 945982394 /nfs/dbraw/zinc/98/23/94/945982394.db2.gz LUOZGZWADXXRFU-LBPRGKRZSA-N 1 1 388.432 -0.895 20 0 GBADMO O=C(C[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)N1CCOCC1 ZINC001571289291 946000685 /nfs/dbraw/zinc/00/06/85/946000685.db2.gz YZURXRQBSVZHJN-UHFFFAOYSA-N 1 1 388.432 -0.752 20 0 GBADMO CC(C)[C@H](C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571289359 946003331 /nfs/dbraw/zinc/00/33/31/946003331.db2.gz ALOAPPGMVCLBAQ-CZUORRHYSA-N 1 1 388.476 -0.091 20 0 GBADMO CC(C)[C@H](C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571289360 946003915 /nfs/dbraw/zinc/00/39/15/946003915.db2.gz ALOAPPGMVCLBAQ-XJKSGUPXSA-N 1 1 388.476 -0.091 20 0 GBADMO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001571289632 946013536 /nfs/dbraw/zinc/01/35/36/946013536.db2.gz JCOOQOPVXFLZCT-GFCCVEGCSA-N 1 1 388.461 -0.059 20 0 GBADMO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC001571289633 946013028 /nfs/dbraw/zinc/01/30/28/946013028.db2.gz JCOOQOPVXFLZCT-LBPRGKRZSA-N 1 1 388.461 -0.059 20 0 GBADMO Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cs1 ZINC001571290142 946031419 /nfs/dbraw/zinc/03/14/19/946031419.db2.gz VYKAUGGWNMYPFM-ZIAGYGMSSA-N 1 1 388.457 -0.023 20 0 GBADMO Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cs1 ZINC001571290142 946031410 /nfs/dbraw/zinc/03/14/10/946031410.db2.gz VYKAUGGWNMYPFM-ZIAGYGMSSA-N 1 1 388.457 -0.023 20 0 GBADMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571293591 946110653 /nfs/dbraw/zinc/11/06/53/946110653.db2.gz MBHRDTCMRXFOEI-UHFFFAOYSA-N 1 1 389.445 -0.058 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294014 946122468 /nfs/dbraw/zinc/12/24/68/946122468.db2.gz YJDXMPMRGOPKRQ-BZUAXINKSA-N 1 1 389.435 -0.239 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294015 946123054 /nfs/dbraw/zinc/12/30/54/946123054.db2.gz YJDXMPMRGOPKRQ-OWCLPIDISA-N 1 1 389.435 -0.239 20 0 GBADMO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001571294287 946129867 /nfs/dbraw/zinc/12/98/67/946129867.db2.gz CZXCDKAQEIXVHY-KOLCDFICSA-N 1 1 389.807 -0.074 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)CC[N@H+]1C ZINC001571295686 946171356 /nfs/dbraw/zinc/17/13/56/946171356.db2.gz CFIMPKUJGQZKTQ-IMJCEVDSSA-N 1 1 390.423 -0.593 20 0 GBADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)CC[N@H+]1C ZINC001571295687 946171021 /nfs/dbraw/zinc/17/10/21/946171021.db2.gz CFIMPKUJGQZKTQ-WGEPELCKSA-N 1 1 390.423 -0.593 20 0 GBADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295892 946177722 /nfs/dbraw/zinc/17/77/22/946177722.db2.gz IPJCUBIZWJNRFW-BXUZGUMPSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295892 946177712 /nfs/dbraw/zinc/17/77/12/946177712.db2.gz IPJCUBIZWJNRFW-BXUZGUMPSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295893 946177192 /nfs/dbraw/zinc/17/71/92/946177192.db2.gz IPJCUBIZWJNRFW-FZMZJTMJSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295893 946177185 /nfs/dbraw/zinc/17/71/85/946177185.db2.gz IPJCUBIZWJNRFW-FZMZJTMJSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295894 946176726 /nfs/dbraw/zinc/17/67/26/946176726.db2.gz IPJCUBIZWJNRFW-RISCZKNCSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295894 946176716 /nfs/dbraw/zinc/17/67/16/946176716.db2.gz IPJCUBIZWJNRFW-RISCZKNCSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295895 946177575 /nfs/dbraw/zinc/17/75/75/946177575.db2.gz IPJCUBIZWJNRFW-SMDDNHRTSA-N 1 1 390.423 -0.326 20 0 GBADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571295895 946177566 /nfs/dbraw/zinc/17/75/66/946177566.db2.gz IPJCUBIZWJNRFW-SMDDNHRTSA-N 1 1 390.423 -0.326 20 0 GBADMO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001571296037 946183176 /nfs/dbraw/zinc/18/31/76/946183176.db2.gz MJQVRKBGCCLULY-CRAIPNDOSA-N 1 1 390.444 -0.263 20 0 GBADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001571296038 946183218 /nfs/dbraw/zinc/18/32/18/946183218.db2.gz MJQVRKBGCCLULY-MAUKXSAKSA-N 1 1 390.444 -0.263 20 0 GBADMO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001571296039 946181395 /nfs/dbraw/zinc/18/13/95/946181395.db2.gz MJQVRKBGCCLULY-QAPCUYQASA-N 1 1 390.444 -0.263 20 0 GBADMO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001571296040 946181698 /nfs/dbraw/zinc/18/16/98/946181698.db2.gz MJQVRKBGCCLULY-YJBOKZPZSA-N 1 1 390.444 -0.263 20 0 GBADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001571297824 946199232 /nfs/dbraw/zinc/19/92/32/946199232.db2.gz AKXMPPDLUVFLDR-CMPLNLGQSA-N 1 1 390.473 -0.110 20 0 GBADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001571297825 946199115 /nfs/dbraw/zinc/19/91/15/946199115.db2.gz AKXMPPDLUVFLDR-JQWIXIFHSA-N 1 1 390.473 -0.110 20 0 GBADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001571297826 946198297 /nfs/dbraw/zinc/19/82/97/946198297.db2.gz AKXMPPDLUVFLDR-PWSUYJOCSA-N 1 1 390.473 -0.110 20 0 GBADMO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001571297827 946199735 /nfs/dbraw/zinc/19/97/35/946199735.db2.gz AKXMPPDLUVFLDR-ZYHUDNBSSA-N 1 1 390.473 -0.110 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001571298508 946219724 /nfs/dbraw/zinc/21/97/24/946219724.db2.gz PPMHZNVHUXXEHJ-JLLWLGSASA-N 1 1 390.473 -0.112 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001571298509 946219429 /nfs/dbraw/zinc/21/94/29/946219429.db2.gz PPMHZNVHUXXEHJ-YUSALJHKSA-N 1 1 390.473 -0.112 20 0 GBADMO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CS(=O)(=O)C1 ZINC001571299224 946244073 /nfs/dbraw/zinc/24/40/73/946244073.db2.gz UYVONUPVSHVBFR-UHFFFAOYSA-N 1 1 390.469 -0.008 20 0 GBADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299571 946252817 /nfs/dbraw/zinc/25/28/17/946252817.db2.gz XPNQSARIMGATCN-GGAZOKNXSA-N 1 1 390.469 -0.128 20 0 GBADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299572 946254670 /nfs/dbraw/zinc/25/46/70/946254670.db2.gz XPNQSARIMGATCN-JYKNGBAOSA-N 1 1 390.469 -0.128 20 0 GBADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299573 946254923 /nfs/dbraw/zinc/25/49/23/946254923.db2.gz XPNQSARIMGATCN-OKWIKPQFSA-N 1 1 390.469 -0.128 20 0 GBADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299574 946253770 /nfs/dbraw/zinc/25/37/70/946253770.db2.gz XPNQSARIMGATCN-WHRXGGIHSA-N 1 1 390.469 -0.128 20 0 GBADMO CN1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)NC1=O ZINC001571299727 946258952 /nfs/dbraw/zinc/25/89/52/946258952.db2.gz ZQIBYQRAPCMJIC-GFCCVEGCSA-N 1 1 390.473 -0.014 20 0 GBADMO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)NC1=O ZINC001571299727 946258946 /nfs/dbraw/zinc/25/89/46/946258946.db2.gz ZQIBYQRAPCMJIC-GFCCVEGCSA-N 1 1 390.473 -0.014 20 0 GBADMO CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)NC1=O ZINC001571299729 946259484 /nfs/dbraw/zinc/25/94/84/946259484.db2.gz ZQIBYQRAPCMJIC-LBPRGKRZSA-N 1 1 390.473 -0.014 20 0 GBADMO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)NC1=O ZINC001571299729 946259471 /nfs/dbraw/zinc/25/94/71/946259471.db2.gz ZQIBYQRAPCMJIC-LBPRGKRZSA-N 1 1 390.473 -0.014 20 0 GBADMO O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCCS1(=O)=O ZINC001571305759 946375985 /nfs/dbraw/zinc/37/59/85/946375985.db2.gz BVCJMIHGITYTKD-BXUZGUMPSA-N 1 1 391.457 -0.076 20 0 GBADMO O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCCS1(=O)=O ZINC001571305760 946374759 /nfs/dbraw/zinc/37/47/59/946374759.db2.gz BVCJMIHGITYTKD-RISCZKNCSA-N 1 1 391.457 -0.076 20 0 GBADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571306777 946410034 /nfs/dbraw/zinc/41/00/34/946410034.db2.gz PVNYKOPBLZIIRN-LLVKDONJSA-N 1 1 391.457 -0.523 20 0 GBADMO NS(=O)(=O)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306953 946411936 /nfs/dbraw/zinc/41/19/36/946411936.db2.gz SAPSXXFUHJWYEP-BXUZGUMPSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306953 946411931 /nfs/dbraw/zinc/41/19/31/946411931.db2.gz SAPSXXFUHJWYEP-BXUZGUMPSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306954 946412557 /nfs/dbraw/zinc/41/25/57/946412557.db2.gz SAPSXXFUHJWYEP-FZMZJTMJSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306954 946412551 /nfs/dbraw/zinc/41/25/51/946412551.db2.gz SAPSXXFUHJWYEP-FZMZJTMJSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306955 946411633 /nfs/dbraw/zinc/41/16/33/946411633.db2.gz SAPSXXFUHJWYEP-RISCZKNCSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306955 946411623 /nfs/dbraw/zinc/41/16/23/946411623.db2.gz SAPSXXFUHJWYEP-RISCZKNCSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306956 946412599 /nfs/dbraw/zinc/41/25/99/946412599.db2.gz SAPSXXFUHJWYEP-SMDDNHRTSA-N 1 1 391.457 -0.418 20 0 GBADMO NS(=O)(=O)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571306956 946412594 /nfs/dbraw/zinc/41/25/94/946412594.db2.gz SAPSXXFUHJWYEP-SMDDNHRTSA-N 1 1 391.457 -0.418 20 0 GBADMO O=C(N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCS1(=O)=O ZINC001571306971 946414622 /nfs/dbraw/zinc/41/46/22/946414622.db2.gz SGWCFMRQNOYYDZ-BXUZGUMPSA-N 1 1 391.457 -0.076 20 0 GBADMO O=C(N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571306972 946414943 /nfs/dbraw/zinc/41/49/43/946414943.db2.gz SGWCFMRQNOYYDZ-FZMZJTMJSA-N 1 1 391.457 -0.076 20 0 GBADMO O=C(N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571306973 946413877 /nfs/dbraw/zinc/41/38/77/946413877.db2.gz SGWCFMRQNOYYDZ-RISCZKNCSA-N 1 1 391.457 -0.076 20 0 GBADMO O=C(N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCS1(=O)=O ZINC001571306974 946414282 /nfs/dbraw/zinc/41/42/82/946414282.db2.gz SGWCFMRQNOYYDZ-SMDDNHRTSA-N 1 1 391.457 -0.076 20 0 GBADMO O=C(N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571307007 946413613 /nfs/dbraw/zinc/41/36/13/946413613.db2.gz TXMCUEJDBOGIGQ-NWDGAFQWSA-N 1 1 391.457 -0.219 20 0 GBADMO O=C(N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571307008 946413829 /nfs/dbraw/zinc/41/38/29/946413829.db2.gz TXMCUEJDBOGIGQ-VXGBXAGGSA-N 1 1 391.457 -0.219 20 0 GBADMO C[C@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571307032 946413724 /nfs/dbraw/zinc/41/37/24/946413724.db2.gz UVPLZBFOWKWFTD-CMPLNLGQSA-N 1 1 391.457 -0.220 20 0 GBADMO C[C@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571307033 946413805 /nfs/dbraw/zinc/41/38/05/946413805.db2.gz UVPLZBFOWKWFTD-JQWIXIFHSA-N 1 1 391.457 -0.220 20 0 GBADMO C[C@@H]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571307034 946414663 /nfs/dbraw/zinc/41/46/63/946414663.db2.gz UVPLZBFOWKWFTD-PWSUYJOCSA-N 1 1 391.457 -0.220 20 0 GBADMO C[C@@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571307035 946413887 /nfs/dbraw/zinc/41/38/87/946413887.db2.gz UVPLZBFOWKWFTD-ZYHUDNBSSA-N 1 1 391.457 -0.220 20 0 GBADMO O=C([C@@H]1CCCCS1(=O)=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571307156 946418574 /nfs/dbraw/zinc/41/85/74/946418574.db2.gz YOFDPHLZTRPINR-AWEZNQCLSA-N 1 1 391.457 -0.122 20 0 GBADMO O=C([C@H]1CCCCS1(=O)=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571307157 946418918 /nfs/dbraw/zinc/41/89/18/946418918.db2.gz YOFDPHLZTRPINR-CQSZACIVSA-N 1 1 391.457 -0.122 20 0 GBADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)cc1=O ZINC001571309800 946453741 /nfs/dbraw/zinc/45/37/41/946453741.db2.gz LECPUSUXJQBJEQ-HALDLXJZSA-N 1 1 392.423 -0.179 20 0 GBADMO O=C(CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC001571311018 946481000 /nfs/dbraw/zinc/48/10/00/946481000.db2.gz PUPKOJFVGSTBKD-LLVKDONJSA-N 1 1 392.445 -0.971 20 0 GBADMO O=C(CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC001571311018 946480991 /nfs/dbraw/zinc/48/09/91/946480991.db2.gz PUPKOJFVGSTBKD-LLVKDONJSA-N 1 1 392.445 -0.971 20 0 GBADMO O=C(CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC001571311019 946481597 /nfs/dbraw/zinc/48/15/97/946481597.db2.gz PUPKOJFVGSTBKD-NSHDSACASA-N 1 1 392.445 -0.971 20 0 GBADMO O=C(CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC001571311019 946481588 /nfs/dbraw/zinc/48/15/88/946481588.db2.gz PUPKOJFVGSTBKD-NSHDSACASA-N 1 1 392.445 -0.971 20 0 GBADMO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1-c1nn[nH]n1 ZINC001571317420 946608661 /nfs/dbraw/zinc/60/86/61/946608661.db2.gz HGCSMDPXGOIINI-DDHJBXDOSA-N 1 1 392.489 -0.362 20 0 GBADMO Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1-c1nn[nH]n1 ZINC001571317421 946609494 /nfs/dbraw/zinc/60/94/94/946609494.db2.gz HGCSMDPXGOIINI-KKOKHZNYSA-N 1 1 392.489 -0.362 20 0 GBADMO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571317479 946610366 /nfs/dbraw/zinc/61/03/66/946610366.db2.gz JIASPJZEMSOVDR-GRYCIOLGSA-N 1 1 392.489 -0.218 20 0 GBADMO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571317480 946612079 /nfs/dbraw/zinc/61/20/79/946612079.db2.gz JIASPJZEMSOVDR-IJLUTSLNSA-N 1 1 392.489 -0.218 20 0 GBADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573387854 947913138 /nfs/dbraw/zinc/91/31/38/947913138.db2.gz FEHMZPHNCNMGKO-HNNXBMFYSA-N 1 1 389.460 -0.404 20 0 GBADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573387855 947912097 /nfs/dbraw/zinc/91/20/97/947912097.db2.gz FEHMZPHNCNMGKO-OAHLLOKOSA-N 1 1 389.460 -0.404 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@@]1(CO)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573399357 947992164 /nfs/dbraw/zinc/99/21/64/947992164.db2.gz VQLQHUQGOFTUQV-KRWDZBQOSA-N 1 1 388.432 -0.813 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@]1(CO)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573399495 947991699 /nfs/dbraw/zinc/99/16/99/947991699.db2.gz VQLQHUQGOFTUQV-QGZVFWFLSA-N 1 1 388.432 -0.813 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573402261 947999943 /nfs/dbraw/zinc/99/99/43/947999943.db2.gz FLOOJIVWEGPYNU-CYBMUJFWSA-N 1 1 379.396 -0.949 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573402263 947999323 /nfs/dbraw/zinc/99/93/23/947999323.db2.gz FLOOJIVWEGPYNU-ZDUSSCGKSA-N 1 1 379.396 -0.949 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001573404197 948017190 /nfs/dbraw/zinc/01/71/90/948017190.db2.gz AEECJXXDJFQCJA-CYBMUJFWSA-N 1 1 388.432 -0.549 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCCO1 ZINC001573404198 948017127 /nfs/dbraw/zinc/01/71/27/948017127.db2.gz AEECJXXDJFQCJA-ZDUSSCGKSA-N 1 1 388.432 -0.549 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@@]1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573404229 948016852 /nfs/dbraw/zinc/01/68/52/948016852.db2.gz ASOXEHHHIZZAIH-KRWDZBQOSA-N 1 1 388.432 -0.549 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@]1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573404230 948017706 /nfs/dbraw/zinc/01/77/06/948017706.db2.gz ASOXEHHHIZZAIH-QGZVFWFLSA-N 1 1 388.432 -0.549 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573404378 948021163 /nfs/dbraw/zinc/02/11/63/948021163.db2.gz SSUJAHYJTWZSIS-CVEARBPZSA-N 1 1 387.444 -0.604 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573404379 948022669 /nfs/dbraw/zinc/02/26/69/948022669.db2.gz SSUJAHYJTWZSIS-HOTGVXAUSA-N 1 1 387.444 -0.604 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573404380 948022578 /nfs/dbraw/zinc/02/25/78/948022578.db2.gz SSUJAHYJTWZSIS-HZPDHXFCSA-N 1 1 387.444 -0.604 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573404381 948021378 /nfs/dbraw/zinc/02/13/78/948021378.db2.gz SSUJAHYJTWZSIS-JKSUJKDBSA-N 1 1 387.444 -0.604 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573404626 948028509 /nfs/dbraw/zinc/02/85/09/948028509.db2.gz HOLXQEHIUIXURJ-GOSISDBHSA-N 1 1 387.444 -0.602 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573404627 948029486 /nfs/dbraw/zinc/02/94/86/948029486.db2.gz HOLXQEHIUIXURJ-SFHVURJKSA-N 1 1 387.444 -0.602 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573405967 948051464 /nfs/dbraw/zinc/05/14/64/948051464.db2.gz ZPMRJLITGUCZJG-GOSISDBHSA-N 1 1 387.444 -0.602 20 0 GBADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573405968 948051705 /nfs/dbraw/zinc/05/17/05/948051705.db2.gz ZPMRJLITGUCZJG-SFHVURJKSA-N 1 1 387.444 -0.602 20 0 GBADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001573406411 948053624 /nfs/dbraw/zinc/05/36/24/948053624.db2.gz 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CC(=O)N1CC(C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001573424363 948149531 /nfs/dbraw/zinc/14/95/31/948149531.db2.gz YVEBELSFQIRRQL-CYBMUJFWSA-N 1 1 386.416 -0.939 20 0 GBADMO CC(=O)N1CC(C(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001573424364 948149348 /nfs/dbraw/zinc/14/93/48/948149348.db2.gz YVEBELSFQIRRQL-ZDUSSCGKSA-N 1 1 386.416 -0.939 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573425778 948152680 /nfs/dbraw/zinc/15/26/80/948152680.db2.gz CPFWVDDRHKSTQH-INWMFGNUSA-N 1 1 382.428 -0.034 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573425779 948153449 /nfs/dbraw/zinc/15/34/49/948153449.db2.gz CPFWVDDRHKSTQH-XPKDYRNWSA-N 1 1 382.428 -0.034 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001573425781 948152667 /nfs/dbraw/zinc/15/26/67/948152667.db2.gz CQJUJGKCIWBHLT-HZPDHXFCSA-N 1 1 385.428 -0.994 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001573425781 948152660 /nfs/dbraw/zinc/15/26/60/948152660.db2.gz CQJUJGKCIWBHLT-HZPDHXFCSA-N 1 1 385.428 -0.994 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001573425921 948153267 /nfs/dbraw/zinc/15/32/67/948153267.db2.gz FFYRIDYRVIVGTM-CVEARBPZSA-N 1 1 385.428 -0.994 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001573425922 948152469 /nfs/dbraw/zinc/15/24/69/948152469.db2.gz FFYRIDYRVIVGTM-HZPDHXFCSA-N 1 1 385.428 -0.994 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001573426046 948154209 /nfs/dbraw/zinc/15/42/09/948154209.db2.gz HEEJTERRLBXADU-CVEARBPZSA-N 1 1 385.428 -0.994 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001573426048 948155129 /nfs/dbraw/zinc/15/51/29/948155129.db2.gz HEEJTERRLBXADU-HZPDHXFCSA-N 1 1 385.428 -0.994 20 0 GBADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001573426646 948158893 /nfs/dbraw/zinc/15/88/93/948158893.db2.gz NLCGSNGBRLMDDA-FVQHAEBGSA-N 1 1 381.440 -0.109 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001573463005 945948741 /nfs/dbraw/zinc/94/87/41/945948741.db2.gz QOOVCPLKIWDYBK-GXTWGEPZSA-N 1 1 388.432 -0.768 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001573463006 945948653 /nfs/dbraw/zinc/94/86/53/945948653.db2.gz QOOVCPLKIWDYBK-JSGCOSHPSA-N 1 1 388.432 -0.768 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001573463007 945949724 /nfs/dbraw/zinc/94/97/24/945949724.db2.gz QOOVCPLKIWDYBK-OCCSQVGLSA-N 1 1 388.432 -0.768 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001573463111 945950270 /nfs/dbraw/zinc/95/02/70/945950270.db2.gz QOOVCPLKIWDYBK-TZMCWYRMSA-N 1 1 388.432 -0.768 20 0 GBADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573463466 945957313 /nfs/dbraw/zinc/95/73/13/945957313.db2.gz WSNBHFAKHHOOEQ-KRWDZBQOSA-N 1 1 388.432 -0.766 20 0 GBADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573463467 945956275 /nfs/dbraw/zinc/95/62/75/945956275.db2.gz WSNBHFAKHHOOEQ-QGZVFWFLSA-N 1 1 388.432 -0.766 20 0 GBADMO CC(=O)NC(C)(C)C(=O)NC[C@@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573464501 945965489 /nfs/dbraw/zinc/96/54/89/945965489.db2.gz LBHFKJHKQPXXLS-GFCCVEGCSA-N 1 1 388.432 -0.502 20 0 GBADMO CC(=O)NC(C)(C)C(=O)NC[C@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573464502 945966507 /nfs/dbraw/zinc/96/65/07/945966507.db2.gz LBHFKJHKQPXXLS-LBPRGKRZSA-N 1 1 388.432 -0.502 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573464832 945969535 /nfs/dbraw/zinc/96/95/35/945969535.db2.gz PYXPGINAUXUCPE-CABCVRRESA-N 1 1 387.444 -0.557 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573464832 945969529 /nfs/dbraw/zinc/96/95/29/945969529.db2.gz PYXPGINAUXUCPE-CABCVRRESA-N 1 1 387.444 -0.557 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573464838 945969800 /nfs/dbraw/zinc/96/98/00/945969800.db2.gz PYXPGINAUXUCPE-HUUCEWRRSA-N 1 1 387.444 -0.557 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573464838 945969789 /nfs/dbraw/zinc/96/97/89/945969789.db2.gz PYXPGINAUXUCPE-HUUCEWRRSA-N 1 1 387.444 -0.557 20 0 GBADMO CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573464939 945972081 /nfs/dbraw/zinc/97/20/81/945972081.db2.gz RXRHCVHTGHPNAW-GFCCVEGCSA-N 1 1 388.432 -0.502 20 0 GBADMO CC(=O)NC(C)(C)C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573464942 945972636 /nfs/dbraw/zinc/97/26/36/945972636.db2.gz RXRHCVHTGHPNAW-LBPRGKRZSA-N 1 1 388.432 -0.502 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001573465218 945970949 /nfs/dbraw/zinc/97/09/49/945970949.db2.gz VUALLJWYYJOOBC-CABCVRRESA-N 1 1 387.444 -0.557 20 0 GBADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001573465218 945970943 /nfs/dbraw/zinc/97/09/43/945970943.db2.gz VUALLJWYYJOOBC-CABCVRRESA-N 1 1 387.444 -0.557 20 0 GBADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467549 945981584 /nfs/dbraw/zinc/98/15/84/945981584.db2.gz DZFLPUDFXNVVMU-BLLLJJGKSA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467550 945982522 /nfs/dbraw/zinc/98/25/22/945982522.db2.gz DZFLPUDFXNVVMU-LRDDRELGSA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467551 945982506 /nfs/dbraw/zinc/98/25/06/945982506.db2.gz DZFLPUDFXNVVMU-MLGOLLRUSA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467552 945982500 /nfs/dbraw/zinc/98/25/00/945982500.db2.gz DZFLPUDFXNVVMU-WBMJQRKESA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467964 945988544 /nfs/dbraw/zinc/98/85/44/945988544.db2.gz JYWGLUYAXSFUDU-DOMZBBRYSA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467965 945988253 /nfs/dbraw/zinc/98/82/53/945988253.db2.gz JYWGLUYAXSFUDU-IUODEOHRSA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467967 945988189 /nfs/dbraw/zinc/98/81/89/945988189.db2.gz JYWGLUYAXSFUDU-SWLSCSKDSA-N 1 1 389.460 -0.358 20 0 GBADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467968 945988759 /nfs/dbraw/zinc/98/87/59/945988759.db2.gz JYWGLUYAXSFUDU-WFASDCNBSA-N 1 1 389.460 -0.358 20 0 GBADMO 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C[C@@H](C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573681564 948208390 /nfs/dbraw/zinc/20/83/90/948208390.db2.gz WJZQDNJEKHNRCM-UONOGXRCSA-N 1 1 388.476 -0.163 20 0 GBADMO C[C@H](C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573681565 948207528 /nfs/dbraw/zinc/20/75/28/948207528.db2.gz WJZQDNJEKHNRCM-ZIAGYGMSSA-N 1 1 388.476 -0.163 20 0 GBADMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573681758 948211977 /nfs/dbraw/zinc/21/19/77/948211977.db2.gz XOPZVYCECFIQLW-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573681758 948211965 /nfs/dbraw/zinc/21/19/65/948211965.db2.gz XOPZVYCECFIQLW-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573681759 948212926 /nfs/dbraw/zinc/21/29/26/948212926.db2.gz XOPZVYCECFIQLW-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO 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C[C@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573692170 948255924 /nfs/dbraw/zinc/25/59/24/948255924.db2.gz MUISAPDTEZYZEA-CHWSQXEVSA-N 1 1 389.464 -0.768 20 0 GBADMO C[C@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573692172 948256593 /nfs/dbraw/zinc/25/65/93/948256593.db2.gz MUISAPDTEZYZEA-OLZOCXBDSA-N 1 1 389.464 -0.768 20 0 GBADMO C[C@@H](C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573692174 948256792 /nfs/dbraw/zinc/25/67/92/948256792.db2.gz MUISAPDTEZYZEA-QWHCGFSZSA-N 1 1 389.464 -0.768 20 0 GBADMO C[C@@H](C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573692176 948255530 /nfs/dbraw/zinc/25/55/30/948255530.db2.gz MUISAPDTEZYZEA-STQMWFEESA-N 1 1 389.464 -0.768 20 0 GBADMO C[C@@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573692866 948273511 /nfs/dbraw/zinc/27/35/11/948273511.db2.gz QQZWZDBOEDAAEA-KBPBESRZSA-N 1 1 388.476 -0.163 20 0 GBADMO C[C@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573692868 948274395 /nfs/dbraw/zinc/27/43/95/948274395.db2.gz QQZWZDBOEDAAEA-KGLIPLIRSA-N 1 1 388.476 -0.163 20 0 GBADMO C[C@@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573692870 948274224 /nfs/dbraw/zinc/27/42/24/948274224.db2.gz QQZWZDBOEDAAEA-UONOGXRCSA-N 1 1 388.476 -0.163 20 0 GBADMO C[C@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573692872 948274071 /nfs/dbraw/zinc/27/40/71/948274071.db2.gz QQZWZDBOEDAAEA-ZIAGYGMSSA-N 1 1 388.476 -0.163 20 0 GBADMO C[C@H](C(=O)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573696144 948318937 /nfs/dbraw/zinc/31/89/37/948318937.db2.gz LOINHPCXNXDFME-BDJLRTHQSA-N 1 1 384.404 -0.828 20 0 GBADMO C[C@H](C(=O)NC[C@@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573696145 948317602 /nfs/dbraw/zinc/31/76/02/948317602.db2.gz LOINHPCXNXDFME-BZNIZROVSA-N 1 1 384.404 -0.828 20 0 GBADMO C[C@@H](C(=O)NC[C@]1(O)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cncn1 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CC(C)(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573893429 950882738 /nfs/dbraw/zinc/88/27/38/950882738.db2.gz FQWALFYBBQHHQX-SNVBAGLBSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573893455 950885499 /nfs/dbraw/zinc/88/54/99/950885499.db2.gz GSWFLCVJGMESQF-JTQLQIEISA-N 1 1 385.436 -0.059 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573893456 950885931 /nfs/dbraw/zinc/88/59/31/950885931.db2.gz GSWFLCVJGMESQF-SNVBAGLBSA-N 1 1 385.436 -0.059 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573893499 950891449 /nfs/dbraw/zinc/89/14/49/950891449.db2.gz IWGYYANQBKQCPF-AOOOYVTPSA-N 1 1 385.436 -0.013 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573893500 950891431 /nfs/dbraw/zinc/89/14/31/950891431.db2.gz IWGYYANQBKQCPF-MGCOHNPYSA-N 1 1 385.436 -0.013 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573893638 950892617 /nfs/dbraw/zinc/89/26/17/950892617.db2.gz OOXCZWXXAVFNES-LLVKDONJSA-N 1 1 385.436 -0.059 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573893639 950894572 /nfs/dbraw/zinc/89/45/72/950894572.db2.gz OOXCZWXXAVFNES-NSHDSACASA-N 1 1 385.436 -0.059 20 0 GBADMO CC(C)(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573893764 950902142 /nfs/dbraw/zinc/90/21/42/950902142.db2.gz VJUUPYUZKGOKNW-LLVKDONJSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573893765 950904595 /nfs/dbraw/zinc/90/45/95/950904595.db2.gz VJUUPYUZKGOKNW-NSHDSACASA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573893837 950910423 /nfs/dbraw/zinc/91/04/23/950910423.db2.gz YYPKOQZTEAIZQM-LLVKDONJSA-N 1 1 385.436 -0.059 20 0 GBADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573893838 950908204 /nfs/dbraw/zinc/90/82/04/950908204.db2.gz YYPKOQZTEAIZQM-NSHDSACASA-N 1 1 385.436 -0.059 20 0 GBADMO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001573894384 950926733 /nfs/dbraw/zinc/92/67/33/950926733.db2.gz RIKCEIHDPPPUFR-GFCCVEGCSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001573894387 950926440 /nfs/dbraw/zinc/92/64/40/950926440.db2.gz RIKCEIHDPPPUFR-LBPRGKRZSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001573894446 950928982 /nfs/dbraw/zinc/92/89/82/950928982.db2.gz RVYDCHPDJMYZGK-GFCCVEGCSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001573894447 950926075 /nfs/dbraw/zinc/92/60/75/950926075.db2.gz RVYDCHPDJMYZGK-LBPRGKRZSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001573894682 950934071 /nfs/dbraw/zinc/93/40/71/950934071.db2.gz XRHGHSCIEAPSTQ-LLVKDONJSA-N 1 1 388.436 -0.578 20 0 GBADMO CC(C)(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001573894683 950932346 /nfs/dbraw/zinc/93/23/46/950932346.db2.gz XRHGHSCIEAPSTQ-NSHDSACASA-N 1 1 388.436 -0.578 20 0 GBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)CC1 ZINC001574031288 962019485 /nfs/dbraw/zinc/01/94/85/962019485.db2.gz UMKVQZLXJCFFDQ-UHFFFAOYSA-N 1 1 395.504 -0.269 20 0 GBADMO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[nH]1 ZINC001574425748 948884650 /nfs/dbraw/zinc/88/46/50/948884650.db2.gz MQLMRLBXMPXGSE-LLVKDONJSA-N 1 1 388.436 -0.341 20 0 GBADMO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[nH]1 ZINC001574425749 948882943 /nfs/dbraw/zinc/88/29/43/948882943.db2.gz MQLMRLBXMPXGSE-NSHDSACASA-N 1 1 388.436 -0.341 20 0 GBADMO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[nH]1 ZINC001574426642 948891123 /nfs/dbraw/zinc/89/11/23/948891123.db2.gz UQUGMTDCDMCSCU-JTQLQIEISA-N 1 1 388.436 -0.341 20 0 GBADMO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[nH]1 ZINC001574426643 948892218 /nfs/dbraw/zinc/89/22/18/948892218.db2.gz UQUGMTDCDMCSCU-SNVBAGLBSA-N 1 1 388.436 -0.341 20 0 GBADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574435006 948987666 /nfs/dbraw/zinc/98/76/66/948987666.db2.gz OSTKQFFLQQSABT-LLVKDONJSA-N 1 1 383.420 -0.233 20 0 GBADMO CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574435007 948989124 /nfs/dbraw/zinc/98/91/24/948989124.db2.gz OSTKQFFLQQSABT-NSHDSACASA-N 1 1 383.420 -0.233 20 0 GBADMO CC(C)c1nnnn1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574435362 948995595 /nfs/dbraw/zinc/99/55/95/948995595.db2.gz UHGWDJGNIUVUIG-UHFFFAOYSA-N 1 1 383.420 -0.280 20 0 GBADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574454936 949294583 /nfs/dbraw/zinc/29/45/83/949294583.db2.gz IFUCHHFJPSGUPH-CYBMUJFWSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574454937 949297519 /nfs/dbraw/zinc/29/75/19/949297519.db2.gz IFUCHHFJPSGUPH-ZDUSSCGKSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574454964 949295888 /nfs/dbraw/zinc/29/58/88/949295888.db2.gz JHPDSSSPNKSBNC-GFCCVEGCSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574454965 949295486 /nfs/dbraw/zinc/29/54/86/949295486.db2.gz JHPDSSSPNKSBNC-LBPRGKRZSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001574455253 949300041 /nfs/dbraw/zinc/30/00/41/949300041.db2.gz NFMKPIZPHOXYTG-CYBMUJFWSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001574455258 949299716 /nfs/dbraw/zinc/29/97/16/949299716.db2.gz NFMKPIZPHOXYTG-ZDUSSCGKSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574470368 949499557 /nfs/dbraw/zinc/49/95/57/949499557.db2.gz BRHJHQLKLRMCAJ-GFCCVEGCSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574470369 949500263 /nfs/dbraw/zinc/50/02/63/949500263.db2.gz BRHJHQLKLRMCAJ-LBPRGKRZSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574473127 949560852 /nfs/dbraw/zinc/56/08/52/949560852.db2.gz YGMSCVMGMPEBNE-LLVKDONJSA-N 1 1 388.436 -0.410 20 0 GBADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574473130 949562642 /nfs/dbraw/zinc/56/26/42/949562642.db2.gz YGMSCVMGMPEBNE-NSHDSACASA-N 1 1 388.436 -0.410 20 0 GBADMO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574477511 949661444 /nfs/dbraw/zinc/66/14/44/949661444.db2.gz OOKBGYGWXOTCFG-SDDRHHMPSA-N 1 1 385.432 -0.112 20 0 GBADMO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574477513 949661418 /nfs/dbraw/zinc/66/14/18/949661418.db2.gz OOKBGYGWXOTCFG-UTUOFQBUSA-N 1 1 385.432 -0.112 20 0 GBADMO C[C@@H](CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)NC(N)=O ZINC001574484095 949858244 /nfs/dbraw/zinc/85/82/44/949858244.db2.gz USCIUMWUBHQPDP-COPLHBTASA-N 1 1 385.432 -0.254 20 0 GBADMO C[C@H](CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)NC(N)=O ZINC001574484096 949859983 /nfs/dbraw/zinc/85/99/83/949859983.db2.gz USCIUMWUBHQPDP-UHIISALHSA-N 1 1 385.432 -0.254 20 0 GBADMO C[C@H](CC(=O)NC[C@@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574502635 950386129 /nfs/dbraw/zinc/38/61/29/950386129.db2.gz OXEGZBCKAXVQBQ-GHMZBOCLSA-N 1 1 389.420 -0.970 20 0 GBADMO C[C@H](CC(=O)NC[C@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574502636 950383268 /nfs/dbraw/zinc/38/32/68/950383268.db2.gz OXEGZBCKAXVQBQ-MNOVXSKESA-N 1 1 389.420 -0.970 20 0 GBADMO C[C@@H](CC(=O)NC[C@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574502637 950385432 /nfs/dbraw/zinc/38/54/32/950385432.db2.gz OXEGZBCKAXVQBQ-QWRGUYRKSA-N 1 1 389.420 -0.970 20 0 GBADMO C[C@@H](CC(=O)NC[C@@H]1COCCN1c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574502638 950383218 /nfs/dbraw/zinc/38/32/18/950383218.db2.gz OXEGZBCKAXVQBQ-WDEREUQCSA-N 1 1 389.420 -0.970 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574511938 950581080 /nfs/dbraw/zinc/58/10/80/950581080.db2.gz XAVIIVBGPFOMMH-FTUHBYGFSA-N 1 1 385.432 -0.066 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574511939 950582766 /nfs/dbraw/zinc/58/27/66/950582766.db2.gz XAVIIVBGPFOMMH-SVBLFDIKSA-N 1 1 385.432 -0.066 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O)n1cccn1 ZINC001574511948 950580082 /nfs/dbraw/zinc/58/00/82/950580082.db2.gz XLIIPESHDTYXPX-KYOSRNDESA-N 1 1 383.416 -0.225 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O)n1cccn1 ZINC001574511949 950581998 /nfs/dbraw/zinc/58/19/98/950581998.db2.gz XLIIPESHDTYXPX-LNSITVRQSA-N 1 1 383.416 -0.225 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)n1cccn1 ZINC001574511950 950582346 /nfs/dbraw/zinc/58/23/46/950582346.db2.gz XLIIPESHDTYXPX-NJZAAPMLSA-N 1 1 383.416 -0.225 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)n1cccn1 ZINC001574511951 950583237 /nfs/dbraw/zinc/58/32/37/950583237.db2.gz XLIIPESHDTYXPX-UXIGCNINSA-N 1 1 383.416 -0.225 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)NC(N)=O ZINC001574515262 950628751 /nfs/dbraw/zinc/62/87/51/950628751.db2.gz CGDHBZFODOMYPA-GJTWSCIVSA-N 1 1 390.473 -0.079 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)NC(N)=O ZINC001574515264 950629811 /nfs/dbraw/zinc/62/98/11/950629811.db2.gz CGDHBZFODOMYPA-HJUHTLPRSA-N 1 1 390.473 -0.079 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)NC(N)=O ZINC001574517019 950641574 /nfs/dbraw/zinc/64/15/74/950641574.db2.gz KTRQHQOJPYSKDW-ADDUCUOXSA-N 1 1 384.444 -0.140 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)NC(N)=O ZINC001574517020 950640861 /nfs/dbraw/zinc/64/08/61/950640861.db2.gz KTRQHQOJPYSKDW-YZOIGVHSSA-N 1 1 384.444 -0.140 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)NC(N)=O ZINC001574518719 950661610 /nfs/dbraw/zinc/66/16/10/950661610.db2.gz QCYKSFVPIFDSEE-ADDUCUOXSA-N 1 1 384.444 -0.140 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)NC(N)=O ZINC001574518720 950661087 /nfs/dbraw/zinc/66/10/87/950661087.db2.gz QCYKSFVPIFDSEE-YZOIGVHSSA-N 1 1 384.444 -0.140 20 0 GBADMO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574519619 950688703 /nfs/dbraw/zinc/68/87/03/950688703.db2.gz XAVIIVBGPFOMMH-KLTVKPSUSA-N 1 1 385.432 -0.066 20 0 GBADMO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574519620 950691474 /nfs/dbraw/zinc/69/14/74/950691474.db2.gz XAVIIVBGPFOMMH-QPPBUOOMSA-N 1 1 385.432 -0.066 20 0 GBADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)NC(N)=O ZINC001574519700 950694470 /nfs/dbraw/zinc/69/44/70/950694470.db2.gz XQYWAIFXKVPPEH-ADDUCUOXSA-N 1 1 384.444 -0.140 20 0 GBADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)NC(N)=O ZINC001574519702 950694219 /nfs/dbraw/zinc/69/42/19/950694219.db2.gz XQYWAIFXKVPPEH-YZOIGVHSSA-N 1 1 384.444 -0.140 20 0 GBADMO C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574720474 949791330 /nfs/dbraw/zinc/79/13/30/949791330.db2.gz AGFXSVHNIJBRDA-GFCCVEGCSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574720475 949789509 /nfs/dbraw/zinc/78/95/09/949789509.db2.gz AGFXSVHNIJBRDA-LBPRGKRZSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574722503 949836773 /nfs/dbraw/zinc/83/67/73/949836773.db2.gz SWLJCFWQUUQCTK-GFCCVEGCSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574722504 949834953 /nfs/dbraw/zinc/83/49/53/949834953.db2.gz SWLJCFWQUUQCTK-LBPRGKRZSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1nnc2n1CCOC2 ZINC001574738584 950173841 /nfs/dbraw/zinc/17/38/41/950173841.db2.gz GVYPEIUCMBYMJS-JTQLQIEISA-N 1 1 386.420 -0.433 20 0 GBADMO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1nnc2n1CCOC2 ZINC001574738587 950176191 /nfs/dbraw/zinc/17/61/91/950176191.db2.gz GVYPEIUCMBYMJS-SNVBAGLBSA-N 1 1 386.420 -0.433 20 0 GBADMO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CC[NH+]1CCOCC1 ZINC001574740252 950225865 /nfs/dbraw/zinc/22/58/65/950225865.db2.gz CVCFJYZRVHYOQW-GFCCVEGCSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CC[NH+]1CCOCC1 ZINC001574740253 950223945 /nfs/dbraw/zinc/22/39/45/950223945.db2.gz CVCFJYZRVHYOQW-LBPRGKRZSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)CC[NH+]1CCOCC1 ZINC001574741436 950244615 /nfs/dbraw/zinc/24/46/15/950244615.db2.gz BFLDWEVIGMQMLY-GFCCVEGCSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)CC[NH+]1CCOCC1 ZINC001574741437 950246542 /nfs/dbraw/zinc/24/65/42/950246542.db2.gz BFLDWEVIGMQMLY-LBPRGKRZSA-N 1 1 390.448 -0.506 20 0 GBADMO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1nnc2n1CCOC2 ZINC001574745399 950383072 /nfs/dbraw/zinc/38/30/72/950383072.db2.gz JEYPAKZNKAOYTO-JTQLQIEISA-N 1 1 386.420 -0.433 20 0 GBADMO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1nnc2n1CCOC2 ZINC001574745401 950380137 /nfs/dbraw/zinc/38/01/37/950380137.db2.gz JEYPAKZNKAOYTO-SNVBAGLBSA-N 1 1 386.420 -0.433 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765341 950786439 /nfs/dbraw/zinc/78/64/39/950786439.db2.gz CGEHDIBTRQBKQG-NEPJUHHUSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765341 950786424 /nfs/dbraw/zinc/78/64/24/950786424.db2.gz CGEHDIBTRQBKQG-NEPJUHHUSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765345 950785184 /nfs/dbraw/zinc/78/51/84/950785184.db2.gz CGEHDIBTRQBKQG-NWDGAFQWSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765345 950785169 /nfs/dbraw/zinc/78/51/69/950785169.db2.gz CGEHDIBTRQBKQG-NWDGAFQWSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765347 950788430 /nfs/dbraw/zinc/78/84/30/950788430.db2.gz CGEHDIBTRQBKQG-RYUDHWBXSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765347 950788417 /nfs/dbraw/zinc/78/84/17/950788417.db2.gz CGEHDIBTRQBKQG-RYUDHWBXSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765350 950785047 /nfs/dbraw/zinc/78/50/47/950785047.db2.gz CGEHDIBTRQBKQG-VXGBXAGGSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765350 950785032 /nfs/dbraw/zinc/78/50/32/950785032.db2.gz CGEHDIBTRQBKQG-VXGBXAGGSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765359 950787128 /nfs/dbraw/zinc/78/71/28/950787128.db2.gz CGPHNPZZJREZJC-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765359 950787117 /nfs/dbraw/zinc/78/71/17/950787117.db2.gz CGPHNPZZJREZJC-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765361 950788032 /nfs/dbraw/zinc/78/80/32/950788032.db2.gz CGPHNPZZJREZJC-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765361 950788015 /nfs/dbraw/zinc/78/80/15/950788015.db2.gz CGPHNPZZJREZJC-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765473 950787045 /nfs/dbraw/zinc/78/70/45/950787045.db2.gz CUQBBZIPRJEYTG-LLVKDONJSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765473 950787028 /nfs/dbraw/zinc/78/70/28/950787028.db2.gz CUQBBZIPRJEYTG-LLVKDONJSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765475 950785558 /nfs/dbraw/zinc/78/55/58/950785558.db2.gz CUQBBZIPRJEYTG-NSHDSACASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765475 950785541 /nfs/dbraw/zinc/78/55/41/950785541.db2.gz CUQBBZIPRJEYTG-NSHDSACASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765498 950792445 /nfs/dbraw/zinc/79/24/45/950792445.db2.gz DCFOMKFZHSHKQT-AAEUAGOBSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765498 950792430 /nfs/dbraw/zinc/79/24/30/950792430.db2.gz DCFOMKFZHSHKQT-AAEUAGOBSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765500 950791013 /nfs/dbraw/zinc/79/10/13/950791013.db2.gz DCFOMKFZHSHKQT-DGCLKSJQSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765500 950791002 /nfs/dbraw/zinc/79/10/02/950791002.db2.gz DCFOMKFZHSHKQT-DGCLKSJQSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765501 950793738 /nfs/dbraw/zinc/79/37/38/950793738.db2.gz DCFOMKFZHSHKQT-WCQYABFASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765501 950793729 /nfs/dbraw/zinc/79/37/29/950793729.db2.gz DCFOMKFZHSHKQT-WCQYABFASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765502 950793940 /nfs/dbraw/zinc/79/39/40/950793940.db2.gz DCFOMKFZHSHKQT-YPMHNXCESA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765502 950793918 /nfs/dbraw/zinc/79/39/18/950793918.db2.gz DCFOMKFZHSHKQT-YPMHNXCESA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765503 950791978 /nfs/dbraw/zinc/79/19/78/950791978.db2.gz DCJGXGDWOAMYPH-AAEUAGOBSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765503 950791964 /nfs/dbraw/zinc/79/19/64/950791964.db2.gz DCJGXGDWOAMYPH-AAEUAGOBSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765504 950792952 /nfs/dbraw/zinc/79/29/52/950792952.db2.gz DCJGXGDWOAMYPH-DGCLKSJQSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765504 950792935 /nfs/dbraw/zinc/79/29/35/950792935.db2.gz DCJGXGDWOAMYPH-DGCLKSJQSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765505 950792691 /nfs/dbraw/zinc/79/26/91/950792691.db2.gz DCJGXGDWOAMYPH-WCQYABFASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765505 950792680 /nfs/dbraw/zinc/79/26/80/950792680.db2.gz DCJGXGDWOAMYPH-WCQYABFASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765506 950793226 /nfs/dbraw/zinc/79/32/26/950793226.db2.gz DCJGXGDWOAMYPH-YPMHNXCESA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765506 950793209 /nfs/dbraw/zinc/79/32/09/950793209.db2.gz DCJGXGDWOAMYPH-YPMHNXCESA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574765508 950790936 /nfs/dbraw/zinc/79/09/36/950790936.db2.gz DCVXRAQIZUYGTD-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574765508 950790922 /nfs/dbraw/zinc/79/09/22/950790922.db2.gz DCVXRAQIZUYGTD-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574765510 950791721 /nfs/dbraw/zinc/79/17/21/950791721.db2.gz DCVXRAQIZUYGTD-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574765510 950791714 /nfs/dbraw/zinc/79/17/14/950791714.db2.gz DCVXRAQIZUYGTD-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574765512 950792190 /nfs/dbraw/zinc/79/21/90/950792190.db2.gz DCVXRAQIZUYGTD-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574765512 950792171 /nfs/dbraw/zinc/79/21/71/950792171.db2.gz DCVXRAQIZUYGTD-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)C[C@H](C)CS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765513 950790843 /nfs/dbraw/zinc/79/08/43/950790843.db2.gz DCVXRAQIZUYGTD-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@H](C)CS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765513 950790833 /nfs/dbraw/zinc/79/08/33/950790833.db2.gz DCVXRAQIZUYGTD-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765546 950793413 /nfs/dbraw/zinc/79/34/13/950793413.db2.gz DUGYVHMBDRVXGQ-SECBINFHSA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765546 950793402 /nfs/dbraw/zinc/79/34/02/950793402.db2.gz DUGYVHMBDRVXGQ-SECBINFHSA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765547 950794075 /nfs/dbraw/zinc/79/40/75/950794075.db2.gz DUGYVHMBDRVXGQ-VIFPVBQESA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765547 950794061 /nfs/dbraw/zinc/79/40/61/950794061.db2.gz DUGYVHMBDRVXGQ-VIFPVBQESA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765917 950803866 /nfs/dbraw/zinc/80/38/66/950803866.db2.gz GEBPGUNUODNSBB-LLVKDONJSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765917 950803847 /nfs/dbraw/zinc/80/38/47/950803847.db2.gz GEBPGUNUODNSBB-LLVKDONJSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765918 950801672 /nfs/dbraw/zinc/80/16/72/950801672.db2.gz GEBPGUNUODNSBB-NSHDSACASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765918 950801653 /nfs/dbraw/zinc/80/16/53/950801653.db2.gz GEBPGUNUODNSBB-NSHDSACASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765924 950802667 /nfs/dbraw/zinc/80/26/67/950802667.db2.gz GGOVAKFMADDGPA-LLVKDONJSA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765924 950802644 /nfs/dbraw/zinc/80/26/44/950802644.db2.gz GGOVAKFMADDGPA-LLVKDONJSA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765925 950804035 /nfs/dbraw/zinc/80/40/35/950804035.db2.gz GGOVAKFMADDGPA-NSHDSACASA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765925 950804015 /nfs/dbraw/zinc/80/40/15/950804015.db2.gz GGOVAKFMADDGPA-NSHDSACASA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766753 950823324 /nfs/dbraw/zinc/82/33/24/950823324.db2.gz KRGALCWCRVNCFE-NEPJUHHUSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766753 950823300 /nfs/dbraw/zinc/82/33/00/950823300.db2.gz KRGALCWCRVNCFE-NEPJUHHUSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766759 950823527 /nfs/dbraw/zinc/82/35/27/950823527.db2.gz KRGALCWCRVNCFE-NWDGAFQWSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766759 950823509 /nfs/dbraw/zinc/82/35/09/950823509.db2.gz KRGALCWCRVNCFE-NWDGAFQWSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766765 950823874 /nfs/dbraw/zinc/82/38/74/950823874.db2.gz KRGALCWCRVNCFE-RYUDHWBXSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766765 950823853 /nfs/dbraw/zinc/82/38/53/950823853.db2.gz KRGALCWCRVNCFE-RYUDHWBXSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766769 950825937 /nfs/dbraw/zinc/82/59/37/950825937.db2.gz KRGALCWCRVNCFE-VXGBXAGGSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766769 950825922 /nfs/dbraw/zinc/82/59/22/950825922.db2.gz KRGALCWCRVNCFE-VXGBXAGGSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766772 950825467 /nfs/dbraw/zinc/82/54/67/950825467.db2.gz KSVLMXNKIWCRDA-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766772 950825442 /nfs/dbraw/zinc/82/54/42/950825442.db2.gz KSVLMXNKIWCRDA-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766773 950825721 /nfs/dbraw/zinc/82/57/21/950825721.db2.gz KSVLMXNKIWCRDA-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574766773 950825704 /nfs/dbraw/zinc/82/57/04/950825704.db2.gz KSVLMXNKIWCRDA-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574766801 950827584 /nfs/dbraw/zinc/82/75/84/950827584.db2.gz KZZLHILDVBQUQW-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574766801 950827557 /nfs/dbraw/zinc/82/75/57/950827557.db2.gz KZZLHILDVBQUQW-MRVPVSSYSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574766803 950823123 /nfs/dbraw/zinc/82/31/23/950823123.db2.gz KZZLHILDVBQUQW-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NCC(F)(F)F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574766803 950823108 /nfs/dbraw/zinc/82/31/08/950823108.db2.gz KZZLHILDVBQUQW-QMMMGPOBSA-N 1 1 388.354 -0.077 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767186 950843102 /nfs/dbraw/zinc/84/31/02/950843102.db2.gz MWPGUAMSXJNWSQ-SECBINFHSA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767186 950843077 /nfs/dbraw/zinc/84/30/77/950843077.db2.gz MWPGUAMSXJNWSQ-SECBINFHSA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767187 950842047 /nfs/dbraw/zinc/84/20/47/950842047.db2.gz MWPGUAMSXJNWSQ-VIFPVBQESA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767187 950842028 /nfs/dbraw/zinc/84/20/28/950842028.db2.gz MWPGUAMSXJNWSQ-VIFPVBQESA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767388 950846536 /nfs/dbraw/zinc/84/65/36/950846536.db2.gz NIMFZZHPHMNFHM-LLVKDONJSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767388 950846524 /nfs/dbraw/zinc/84/65/24/950846524.db2.gz NIMFZZHPHMNFHM-LLVKDONJSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767389 950848847 /nfs/dbraw/zinc/84/88/47/950848847.db2.gz NIMFZZHPHMNFHM-NSHDSACASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767389 950848832 /nfs/dbraw/zinc/84/88/32/950848832.db2.gz NIMFZZHPHMNFHM-NSHDSACASA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574767405 950854737 /nfs/dbraw/zinc/85/47/37/950854737.db2.gz NTJVVEPYSFFCCM-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574767405 950854717 /nfs/dbraw/zinc/85/47/17/950854717.db2.gz NTJVVEPYSFFCCM-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574767406 950854410 /nfs/dbraw/zinc/85/44/10/950854410.db2.gz NTJVVEPYSFFCCM-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574767406 950854394 /nfs/dbraw/zinc/85/43/94/950854394.db2.gz NTJVVEPYSFFCCM-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574767408 950855880 /nfs/dbraw/zinc/85/58/80/950855880.db2.gz NTJVVEPYSFFCCM-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574767408 950855855 /nfs/dbraw/zinc/85/58/55/950855855.db2.gz NTJVVEPYSFFCCM-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001574767409 950855078 /nfs/dbraw/zinc/85/50/78/950855078.db2.gz NTJVVEPYSFFCCM-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001574767409 950855062 /nfs/dbraw/zinc/85/50/62/950855062.db2.gz NTJVVEPYSFFCCM-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767475 950854630 /nfs/dbraw/zinc/85/46/30/950854630.db2.gz OWNNXTUGUOSZKZ-NEPJUHHUSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767475 950854607 /nfs/dbraw/zinc/85/46/07/950854607.db2.gz OWNNXTUGUOSZKZ-NEPJUHHUSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767477 950856267 /nfs/dbraw/zinc/85/62/67/950856267.db2.gz OWNNXTUGUOSZKZ-NWDGAFQWSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767477 950856252 /nfs/dbraw/zinc/85/62/52/950856252.db2.gz OWNNXTUGUOSZKZ-NWDGAFQWSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767478 950856003 /nfs/dbraw/zinc/85/60/03/950856003.db2.gz OWNNXTUGUOSZKZ-RYUDHWBXSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767478 950855979 /nfs/dbraw/zinc/85/59/79/950855979.db2.gz OWNNXTUGUOSZKZ-RYUDHWBXSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767479 950852511 /nfs/dbraw/zinc/85/25/11/950852511.db2.gz OWNNXTUGUOSZKZ-VXGBXAGGSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767479 950852485 /nfs/dbraw/zinc/85/24/85/950852485.db2.gz OWNNXTUGUOSZKZ-VXGBXAGGSA-N 1 1 390.448 -0.508 20 0 GBADMO C[C@H](C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574767994 950880964 /nfs/dbraw/zinc/88/09/64/950880964.db2.gz SLLRPJNQTNGIDJ-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574767994 950880947 /nfs/dbraw/zinc/88/09/47/950880947.db2.gz SLLRPJNQTNGIDJ-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574767995 950881608 /nfs/dbraw/zinc/88/16/08/950881608.db2.gz SLLRPJNQTNGIDJ-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574767995 950881596 /nfs/dbraw/zinc/88/15/96/950881596.db2.gz SLLRPJNQTNGIDJ-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574767996 950877681 /nfs/dbraw/zinc/87/76/81/950877681.db2.gz SLLRPJNQTNGIDJ-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001574767996 950877652 /nfs/dbraw/zinc/87/76/52/950877652.db2.gz SLLRPJNQTNGIDJ-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001574767997 950881671 /nfs/dbraw/zinc/88/16/71/950881671.db2.gz SLLRPJNQTNGIDJ-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001574767997 950881659 /nfs/dbraw/zinc/88/16/59/950881659.db2.gz SLLRPJNQTNGIDJ-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768012 950878410 /nfs/dbraw/zinc/87/84/10/950878410.db2.gz SNTITKNWUSWSJC-NEPJUHHUSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768012 950878391 /nfs/dbraw/zinc/87/83/91/950878391.db2.gz SNTITKNWUSWSJC-NEPJUHHUSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768013 950879731 /nfs/dbraw/zinc/87/97/31/950879731.db2.gz SNTITKNWUSWSJC-NWDGAFQWSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768013 950879713 /nfs/dbraw/zinc/87/97/13/950879713.db2.gz SNTITKNWUSWSJC-NWDGAFQWSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768014 950881539 /nfs/dbraw/zinc/88/15/39/950881539.db2.gz SNTITKNWUSWSJC-RYUDHWBXSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768014 950881524 /nfs/dbraw/zinc/88/15/24/950881524.db2.gz SNTITKNWUSWSJC-RYUDHWBXSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768015 950880180 /nfs/dbraw/zinc/88/01/80/950880180.db2.gz SNTITKNWUSWSJC-VXGBXAGGSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768015 950880162 /nfs/dbraw/zinc/88/01/62/950880162.db2.gz SNTITKNWUSWSJC-VXGBXAGGSA-N 1 1 390.448 -0.460 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574768283 950885916 /nfs/dbraw/zinc/88/59/16/950885916.db2.gz SVEJNDZNPSHCSP-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)C[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574768283 950885904 /nfs/dbraw/zinc/88/59/04/950885904.db2.gz SVEJNDZNPSHCSP-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574768284 950886935 /nfs/dbraw/zinc/88/69/35/950886935.db2.gz SVEJNDZNPSHCSP-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574768284 950886923 /nfs/dbraw/zinc/88/69/23/950886923.db2.gz SVEJNDZNPSHCSP-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574768285 950882677 /nfs/dbraw/zinc/88/26/77/950882677.db2.gz SVEJNDZNPSHCSP-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@H+](C)C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001574768285 950882666 /nfs/dbraw/zinc/88/26/66/950882666.db2.gz SVEJNDZNPSHCSP-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)C[C@H](C)CS(C)(=O)=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574768286 950887269 /nfs/dbraw/zinc/88/72/69/950887269.db2.gz SVEJNDZNPSHCSP-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@H](C)CS(C)(=O)=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574768286 950887251 /nfs/dbraw/zinc/88/72/51/950887251.db2.gz SVEJNDZNPSHCSP-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768299 950884582 /nfs/dbraw/zinc/88/45/82/950884582.db2.gz UARBBMHNZRXMGI-SECBINFHSA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768299 950884560 /nfs/dbraw/zinc/88/45/60/950884560.db2.gz UARBBMHNZRXMGI-SECBINFHSA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768300 950886801 /nfs/dbraw/zinc/88/68/01/950886801.db2.gz UARBBMHNZRXMGI-VIFPVBQESA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC(=O)NC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768300 950886784 /nfs/dbraw/zinc/88/67/84/950886784.db2.gz UARBBMHNZRXMGI-VIFPVBQESA-N 1 1 389.420 -0.767 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768675 950893467 /nfs/dbraw/zinc/89/34/67/950893467.db2.gz VCWIDWJGJHXKMG-NEPJUHHUSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768675 950893451 /nfs/dbraw/zinc/89/34/51/950893451.db2.gz VCWIDWJGJHXKMG-NEPJUHHUSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768676 950894510 /nfs/dbraw/zinc/89/45/10/950894510.db2.gz VCWIDWJGJHXKMG-NWDGAFQWSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768676 950894491 /nfs/dbraw/zinc/89/44/91/950894491.db2.gz VCWIDWJGJHXKMG-NWDGAFQWSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768677 950893277 /nfs/dbraw/zinc/89/32/77/950893277.db2.gz VCWIDWJGJHXKMG-RYUDHWBXSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768677 950893260 /nfs/dbraw/zinc/89/32/60/950893260.db2.gz VCWIDWJGJHXKMG-RYUDHWBXSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768678 950894908 /nfs/dbraw/zinc/89/49/08/950894908.db2.gz VCWIDWJGJHXKMG-VXGBXAGGSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768678 950894890 /nfs/dbraw/zinc/89/48/90/950894890.db2.gz VCWIDWJGJHXKMG-VXGBXAGGSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768741 950901595 /nfs/dbraw/zinc/90/15/95/950901595.db2.gz WLGIRQINBXHQIJ-LLVKDONJSA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768741 950901576 /nfs/dbraw/zinc/90/15/76/950901576.db2.gz WLGIRQINBXHQIJ-LLVKDONJSA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768742 950900291 /nfs/dbraw/zinc/90/02/91/950900291.db2.gz WLGIRQINBXHQIJ-NSHDSACASA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768742 950900277 /nfs/dbraw/zinc/90/02/77/950900277.db2.gz WLGIRQINBXHQIJ-NSHDSACASA-N 1 1 376.421 -0.896 20 0 GBADMO C[C@H](C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001574768951 950906629 /nfs/dbraw/zinc/90/66/29/950906629.db2.gz YHQMYOVZLFFBEP-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001574768951 950906618 /nfs/dbraw/zinc/90/66/18/950906618.db2.gz YHQMYOVZLFFBEP-GHMZBOCLSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001574768952 950904585 /nfs/dbraw/zinc/90/45/85/950904585.db2.gz YHQMYOVZLFFBEP-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001574768952 950904569 /nfs/dbraw/zinc/90/45/69/950904569.db2.gz YHQMYOVZLFFBEP-MNOVXSKESA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001574768953 950906534 /nfs/dbraw/zinc/90/65/34/950906534.db2.gz YHQMYOVZLFFBEP-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001574768953 950906527 /nfs/dbraw/zinc/90/65/27/950906527.db2.gz YHQMYOVZLFFBEP-QWRGUYRKSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001574768954 950904384 /nfs/dbraw/zinc/90/43/84/950904384.db2.gz YHQMYOVZLFFBEP-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001574768954 950904369 /nfs/dbraw/zinc/90/43/69/950904369.db2.gz YHQMYOVZLFFBEP-WDEREUQCSA-N 1 1 383.478 -0.074 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769115 950912089 /nfs/dbraw/zinc/91/20/89/950912089.db2.gz ZSFUSDPUNHBEMO-NEPJUHHUSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769115 950912077 /nfs/dbraw/zinc/91/20/77/950912077.db2.gz ZSFUSDPUNHBEMO-NEPJUHHUSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769117 950911947 /nfs/dbraw/zinc/91/19/47/950911947.db2.gz ZSFUSDPUNHBEMO-NWDGAFQWSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769117 950911938 /nfs/dbraw/zinc/91/19/38/950911938.db2.gz ZSFUSDPUNHBEMO-NWDGAFQWSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769119 950910508 /nfs/dbraw/zinc/91/05/08/950910508.db2.gz ZSFUSDPUNHBEMO-RYUDHWBXSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769119 950910492 /nfs/dbraw/zinc/91/04/92/950910492.db2.gz ZSFUSDPUNHBEMO-RYUDHWBXSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769121 950909337 /nfs/dbraw/zinc/90/93/37/950909337.db2.gz ZSFUSDPUNHBEMO-VXGBXAGGSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574769121 950909319 /nfs/dbraw/zinc/90/93/19/950909319.db2.gz ZSFUSDPUNHBEMO-VXGBXAGGSA-N 1 1 390.448 -0.602 20 0 GBADMO C[C@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771297 950912652 /nfs/dbraw/zinc/91/26/52/950912652.db2.gz AEKMQTLOAJOYOS-NEPJUHHUSA-N 1 1 390.448 -0.772 20 0 GBADMO 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C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)CC[NH+]1CCOCC1 ZINC001575014702 950910243 /nfs/dbraw/zinc/91/02/43/950910243.db2.gz IAZNPCBAGHAGIS-LLVKDONJSA-N 1 1 376.421 -0.848 20 0 GBADMO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)CC[NH+]1CCOCC1 ZINC001575014705 950909413 /nfs/dbraw/zinc/90/94/13/950909413.db2.gz IAZNPCBAGHAGIS-NSHDSACASA-N 1 1 376.421 -0.848 20 0 GBADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015186 950922791 /nfs/dbraw/zinc/92/27/91/950922791.db2.gz NKUFEPUNFMALRZ-BXUZGUMPSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015186 950922778 /nfs/dbraw/zinc/92/27/78/950922778.db2.gz NKUFEPUNFMALRZ-BXUZGUMPSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015187 950926332 /nfs/dbraw/zinc/92/63/32/950926332.db2.gz NKUFEPUNFMALRZ-FZMZJTMJSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015187 950926318 /nfs/dbraw/zinc/92/63/18/950926318.db2.gz NKUFEPUNFMALRZ-FZMZJTMJSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015188 950923354 /nfs/dbraw/zinc/92/33/54/950923354.db2.gz NKUFEPUNFMALRZ-RISCZKNCSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015188 950923339 /nfs/dbraw/zinc/92/33/39/950923339.db2.gz NKUFEPUNFMALRZ-RISCZKNCSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015189 950925229 /nfs/dbraw/zinc/92/52/29/950925229.db2.gz NKUFEPUNFMALRZ-SMDDNHRTSA-N 1 1 390.448 -0.462 20 0 GBADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575015189 950925221 /nfs/dbraw/zinc/92/52/21/950925221.db2.gz NKUFEPUNFMALRZ-SMDDNHRTSA-N 1 1 390.448 -0.462 20 0 GBADMO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ncnn1CC(F)F ZINC001575017804 951011792 /nfs/dbraw/zinc/01/17/92/951011792.db2.gz NTTKPBPSXYKOOU-MRVPVSSYSA-N 1 1 380.363 -0.041 20 0 GBADMO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ncnn1CC(F)F ZINC001575017805 951011133 /nfs/dbraw/zinc/01/11/33/951011133.db2.gz NTTKPBPSXYKOOU-QMMMGPOBSA-N 1 1 380.363 -0.041 20 0 GBADMO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575036241 951289533 /nfs/dbraw/zinc/28/95/33/951289533.db2.gz PYKKLJRZRDBBQN-LLVKDONJSA-N 1 1 385.436 -0.933 20 0 GBADMO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575036244 951288154 /nfs/dbraw/zinc/28/81/54/951288154.db2.gz PYKKLJRZRDBBQN-NSHDSACASA-N 1 1 385.436 -0.933 20 0 GBADMO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575036332 951292011 /nfs/dbraw/zinc/29/20/11/951292011.db2.gz RIHGPAXKKSFNMA-GFCCVEGCSA-N 1 1 384.448 -0.328 20 0 GBADMO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575036333 951291702 /nfs/dbraw/zinc/29/17/02/951291702.db2.gz RIHGPAXKKSFNMA-LBPRGKRZSA-N 1 1 384.448 -0.328 20 0 GBADMO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575053793 951483817 /nfs/dbraw/zinc/48/38/17/951483817.db2.gz DXUILGWYQJJPTL-GFCCVEGCSA-N 1 1 384.448 -0.328 20 0 GBADMO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575053795 951485160 /nfs/dbraw/zinc/48/51/60/951485160.db2.gz DXUILGWYQJJPTL-LBPRGKRZSA-N 1 1 384.448 -0.328 20 0 GBADMO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575055676 951512686 /nfs/dbraw/zinc/51/26/86/951512686.db2.gz ZTZDYPOAFVJLHA-LLVKDONJSA-N 1 1 385.436 -0.933 20 0 GBADMO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575055677 951512391 /nfs/dbraw/zinc/51/23/91/951512391.db2.gz ZTZDYPOAFVJLHA-NSHDSACASA-N 1 1 385.436 -0.933 20 0 GBADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116179 951968342 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OZBIIKIRLMFTCT-SNVBAGLBSA-N 1 1 386.420 -0.433 20 0 GBADMO C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575133274 952102342 /nfs/dbraw/zinc/10/23/42/952102342.db2.gz DELGQEVWNOZXKA-KRWDZBQOSA-N 1 1 383.460 -0.129 20 0 GBADMO C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575133277 952102417 /nfs/dbraw/zinc/10/24/17/952102417.db2.gz DELGQEVWNOZXKA-QGZVFWFLSA-N 1 1 383.460 -0.129 20 0 GBADMO C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575141340 952143911 /nfs/dbraw/zinc/14/39/11/952143911.db2.gz GQUJNCNHFYKGST-GFCCVEGCSA-N 1 1 389.464 -0.552 20 0 GBADMO C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575141343 952143964 /nfs/dbraw/zinc/14/39/64/952143964.db2.gz GQUJNCNHFYKGST-LBPRGKRZSA-N 1 1 389.464 -0.552 20 0 GBADMO C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575185972 952436084 /nfs/dbraw/zinc/43/60/84/952436084.db2.gz XGZBGQXOYJQMPQ-LLVKDONJSA-N 1 1 379.446 -0.409 20 0 GBADMO C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575185974 952436473 /nfs/dbraw/zinc/43/64/73/952436473.db2.gz XGZBGQXOYJQMPQ-NSHDSACASA-N 1 1 379.446 -0.409 20 0 GBADMO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575186033 952436684 /nfs/dbraw/zinc/43/66/84/952436684.db2.gz YALRSXXXLWHHKN-GHMZBOCLSA-N 1 1 379.446 -0.363 20 0 GBADMO C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575186034 952436546 /nfs/dbraw/zinc/43/65/46/952436546.db2.gz YALRSXXXLWHHKN-MNOVXSKESA-N 1 1 379.446 -0.363 20 0 GBADMO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575186035 952436618 /nfs/dbraw/zinc/43/66/18/952436618.db2.gz YALRSXXXLWHHKN-QWRGUYRKSA-N 1 1 379.446 -0.363 20 0 GBADMO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575186036 952436131 /nfs/dbraw/zinc/43/61/31/952436131.db2.gz YALRSXXXLWHHKN-WDEREUQCSA-N 1 1 379.446 -0.363 20 0 GBADMO C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575186049 952436986 /nfs/dbraw/zinc/43/69/86/952436986.db2.gz YCZSQQNPYPDQOB-SRVKXCTJSA-N 1 1 391.457 -0.268 20 0 GBADMO C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575186050 952436482 /nfs/dbraw/zinc/43/64/82/952436482.db2.gz YCZSQQNPYPDQOB-WOPDTQHZSA-N 1 1 391.457 -0.268 20 0 GBADMO C[C@@](Cn1cccn1)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001575205727 952526455 /nfs/dbraw/zinc/52/64/55/952526455.db2.gz CJPYUQZONRHYTC-KRWDZBQOSA-N 1 1 383.416 -0.787 20 0 GBADMO C[C@](Cn1cccn1)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001575205729 952527141 /nfs/dbraw/zinc/52/71/41/952527141.db2.gz CJPYUQZONRHYTC-QGZVFWFLSA-N 1 1 383.416 -0.787 20 0 GBADMO C[C@@](Cn1cccn1)([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(N)=O ZINC001575207540 952533819 /nfs/dbraw/zinc/53/38/19/952533819.db2.gz QYVHJAODQSMLJZ-KRWDZBQOSA-N 1 1 383.416 -0.787 20 0 GBADMO C[C@](Cn1cccn1)([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(N)=O ZINC001575207542 952533285 /nfs/dbraw/zinc/53/32/85/952533285.db2.gz QYVHJAODQSMLJZ-QGZVFWFLSA-N 1 1 383.416 -0.787 20 0 GBADMO C[C@H](F)CC[NH+]1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 ZINC001575243800 949001723 /nfs/dbraw/zinc/00/17/23/949001723.db2.gz ROAISMYLSPQMIF-CMPLNLGQSA-N 1 1 390.423 -0.042 20 0 GBADMO C[C@H](F)CC[NH+]1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 ZINC001575243801 949002143 /nfs/dbraw/zinc/00/21/43/949002143.db2.gz ROAISMYLSPQMIF-JQWIXIFHSA-N 1 1 390.423 -0.042 20 0 GBADMO C[C@@H](F)CC[NH+]1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 ZINC001575243802 949002435 /nfs/dbraw/zinc/00/24/35/949002435.db2.gz ROAISMYLSPQMIF-PWSUYJOCSA-N 1 1 390.423 -0.042 20 0 GBADMO C[C@@H](F)CC[NH+]1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 ZINC001575243803 949002773 /nfs/dbraw/zinc/00/27/73/949002773.db2.gz ROAISMYLSPQMIF-ZYHUDNBSSA-N 1 1 390.423 -0.042 20 0 GBADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263887 949413471 /nfs/dbraw/zinc/41/34/71/949413471.db2.gz LBNJULJGPQQRID-LKFCYVNXSA-N 1 1 388.407 -0.376 20 0 GBADMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263888 949411517 /nfs/dbraw/zinc/41/15/17/949411517.db2.gz LBNJULJGPQQRID-OTYXRUKQSA-N 1 1 388.407 -0.376 20 0 GBADMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263889 949412987 /nfs/dbraw/zinc/41/29/87/949412987.db2.gz LBNJULJGPQQRID-XPTSAGLGSA-N 1 1 388.407 -0.376 20 0 GBADMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263890 949411793 /nfs/dbraw/zinc/41/17/93/949411793.db2.gz LBNJULJGPQQRID-YMTOWFKASA-N 1 1 388.407 -0.376 20 0 GBADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575265122 949443512 /nfs/dbraw/zinc/44/35/12/949443512.db2.gz SLRYGQVXPWGYHQ-LKFCYVNXSA-N 1 1 388.407 -0.376 20 0 GBADMO 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380.449 -0.609 20 0 GBADMO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001594513920 985816665 /nfs/dbraw/zinc/81/66/65/985816665.db2.gz RNHYCBZVPWDBDE-ZDUSSCGKSA-N 1 1 380.449 -0.609 20 0 GBADMO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001594514052 985819595 /nfs/dbraw/zinc/81/95/95/985819595.db2.gz SZMFHTDLZMRBQO-CYBMUJFWSA-N 1 1 377.445 -0.229 20 0 GBADMO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001594514052 985819584 /nfs/dbraw/zinc/81/95/84/985819584.db2.gz SZMFHTDLZMRBQO-CYBMUJFWSA-N 1 1 377.445 -0.229 20 0 GBADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001594514053 985818637 /nfs/dbraw/zinc/81/86/37/985818637.db2.gz SZMFHTDLZMRBQO-ZDUSSCGKSA-N 1 1 377.445 -0.229 20 0 GBADMO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001594514053 985818620 /nfs/dbraw/zinc/81/86/20/985818620.db2.gz SZMFHTDLZMRBQO-ZDUSSCGKSA-N 1 1 377.445 -0.229 20 0 GBADMO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(=O)[O-] ZINC001594891895 982293150 /nfs/dbraw/zinc/29/31/50/982293150.db2.gz NVYJGSSRLZWWNH-AEIGPULVSA-N 1 1 382.461 -0.141 20 0 GBADMO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(=O)[O-] ZINC001594891897 982293373 /nfs/dbraw/zinc/29/33/73/982293373.db2.gz NVYJGSSRLZWWNH-OEYIWLLWSA-N 1 1 382.461 -0.141 20 0 GBADMO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(=O)[O-] ZINC001594891900 982293222 /nfs/dbraw/zinc/29/32/22/982293222.db2.gz NVYJGSSRLZWWNH-UYHMYPTGSA-N 1 1 382.461 -0.141 20 0 GBADMO CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(=O)[O-] ZINC001594891902 982293339 /nfs/dbraw/zinc/29/33/39/982293339.db2.gz NVYJGSSRLZWWNH-ZGMNHVEMSA-N 1 1 382.461 -0.141 20 0 GBADMO O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001595076994 951653211 /nfs/dbraw/zinc/65/32/11/951653211.db2.gz NWIKOSDXGOEFDW-INIZCTEOSA-N 1 1 383.493 -0.759 20 0 GBADMO O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001595077002 951653047 /nfs/dbraw/zinc/65/30/47/951653047.db2.gz NWIKOSDXGOEFDW-MRXNPFEDSA-N 1 1 383.493 -0.759 20 0 GBADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001595835182 982736933 /nfs/dbraw/zinc/73/69/33/982736933.db2.gz ITFCRCFFXZXTSO-GJRWTSMGSA-N 1 1 380.489 -0.173 20 0 GBADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001595835184 982736494 /nfs/dbraw/zinc/73/64/94/982736494.db2.gz ITFCRCFFXZXTSO-ZTENYAIWSA-N 1 1 380.489 -0.173 20 0 GBADMO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001596322724 983756539 /nfs/dbraw/zinc/75/65/39/983756539.db2.gz HASROBNLYNZBQQ-GOSISDBHSA-N 1 1 384.477 -0.826 20 0 GBADMO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001596322728 983756444 /nfs/dbraw/zinc/75/64/44/983756444.db2.gz HASROBNLYNZBQQ-SFHVURJKSA-N 1 1 384.477 -0.826 20 0 GBADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC001596403240 983962169 /nfs/dbraw/zinc/96/21/69/983962169.db2.gz GMGPYTDWZVRPAQ-GELUBGBASA-N 1 1 380.489 -0.032 20 0 GBADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC001596403241 983962657 /nfs/dbraw/zinc/96/26/57/983962657.db2.gz GMGPYTDWZVRPAQ-IDJSLIICSA-N 1 1 380.489 -0.032 20 0 GBADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C[C@@H]1C ZINC001596403242 983962487 /nfs/dbraw/zinc/96/24/87/983962487.db2.gz GMGPYTDWZVRPAQ-RSEPMYMBSA-N 1 1 380.489 -0.032 20 0 GBADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C[C@H]1C ZINC001596403243 983962353 /nfs/dbraw/zinc/96/23/53/983962353.db2.gz GMGPYTDWZVRPAQ-YHZMMZGRSA-N 1 1 380.489 -0.032 20 0 GBADMO CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])CC2)CC1 ZINC001596407255 983976936 /nfs/dbraw/zinc/97/69/36/983976936.db2.gz DFBHSYSQCMLZIK-INIZCTEOSA-N 1 1 380.489 -0.016 20 0 GBADMO CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])CC2)CC1 ZINC001596407256 983977798 /nfs/dbraw/zinc/97/77/98/983977798.db2.gz DFBHSYSQCMLZIK-MRXNPFEDSA-N 1 1 380.489 -0.016 20 0 GBADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001596415470 984022979 /nfs/dbraw/zinc/02/29/79/984022979.db2.gz LQVPSVXEDHAHAT-QHSZWVADSA-N 1 1 378.473 -0.278 20 0 GBADMO CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983141 990057425 /nfs/dbraw/zinc/05/74/25/990057425.db2.gz WKZJVVYGYKUEMQ-JGAGUJJZSA-N 1 1 378.473 -0.265 20 0 GBADMO CN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597983141 990057419 /nfs/dbraw/zinc/05/74/19/990057419.db2.gz WKZJVVYGYKUEMQ-JGAGUJJZSA-N 1 1 378.473 -0.265 20 0 GBADMO CN(CC(=O)[O-])C(=O)CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001598404656 991712326 /nfs/dbraw/zinc/71/23/26/991712326.db2.gz JSVSMWUKBPZBGM-AWEZNQCLSA-N 1 1 378.477 -0.068 20 0 GBADMO CN(CC(=O)[O-])C(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001598404659 991713638 /nfs/dbraw/zinc/71/36/38/991713638.db2.gz JSVSMWUKBPZBGM-CQSZACIVSA-N 1 1 378.477 -0.068 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598496367 992368808 /nfs/dbraw/zinc/36/88/08/992368808.db2.gz DMVOKYFUYIVHBI-UHFFFAOYSA-N 1 1 379.461 -0.061 20 0 GBADMO C[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)(N2CCOCC2)CC1 ZINC001598583916 993355892 /nfs/dbraw/zinc/35/58/92/993355892.db2.gz KYNYSZPWEWDUDZ-INIZCTEOSA-N 1 1 397.520 -0.559 20 0 GBADMO C[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)(N2CCOCC2)CC1 ZINC001598583917 993355941 /nfs/dbraw/zinc/35/59/41/993355941.db2.gz KYNYSZPWEWDUDZ-MRXNPFEDSA-N 1 1 397.520 -0.559 20 0 GBADMO Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1C(=O)[O-] ZINC001598584920 993368757 /nfs/dbraw/zinc/36/87/57/993368757.db2.gz HLHZXDODFPZMQO-LBPRGKRZSA-N 1 1 377.445 -0.054 20 0 GBADMO Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1C(=O)[O-] ZINC001598584920 993368756 /nfs/dbraw/zinc/36/87/56/993368756.db2.gz HLHZXDODFPZMQO-LBPRGKRZSA-N 1 1 377.445 -0.054 20 0 GBADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594448 993484301 /nfs/dbraw/zinc/48/43/01/993484301.db2.gz KXIZJWNZLULCNB-CABCVRRESA-N 1 1 380.489 -0.064 20 0 GBADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594450 993483837 /nfs/dbraw/zinc/48/38/37/993483837.db2.gz KXIZJWNZLULCNB-GJZGRUSLSA-N 1 1 380.489 -0.064 20 0 GBADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594452 993484145 /nfs/dbraw/zinc/48/41/45/993484145.db2.gz KXIZJWNZLULCNB-HUUCEWRRSA-N 1 1 380.489 -0.064 20 0 GBADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594455 993483848 /nfs/dbraw/zinc/48/38/48/993483848.db2.gz KXIZJWNZLULCNB-LSDHHAIUSA-N 1 1 380.489 -0.064 20 0 GBADMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@@H]([NH3+])C[C@]4(C(=O)[O-])C3)C2)C1 ZINC001598598090 993536088 /nfs/dbraw/zinc/53/60/88/993536088.db2.gz KRCHUYJVLBRGSU-FTUNRGFVSA-N 1 1 378.473 -0.419 20 0 GBADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@@H]([NH3+])C[C@]4(C(=O)[O-])C3)C2)C1 ZINC001598598093 993535968 /nfs/dbraw/zinc/53/59/68/993535968.db2.gz KRCHUYJVLBRGSU-RAKLQZGLSA-N 1 1 378.473 -0.419 20 0 GBADMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)C2)C1 ZINC001598598224 993537827 /nfs/dbraw/zinc/53/78/27/993537827.db2.gz MEYKLTGZVYDKCL-IBGZPJMESA-N 1 1 380.489 -0.062 20 0 GBADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)C2)C1 ZINC001598598227 993537657 /nfs/dbraw/zinc/53/76/57/993537657.db2.gz MEYKLTGZVYDKCL-LJQANCHMSA-N 1 1 380.489 -0.062 20 0 GBADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC[C@@H]21 ZINC001598598499 993541064 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387.458 -0.547 20 0 GBADMO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)CC(=O)N2C(C)(C)C)cn1 ZINC001632206251 1070932991 /nfs/dbraw/zinc/93/29/91/1070932991.db2.gz OUWANRQZBQZCSK-GMBSWORKSA-N 1 1 393.488 -0.425 20 0 GBADMO Cn1cc([C@@H]2[C@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC(=O)N2C(C)(C)C)cn1 ZINC001632206252 1070932791 /nfs/dbraw/zinc/93/27/91/1070932791.db2.gz OUWANRQZBQZCSK-IDHHARJASA-N 1 1 393.488 -0.425 20 0 GBADMO Cn1cc([C@@H]2[C@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)CC(=O)N2C(C)(C)C)cn1 ZINC001632206253 1070932776 /nfs/dbraw/zinc/93/27/76/1070932776.db2.gz OUWANRQZBQZCSK-OGWOLHLISA-N 1 1 393.488 -0.425 20 0 GBADMO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC(=O)N2C(C)(C)C)cn1 ZINC001632206254 1070934295 /nfs/dbraw/zinc/93/42/95/1070934295.db2.gz OUWANRQZBQZCSK-ZSZQSSIHSA-N 1 1 393.488 -0.425 20 0 GBADMO O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001632206342 1070934203 /nfs/dbraw/zinc/93/42/03/1070934203.db2.gz RBLWOFFLBMQVOK-IBGZPJMESA-N 1 1 385.424 -0.705 20 0 GBADMO O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001632206343 1070934387 /nfs/dbraw/zinc/93/43/87/1070934387.db2.gz RBLWOFFLBMQVOK-LJQANCHMSA-N 1 1 385.424 -0.705 20 0 GBADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n(C)c1 ZINC001632206347 1070934462 /nfs/dbraw/zinc/93/44/62/1070934462.db2.gz RJGPKUHXELMPGZ-INIZCTEOSA-N 1 1 388.490 -0.864 20 0 GBADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n(C)c1 ZINC001632206348 1070934552 /nfs/dbraw/zinc/93/45/52/1070934552.db2.gz RJGPKUHXELMPGZ-MRXNPFEDSA-N 1 1 388.490 -0.864 20 0 GBADMO CC(C)[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC001632206564 1070934322 /nfs/dbraw/zinc/93/43/22/1070934322.db2.gz VIXGBNRFTIYZSP-BEFAXECRSA-N 1 1 375.425 -0.226 20 0 GBADMO CC(C)[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC001632206565 1070934107 /nfs/dbraw/zinc/93/41/07/1070934107.db2.gz VIXGBNRFTIYZSP-DNVCBOLYSA-N 1 1 375.425 -0.226 20 0 GBADMO CC(C)[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC001632206566 1070934580 /nfs/dbraw/zinc/93/45/80/1070934580.db2.gz VIXGBNRFTIYZSP-HNAYVOBHSA-N 1 1 375.425 -0.226 20 0 GBADMO CC(C)[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC001632206567 1070934188 /nfs/dbraw/zinc/93/41/88/1070934188.db2.gz VIXGBNRFTIYZSP-KXBFYZLASA-N 1 1 375.425 -0.226 20 0 GBADMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001632206773 1070933894 /nfs/dbraw/zinc/93/38/94/1070933894.db2.gz YECMUNLEOYQCLK-DOTOQJQBSA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001632206774 1070934256 /nfs/dbraw/zinc/93/42/56/1070934256.db2.gz YECMUNLEOYQCLK-NVXWUHKLSA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001632206775 1070933861 /nfs/dbraw/zinc/93/38/61/1070933861.db2.gz YECMUNLEOYQCLK-RDJZCZTQSA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001632206776 1070934221 /nfs/dbraw/zinc/93/42/21/1070934221.db2.gz YECMUNLEOYQCLK-WBVHZDCISA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001632206784 1070934515 /nfs/dbraw/zinc/93/45/15/1070934515.db2.gz YLAJSLKNIQHLPT-KRWDZBQOSA-N 1 1 385.486 -0.561 20 0 GBADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001632206785 1070934358 /nfs/dbraw/zinc/93/43/58/1070934358.db2.gz YLAJSLKNIQHLPT-QGZVFWFLSA-N 1 1 385.486 -0.561 20 0 GBADMO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)c1 ZINC001632293182 1070936472 /nfs/dbraw/zinc/93/64/72/1070936472.db2.gz UIRZYQMLLAKFRL-NCXUSEDFSA-N 1 1 376.453 -0.275 20 0 GBADMO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)c1 ZINC001632293182 1070936461 /nfs/dbraw/zinc/93/64/61/1070936461.db2.gz UIRZYQMLLAKFRL-NCXUSEDFSA-N 1 1 376.453 -0.275 20 0 GBADMO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)c1 ZINC001632293183 1070936596 /nfs/dbraw/zinc/93/65/96/1070936596.db2.gz UIRZYQMLLAKFRL-WJFTUGDTSA-N 1 1 376.453 -0.275 20 0 GBADMO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C2)c1 ZINC001632293183 1070936576 /nfs/dbraw/zinc/93/65/76/1070936576.db2.gz UIRZYQMLLAKFRL-WJFTUGDTSA-N 1 1 376.453 -0.275 20 0 GBADMO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001632367587 1070937762 /nfs/dbraw/zinc/93/77/62/1070937762.db2.gz UOXGBJYENGATKQ-CABCVRRESA-N 1 1 395.504 -0.842 20 0 GBADMO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001632367588 1070937208 /nfs/dbraw/zinc/93/72/08/1070937208.db2.gz UOXGBJYENGATKQ-GJZGRUSLSA-N 1 1 395.504 -0.842 20 0 GBADMO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001632367589 1070937832 /nfs/dbraw/zinc/93/78/32/1070937832.db2.gz UOXGBJYENGATKQ-HUUCEWRRSA-N 1 1 395.504 -0.842 20 0 GBADMO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001632367590 1070937590 /nfs/dbraw/zinc/93/75/90/1070937590.db2.gz UOXGBJYENGATKQ-LSDHHAIUSA-N 1 1 395.504 -0.842 20 0 GBADMO COC[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001632383013 1070937809 /nfs/dbraw/zinc/93/78/09/1070937809.db2.gz MRUWTOCOAJRTFW-MSOLQXFVSA-N 1 1 387.477 -0.178 20 0 GBADMO COC[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001632383018 1070937502 /nfs/dbraw/zinc/93/75/02/1070937502.db2.gz MRUWTOCOAJRTFW-QZTJIDSGSA-N 1 1 387.477 -0.178 20 0 GBADMO COC[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001632383019 1070938552 /nfs/dbraw/zinc/93/85/52/1070938552.db2.gz MRUWTOCOAJRTFW-ROUUACIJSA-N 1 1 387.477 -0.178 20 0 GBADMO COC[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001632383020 1070939045 /nfs/dbraw/zinc/93/90/45/1070939045.db2.gz MRUWTOCOAJRTFW-ZWKOTPCHSA-N 1 1 387.477 -0.178 20 0 GBADMO Cc1cc(N2CCC(NC(=O)NCc3nnc4n3CCNC4=O)CC2)nc(C)[nH+]1 ZINC001632389784 1070938884 /nfs/dbraw/zinc/93/88/84/1070938884.db2.gz RCLMXRPAJWJROB-UHFFFAOYSA-N 1 1 399.459 -0.103 20 0 GBADMO Cc1cc(N2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2=O)n(C)n1 ZINC001632426990 1070939468 /nfs/dbraw/zinc/93/94/68/1070939468.db2.gz NUXJPTGZFQZFED-CABCVRRESA-N 1 1 378.477 -0.020 20 0 GBADMO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2=O)n(C)n1 ZINC001632426991 1070940007 /nfs/dbraw/zinc/94/00/07/1070940007.db2.gz NUXJPTGZFQZFED-GJZGRUSLSA-N 1 1 378.477 -0.020 20 0 GBADMO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2=O)n(C)n1 ZINC001632426992 1070939944 /nfs/dbraw/zinc/93/99/44/1070939944.db2.gz NUXJPTGZFQZFED-HUUCEWRRSA-N 1 1 378.477 -0.020 20 0 GBADMO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2=O)n(C)n1 ZINC001632426993 1070939977 /nfs/dbraw/zinc/93/99/77/1070939977.db2.gz NUXJPTGZFQZFED-LSDHHAIUSA-N 1 1 378.477 -0.020 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC001632472618 1070941788 /nfs/dbraw/zinc/94/17/88/1070941788.db2.gz OSTBVUHEJQLANA-AWEZNQCLSA-N 1 1 376.523 -0.191 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001632472620 1070942322 /nfs/dbraw/zinc/94/23/22/1070942322.db2.gz OSTBVUHEJQLANA-CQSZACIVSA-N 1 1 376.523 -0.191 20 0 GBADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCNC(=O)CO)cc1 ZINC001632576657 1070945268 /nfs/dbraw/zinc/94/52/68/1070945268.db2.gz AOONEIUHARZYTD-UHFFFAOYSA-N 1 1 391.472 -0.666 20 0 GBADMO Cc1sc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001632665449 1070948103 /nfs/dbraw/zinc/94/81/03/1070948103.db2.gz UAKJEJLVODKEHG-UHFFFAOYSA-N 1 1 388.515 -0.014 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001632730888 1070949086 /nfs/dbraw/zinc/94/90/86/1070949086.db2.gz GOTKGQRSMWGOKX-CYBMUJFWSA-N 1 1 376.523 -0.191 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001632730889 1070950228 /nfs/dbraw/zinc/95/02/28/1070950228.db2.gz GOTKGQRSMWGOKX-ZDUSSCGKSA-N 1 1 376.523 -0.191 20 0 GBADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001632735245 1070950334 /nfs/dbraw/zinc/95/03/34/1070950334.db2.gz YGJCZMQDGABDTA-UHFFFAOYSA-N 1 1 375.477 -0.243 20 0 GBADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001632735245 1070950328 /nfs/dbraw/zinc/95/03/28/1070950328.db2.gz YGJCZMQDGABDTA-UHFFFAOYSA-N 1 1 375.477 -0.243 20 0 GBADMO COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(OC)CCS(=O)(=O)C2)CC1 ZINC001632782660 1070950993 /nfs/dbraw/zinc/95/09/93/1070950993.db2.gz BGQGAWOHHFTLGE-INIZCTEOSA-N 1 1 376.475 -0.419 20 0 GBADMO COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC001632782661 1070951059 /nfs/dbraw/zinc/95/10/59/1070951059.db2.gz BGQGAWOHHFTLGE-MRXNPFEDSA-N 1 1 376.475 -0.419 20 0 GBADMO Cn1nc2c(c1C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)CS(=O)(=O)CC2 ZINC001632793912 1070952475 /nfs/dbraw/zinc/95/24/75/1070952475.db2.gz YGBMRWVIEJUWDD-CVEARBPZSA-N 1 1 396.513 -0.001 20 0 GBADMO Cn1nc2c(c1C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)CS(=O)(=O)CC2 ZINC001632793913 1070952293 /nfs/dbraw/zinc/95/22/93/1070952293.db2.gz YGBMRWVIEJUWDD-HOTGVXAUSA-N 1 1 396.513 -0.001 20 0 GBADMO Cn1nc2c(c1C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)CS(=O)(=O)CC2 ZINC001632793914 1070952503 /nfs/dbraw/zinc/95/25/03/1070952503.db2.gz YGBMRWVIEJUWDD-HZPDHXFCSA-N 1 1 396.513 -0.001 20 0 GBADMO Cn1nc2c(c1C(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)CS(=O)(=O)CC2 ZINC001632793915 1070952155 /nfs/dbraw/zinc/95/21/55/1070952155.db2.gz YGBMRWVIEJUWDD-JKSUJKDBSA-N 1 1 396.513 -0.001 20 0 GBADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001632819930 1070953452 /nfs/dbraw/zinc/95/34/52/1070953452.db2.gz CPMLLRDISOMFPC-UHFFFAOYSA-N 1 1 376.461 -0.524 20 0 GBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)CC1 ZINC001632820383 1070953420 /nfs/dbraw/zinc/95/34/20/1070953420.db2.gz NBSCVEFFNRUAKJ-UHFFFAOYSA-N 1 1 388.472 -0.020 20 0 GBADMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001632820661 1070953135 /nfs/dbraw/zinc/95/31/35/1070953135.db2.gz ZAPVLPKCXRDCLX-UHFFFAOYSA-N 1 1 392.460 -0.360 20 0 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CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC001632863293 1070955622 /nfs/dbraw/zinc/95/56/22/1070955622.db2.gz UUBNRQALGPXOHN-BNLOLNQZSA-N 1 1 398.485 -0.507 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC001632863294 1070955295 /nfs/dbraw/zinc/95/52/95/1070955295.db2.gz UUBNRQALGPXOHN-PLQHRBFRSA-N 1 1 398.485 -0.507 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC001632863294 1070955289 /nfs/dbraw/zinc/95/52/89/1070955289.db2.gz UUBNRQALGPXOHN-PLQHRBFRSA-N 1 1 398.485 -0.507 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC001632863295 1070955429 /nfs/dbraw/zinc/95/54/29/1070955429.db2.gz UUBNRQALGPXOHN-PPHDSNJXSA-N 1 1 398.485 -0.507 20 0 GBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC001632863295 1070955422 /nfs/dbraw/zinc/95/54/22/1070955422.db2.gz UUBNRQALGPXOHN-PPHDSNJXSA-N 1 1 398.485 -0.507 20 0 GBADMO 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ZINC001635744524 1071055175 /nfs/dbraw/zinc/05/51/75/1071055175.db2.gz CVEKWPOLFCMTFP-OAHLLOKOSA-N 1 1 378.397 -0.095 20 0 GBADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001635744662 1071055245 /nfs/dbraw/zinc/05/52/45/1071055245.db2.gz FOZZLUOPWXBTTO-DOPJRALCSA-N 1 1 387.477 -0.132 20 0 GBADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001635744663 1071055499 /nfs/dbraw/zinc/05/54/99/1071055499.db2.gz FOZZLUOPWXBTTO-KKXDTOCCSA-N 1 1 387.477 -0.132 20 0 GBADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001635744664 1071055077 /nfs/dbraw/zinc/05/50/77/1071055077.db2.gz FOZZLUOPWXBTTO-MORSLUCNSA-N 1 1 387.477 -0.132 20 0 GBADMO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001635744665 1071055046 /nfs/dbraw/zinc/05/50/46/1071055046.db2.gz FOZZLUOPWXBTTO-VHSSKADRSA-N 1 1 387.477 -0.132 20 0 GBADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001635745118 1071055511 /nfs/dbraw/zinc/05/55/11/1071055511.db2.gz HNVCWDHIOZYRPX-KRWDZBQOSA-N 1 1 385.486 -0.202 20 0 GBADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001635745119 1071055030 /nfs/dbraw/zinc/05/50/30/1071055030.db2.gz HNVCWDHIOZYRPX-QGZVFWFLSA-N 1 1 385.486 -0.202 20 0 GBADMO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001635745465 1071055523 /nfs/dbraw/zinc/05/55/23/1071055523.db2.gz ISFZALSLXPPPMZ-KRWDZBQOSA-N 1 1 385.486 -0.156 20 0 GBADMO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001635745469 1071055375 /nfs/dbraw/zinc/05/53/75/1071055375.db2.gz ISFZALSLXPPPMZ-QGZVFWFLSA-N 1 1 385.486 -0.156 20 0 GBADMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001635745654 1071055089 /nfs/dbraw/zinc/05/50/89/1071055089.db2.gz KHYXYUYJLFLPRK-IBGZPJMESA-N 1 1 387.440 -0.048 20 0 GBADMO Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001635745655 1071055389 /nfs/dbraw/zinc/05/53/89/1071055389.db2.gz KHYXYUYJLFLPRK-LJQANCHMSA-N 1 1 387.440 -0.048 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001635746014 1071056283 /nfs/dbraw/zinc/05/62/83/1071056283.db2.gz LVFCDJPOSMQTCP-KRWDZBQOSA-N 1 1 399.469 -0.975 20 0 GBADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001635746015 1071056272 /nfs/dbraw/zinc/05/62/72/1071056272.db2.gz LVFCDJPOSMQTCP-QGZVFWFLSA-N 1 1 399.469 -0.975 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001635746065 1071056250 /nfs/dbraw/zinc/05/62/50/1071056250.db2.gz NKHLCAGRZWKISH-GOSISDBHSA-N 1 1 397.497 -0.058 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001635746066 1071056304 /nfs/dbraw/zinc/05/63/04/1071056304.db2.gz NKHLCAGRZWKISH-SFHVURJKSA-N 1 1 397.497 -0.058 20 0 GBADMO COc1ccc(C2N=NC(=S)N2CC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001635746327 1071056238 /nfs/dbraw/zinc/05/62/38/1071056238.db2.gz NROBKCHNLSZGKX-KRWDZBQOSA-N 1 1 393.469 -0.291 20 0 GBADMO COc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001635746328 1071056111 /nfs/dbraw/zinc/05/61/11/1071056111.db2.gz NROBKCHNLSZGKX-QGZVFWFLSA-N 1 1 393.469 -0.291 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001635746471 1071056226 /nfs/dbraw/zinc/05/62/26/1071056226.db2.gz QAVTUPPVBRHUNZ-GOSISDBHSA-N 1 1 397.497 -0.058 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001635746472 1071056336 /nfs/dbraw/zinc/05/63/36/1071056336.db2.gz QAVTUPPVBRHUNZ-SFHVURJKSA-N 1 1 397.497 -0.058 20 0 GBADMO CC(C)N1C(=O)c2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc2S1(=O)=O ZINC001635746649 1071055972 /nfs/dbraw/zinc/05/59/72/1071055972.db2.gz RKOARBOPORAWNP-KRWDZBQOSA-N 1 1 397.453 -0.680 20 0 GBADMO CC(C)N1C(=O)c2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc2S1(=O)=O ZINC001635746650 1071056319 /nfs/dbraw/zinc/05/63/19/1071056319.db2.gz RKOARBOPORAWNP-QGZVFWFLSA-N 1 1 397.453 -0.680 20 0 GBADMO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001635746873 1071055808 /nfs/dbraw/zinc/05/58/08/1071055808.db2.gz VIVFWZOULICKAX-CGICMKJESA-N 1 1 383.470 -0.566 20 0 GBADMO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001635746874 1071055784 /nfs/dbraw/zinc/05/57/84/1071055784.db2.gz VIVFWZOULICKAX-GJBHZFNWSA-N 1 1 383.470 -0.566 20 0 GBADMO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001635746875 1071056151 /nfs/dbraw/zinc/05/61/51/1071056151.db2.gz VIVFWZOULICKAX-VDZSZVPASA-N 1 1 383.470 -0.566 20 0 GBADMO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001635746876 1071056187 /nfs/dbraw/zinc/05/61/87/1071056187.db2.gz VIVFWZOULICKAX-ZBZNSMLMSA-N 1 1 383.470 -0.566 20 0 GBADMO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C2=O ZINC001635747080 1071055838 /nfs/dbraw/zinc/05/58/38/1071055838.db2.gz WIGZPSRBRPUARN-UPRAQXHNSA-N 1 1 396.488 -0.410 20 0 GBADMO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@]1(CO)COCC[NH2+]1)C2=O ZINC001635747081 1071056123 /nfs/dbraw/zinc/05/61/23/1071056123.db2.gz WIGZPSRBRPUARN-VMDGZTHMSA-N 1 1 396.488 -0.410 20 0 GBADMO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C2=O ZINC001635747082 1071056098 /nfs/dbraw/zinc/05/60/98/1071056098.db2.gz WIGZPSRBRPUARN-ZNOIYHFQSA-N 1 1 396.488 -0.410 20 0 GBADMO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@]1(CO)COCC[NH2+]1)C2=O ZINC001635747083 1071055872 /nfs/dbraw/zinc/05/58/72/1071055872.db2.gz WIGZPSRBRPUARN-ZNZDAUKMSA-N 1 1 396.488 -0.410 20 0 GBADMO CC(C)(C)OC(=O)NC1CCN(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001635752900 1071055987 /nfs/dbraw/zinc/05/59/87/1071055987.db2.gz YDNITXILOBMIJC-GOSISDBHSA-N 1 1 386.493 -0.557 20 0 GBADMO CC(C)(C)OC(=O)NC1CCN(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001635752901 1071055901 /nfs/dbraw/zinc/05/59/01/1071055901.db2.gz YDNITXILOBMIJC-SFHVURJKSA-N 1 1 386.493 -0.557 20 0 GBADMO Cn1nc2c(c1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)CS(=O)(=O)CC2 ZINC001635778815 1071056962 /nfs/dbraw/zinc/05/69/62/1071056962.db2.gz GZZFCACEDWDNJG-CYBMUJFWSA-N 1 1 384.502 -0.142 20 0 GBADMO Cn1nc2c(c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO)CS(=O)(=O)CC2 ZINC001635778816 1071057137 /nfs/dbraw/zinc/05/71/37/1071057137.db2.gz GZZFCACEDWDNJG-ZDUSSCGKSA-N 1 1 384.502 -0.142 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n2ccccc12 ZINC001635823101 1071057902 /nfs/dbraw/zinc/05/79/02/1071057902.db2.gz SJBNUPSCOYTCMM-GFCCVEGCSA-N 1 1 381.458 -0.442 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n2ccccc12 ZINC001635823102 1071057709 /nfs/dbraw/zinc/05/77/09/1071057709.db2.gz SJBNUPSCOYTCMM-LBPRGKRZSA-N 1 1 381.458 -0.442 20 0 GBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC001635823108 1071057499 /nfs/dbraw/zinc/05/74/99/1071057499.db2.gz SPFPNBJKAUAZPU-CYBMUJFWSA-N 1 1 388.490 -0.484 20 0 GBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC001635823109 1071057647 /nfs/dbraw/zinc/05/76/47/1071057647.db2.gz SPFPNBJKAUAZPU-ZDUSSCGKSA-N 1 1 388.490 -0.484 20 0 GBADMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001635901105 1071058476 /nfs/dbraw/zinc/05/84/76/1071058476.db2.gz JODIZESVEGFKHV-HNNXBMFYSA-N 1 1 391.453 -0.305 20 0 GBADMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001635901105 1071058470 /nfs/dbraw/zinc/05/84/70/1071058470.db2.gz JODIZESVEGFKHV-HNNXBMFYSA-N 1 1 391.453 -0.305 20 0 GBADMO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001635901106 1071058582 /nfs/dbraw/zinc/05/85/82/1071058582.db2.gz JODIZESVEGFKHV-OAHLLOKOSA-N 1 1 391.453 -0.305 20 0 GBADMO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC001635901106 1071058572 /nfs/dbraw/zinc/05/85/72/1071058572.db2.gz JODIZESVEGFKHV-OAHLLOKOSA-N 1 1 391.453 -0.305 20 0 GBADMO CNC(=O)NC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001636010875 1071063554 /nfs/dbraw/zinc/06/35/54/1071063554.db2.gz CITZOGISLKDDMT-UHFFFAOYSA-N 1 1 383.493 -0.029 20 0 GBADMO CC(=O)c1cn(C2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)C2)nn1 ZINC001636012138 1071064025 /nfs/dbraw/zinc/06/40/25/1071064025.db2.gz WWMPXMAONWYFKG-UHFFFAOYSA-N 1 1 392.460 -0.072 20 0 GBADMO C[N@@H+](CCCO)C1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001636090003 1071065723 /nfs/dbraw/zinc/06/57/23/1071065723.db2.gz OETKGQLYPPIASD-UHFFFAOYSA-N 1 1 381.481 -0.355 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)[C@H](C)C1 ZINC001636090122 1071065952 /nfs/dbraw/zinc/06/59/52/1071065952.db2.gz QSRUBLPYDQRIBV-CYBMUJFWSA-N 1 1 395.464 -0.564 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)[C@H](C)C1 ZINC001636090122 1071065947 /nfs/dbraw/zinc/06/59/47/1071065947.db2.gz QSRUBLPYDQRIBV-CYBMUJFWSA-N 1 1 395.464 -0.564 20 0 GBADMO COC(=O)CC[N@H+]1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)[C@@H](C)C1 ZINC001636090134 1071065985 /nfs/dbraw/zinc/06/59/85/1071065985.db2.gz QSRUBLPYDQRIBV-ZDUSSCGKSA-N 1 1 395.464 -0.564 20 0 GBADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)[C@@H](C)C1 ZINC001636090134 1071065975 /nfs/dbraw/zinc/06/59/75/1071065975.db2.gz QSRUBLPYDQRIBV-ZDUSSCGKSA-N 1 1 395.464 -0.564 20 0 GBADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001636107954 1071066393 /nfs/dbraw/zinc/06/63/93/1071066393.db2.gz OXVYXEVEURPEMF-FGWVZKOKSA-N 1 1 379.417 -0.290 20 0 GBADMO CC[C@H](O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC001636112604 1071066813 /nfs/dbraw/zinc/06/68/13/1071066813.db2.gz HNKRVEMPCCDMMX-DKUMPPAJSA-N 1 1 378.477 -0.138 20 0 GBADMO CC[C@@H](O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC001636112705 1071067133 /nfs/dbraw/zinc/06/71/33/1071067133.db2.gz HNKRVEMPCCDMMX-JALIKCBVSA-N 1 1 378.477 -0.138 20 0 GBADMO Cc1cn2nnc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)c2c(=O)[nH]1 ZINC001636113748 1071066507 /nfs/dbraw/zinc/06/65/07/1071066507.db2.gz ZETWEHRLQCBDAS-YHWZYXNKSA-N 1 1 387.444 -0.048 20 0 GBADMO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001636129828 1071067521 /nfs/dbraw/zinc/06/75/21/1071067521.db2.gz TYXZJAHQIQFEBX-UHFFFAOYSA-N 1 1 398.485 -0.574 20 0 GBADMO CN1CC[C@H]([NH+]2CCC(NC(=O)c3nc4ncc(CCO)cn4n3)CC2)C1=O ZINC001636132485 1071067935 /nfs/dbraw/zinc/06/79/35/1071067935.db2.gz SPZFSBYFNVLQFF-AWEZNQCLSA-N 1 1 387.444 -0.916 20 0 GBADMO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nc4ncc(CCO)cn4n3)CC2)C1=O ZINC001636132486 1071067877 /nfs/dbraw/zinc/06/78/77/1071067877.db2.gz SPZFSBYFNVLQFF-CQSZACIVSA-N 1 1 387.444 -0.916 20 0 GBADMO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001636134619 1071067963 /nfs/dbraw/zinc/06/79/63/1071067963.db2.gz HVKLTFRFUCVJPX-BBRMVZONSA-N 1 1 394.447 -0.238 20 0 GBADMO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001636134620 1071068264 /nfs/dbraw/zinc/06/82/64/1071068264.db2.gz HVKLTFRFUCVJPX-CJNGLKHVSA-N 1 1 394.447 -0.238 20 0 GBADMO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001636134621 1071068100 /nfs/dbraw/zinc/06/81/00/1071068100.db2.gz HVKLTFRFUCVJPX-CZUORRHYSA-N 1 1 394.447 -0.238 20 0 GBADMO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001636134622 1071068408 /nfs/dbraw/zinc/06/84/08/1071068408.db2.gz HVKLTFRFUCVJPX-XJKSGUPXSA-N 1 1 394.447 -0.238 20 0 GBADMO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC001636139620 1071068050 /nfs/dbraw/zinc/06/80/50/1071068050.db2.gz IABJFZLOTLOMHR-GDBMZVCRSA-N 1 1 399.513 -0.078 20 0 GBADMO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC001636139621 1071068326 /nfs/dbraw/zinc/06/83/26/1071068326.db2.gz IABJFZLOTLOMHR-GOEBONIOSA-N 1 1 399.513 -0.078 20 0 GBADMO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC001636139623 1071067899 /nfs/dbraw/zinc/06/78/99/1071067899.db2.gz IABJFZLOTLOMHR-HOCLYGCPSA-N 1 1 399.513 -0.078 20 0 GBADMO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC001636139624 1071067657 /nfs/dbraw/zinc/06/76/57/1071067657.db2.gz IABJFZLOTLOMHR-ZBFHGGJFSA-N 1 1 399.513 -0.078 20 0 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Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cn1C ZINC001636882856 1071104780 /nfs/dbraw/zinc/10/47/80/1071104780.db2.gz DOCHMDPPHKDKBP-HUUCEWRRSA-N 1 1 399.517 -0.545 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cn1C ZINC001636882857 1071104655 /nfs/dbraw/zinc/10/46/55/1071104655.db2.gz DOCHMDPPHKDKBP-LSDHHAIUSA-N 1 1 399.517 -0.545 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC001636885065 1071104818 /nfs/dbraw/zinc/10/48/18/1071104818.db2.gz SHGYXTTWAWGUGO-CABCVRRESA-N 1 1 396.469 -0.670 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC001636885066 1071106001 /nfs/dbraw/zinc/10/60/01/1071106001.db2.gz SHGYXTTWAWGUGO-GJZGRUSLSA-N 1 1 396.469 -0.670 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC001636885067 1071105482 /nfs/dbraw/zinc/10/54/82/1071105482.db2.gz SHGYXTTWAWGUGO-HUUCEWRRSA-N 1 1 396.469 -0.670 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC001636885068 1071105694 /nfs/dbraw/zinc/10/56/94/1071105694.db2.gz SHGYXTTWAWGUGO-LSDHHAIUSA-N 1 1 396.469 -0.670 20 0 GBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001636885078 1071105847 /nfs/dbraw/zinc/10/58/47/1071105847.db2.gz SPYDZOFOMLKDAM-AEGPPILISA-N 1 1 385.490 -0.856 20 0 GBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001636885079 1071105635 /nfs/dbraw/zinc/10/56/35/1071105635.db2.gz SPYDZOFOMLKDAM-CFVMTHIKSA-N 1 1 385.490 -0.856 20 0 GBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001636885080 1071105442 /nfs/dbraw/zinc/10/54/42/1071105442.db2.gz SPYDZOFOMLKDAM-NWANDNLSSA-N 1 1 385.490 -0.856 20 0 GBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001636885081 1071105532 /nfs/dbraw/zinc/10/55/32/1071105532.db2.gz SPYDZOFOMLKDAM-QEJZJMRPSA-N 1 1 385.490 -0.856 20 0 GBADMO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001636885435 1071105505 /nfs/dbraw/zinc/10/55/05/1071105505.db2.gz WXHWHEZSBICYEF-CABCVRRESA-N 1 1 382.486 -0.395 20 0 GBADMO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001636885436 1071106049 /nfs/dbraw/zinc/10/60/49/1071106049.db2.gz WXHWHEZSBICYEF-GJZGRUSLSA-N 1 1 382.486 -0.395 20 0 GBADMO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001636885437 1071105808 /nfs/dbraw/zinc/10/58/08/1071105808.db2.gz WXHWHEZSBICYEF-HUUCEWRRSA-N 1 1 382.486 -0.395 20 0 GBADMO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001636885438 1071105549 /nfs/dbraw/zinc/10/55/49/1071105549.db2.gz WXHWHEZSBICYEF-LSDHHAIUSA-N 1 1 382.486 -0.395 20 0 GBADMO CCN1C(=O)[C@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CCN2C1=O ZINC001636917525 1071106948 /nfs/dbraw/zinc/10/69/48/1071106948.db2.gz BPHRWYXCGOKJMQ-QWHCGFSZSA-N 1 1 380.449 -0.996 20 0 GBADMO CCN1C(=O)[C@@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CCN2C1=O ZINC001636917526 1071107037 /nfs/dbraw/zinc/10/70/37/1071107037.db2.gz BPHRWYXCGOKJMQ-STQMWFEESA-N 1 1 380.449 -0.996 20 0 GBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC001636918301 1071106812 /nfs/dbraw/zinc/10/68/12/1071106812.db2.gz KIXJAYCNEQOAMU-HOTGVXAUSA-N 1 1 394.520 -0.726 20 0 GBADMO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC001636918301 1071106808 /nfs/dbraw/zinc/10/68/08/1071106808.db2.gz KIXJAYCNEQOAMU-HOTGVXAUSA-N 1 1 394.520 -0.726 20 0 GBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC001636918302 1071106871 /nfs/dbraw/zinc/10/68/71/1071106871.db2.gz KIXJAYCNEQOAMU-JKSUJKDBSA-N 1 1 394.520 -0.726 20 0 GBADMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC001636918302 1071106862 /nfs/dbraw/zinc/10/68/62/1071106862.db2.gz KIXJAYCNEQOAMU-JKSUJKDBSA-N 1 1 394.520 -0.726 20 0 GBADMO Cc1nccc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC001636919804 1071106829 /nfs/dbraw/zinc/10/68/29/1071106829.db2.gz YIPVQCRJYWDVNT-HNNXBMFYSA-N 1 1 375.477 -0.044 20 0 GBADMO CN1C(=O)NC2(CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC001636919820 1071107006 /nfs/dbraw/zinc/10/70/06/1071107006.db2.gz YVFVLZBVBUKPDP-LBPRGKRZSA-N 1 1 380.449 -0.948 20 0 GBADMO CNS(=O)(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001636924358 1071107076 /nfs/dbraw/zinc/10/70/76/1071107076.db2.gz AMWZHZTYMMJUOI-ZDUSSCGKSA-N 1 1 375.495 -0.951 20 0 GBADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@@]4(CC[N@@H+](C)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001636968723 1071108020 /nfs/dbraw/zinc/10/80/20/1071108020.db2.gz FSOZRUPOEQSRDQ-NNFUDEMPSA-N 1 1 375.473 -0.145 20 0 GBADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@]4(CC[N@@H+](C)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001636968724 1071107946 /nfs/dbraw/zinc/10/79/46/1071107946.db2.gz FSOZRUPOEQSRDQ-YKTARERQSA-N 1 1 375.473 -0.145 20 0 GBADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001636981499 1071109454 /nfs/dbraw/zinc/10/94/54/1071109454.db2.gz SZCXLZADUHGGTJ-KBPBESRZSA-N 1 1 384.444 -0.155 20 0 GBADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001636981500 1071109192 /nfs/dbraw/zinc/10/91/92/1071109192.db2.gz SZCXLZADUHGGTJ-KGLIPLIRSA-N 1 1 384.444 -0.155 20 0 GBADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001636981501 1071109305 /nfs/dbraw/zinc/10/93/05/1071109305.db2.gz SZCXLZADUHGGTJ-UONOGXRCSA-N 1 1 384.444 -0.155 20 0 GBADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001636981502 1071109470 /nfs/dbraw/zinc/10/94/70/1071109470.db2.gz SZCXLZADUHGGTJ-ZIAGYGMSSA-N 1 1 384.444 -0.155 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC001637024540 1071110497 /nfs/dbraw/zinc/11/04/97/1071110497.db2.gz FNKOMMOZOWWZBW-QWHCGFSZSA-N 1 1 383.470 -0.076 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC001637024540 1071110494 /nfs/dbraw/zinc/11/04/94/1071110494.db2.gz FNKOMMOZOWWZBW-QWHCGFSZSA-N 1 1 383.470 -0.076 20 0 GBADMO CN(CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C1=NS(=O)(=O)c2ccccc21 ZINC001637024544 1071110454 /nfs/dbraw/zinc/11/04/54/1071110454.db2.gz FQRIUJWNBRQFNM-UONOGXRCSA-N 1 1 392.481 -0.265 20 0 GBADMO CN(CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)C1=NS(=O)(=O)c2ccccc21 ZINC001637024544 1071110453 /nfs/dbraw/zinc/11/04/53/1071110453.db2.gz FQRIUJWNBRQFNM-UONOGXRCSA-N 1 1 392.481 -0.265 20 0 GBADMO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001637025389 1071110424 /nfs/dbraw/zinc/11/04/24/1071110424.db2.gz PHYLYVLUZWYGIR-JKSUJKDBSA-N 1 1 382.482 -0.337 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1OC ZINC001637025874 1071110316 /nfs/dbraw/zinc/11/03/16/1071110316.db2.gz SNZKLLHSSVIUIB-UONOGXRCSA-N 1 1 383.470 -0.116 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@](O)(C(F)F)C1 ZINC001637041907 1071111183 /nfs/dbraw/zinc/11/11/83/1071111183.db2.gz IFPKKTCVCAAEAU-CXAGYDPISA-N 1 1 375.416 -0.072 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@](O)(C(F)F)C1 ZINC001637041910 1071111150 /nfs/dbraw/zinc/11/11/50/1071111150.db2.gz IFPKKTCVCAAEAU-DYVFJYSZSA-N 1 1 375.416 -0.072 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@](O)(C(F)F)C1 ZINC001637041911 1071111343 /nfs/dbraw/zinc/11/13/43/1071111343.db2.gz IFPKKTCVCAAEAU-GUYCJALGSA-N 1 1 375.416 -0.072 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@](O)(C(F)F)C1 ZINC001637041912 1071111416 /nfs/dbraw/zinc/11/14/16/1071111416.db2.gz IFPKKTCVCAAEAU-SUMWQHHRSA-N 1 1 375.416 -0.072 20 0 GBADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)C[C@@H]21 ZINC001637115756 1071116132 /nfs/dbraw/zinc/11/61/32/1071116132.db2.gz PLFJPMFBAAMXKU-DYVFJYSZSA-N 1 1 394.497 -0.053 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)CC1=O ZINC001637137490 1071117092 /nfs/dbraw/zinc/11/70/92/1071117092.db2.gz AEQVDJAPFSTNIR-CYBMUJFWSA-N 1 1 390.444 -0.016 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)CC1=O ZINC001637137491 1071117274 /nfs/dbraw/zinc/11/72/74/1071117274.db2.gz AEQVDJAPFSTNIR-ZDUSSCGKSA-N 1 1 390.444 -0.016 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2)CC1=O ZINC001637139741 1071116988 /nfs/dbraw/zinc/11/69/88/1071116988.db2.gz RUFIOPROMMIZRR-HNNXBMFYSA-N 1 1 392.456 -0.071 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)CC1=O ZINC001637139742 1071116831 /nfs/dbraw/zinc/11/68/31/1071116831.db2.gz RUFIOPROMMIZRR-OAHLLOKOSA-N 1 1 392.456 -0.071 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cnc(SC)[nH]c2=O)CC1=O ZINC001637140181 1071117055 /nfs/dbraw/zinc/11/70/55/1071117055.db2.gz YZFLNQQABXRFOW-LLVKDONJSA-N 1 1 383.474 -0.187 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cnc(SC)[nH]c2=O)CC1=O ZINC001637140182 1071117374 /nfs/dbraw/zinc/11/73/74/1071117374.db2.gz YZFLNQQABXRFOW-NSHDSACASA-N 1 1 383.474 -0.187 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140196 1071116968 /nfs/dbraw/zinc/11/69/68/1071116968.db2.gz ZOICXXWOINOTSG-CXAGYDPISA-N 1 1 393.440 -0.173 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140197 1071117513 /nfs/dbraw/zinc/11/75/13/1071117513.db2.gz ZOICXXWOINOTSG-DYVFJYSZSA-N 1 1 393.440 -0.173 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140198 1071116859 /nfs/dbraw/zinc/11/68/59/1071116859.db2.gz ZOICXXWOINOTSG-GUYCJALGSA-N 1 1 393.440 -0.173 20 0 GBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140199 1071117500 /nfs/dbraw/zinc/11/75/00/1071117500.db2.gz ZOICXXWOINOTSG-SUMWQHHRSA-N 1 1 393.440 -0.173 20 0 GBADMO CC(C)N1CC[NH+](CCC(=O)NCCc2nnc3n2CCN(C)C3=O)CC1 ZINC001637187862 1071120223 /nfs/dbraw/zinc/12/02/23/1071120223.db2.gz AWRNVJYSRLJBGI-UHFFFAOYSA-N 1 1 377.493 -0.562 20 0 GBADMO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001637253896 1071122755 /nfs/dbraw/zinc/12/27/55/1071122755.db2.gz XMJNKEALACGHII-BXUZGUMPSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001637253907 1071122796 /nfs/dbraw/zinc/12/27/96/1071122796.db2.gz XMJNKEALACGHII-FZMZJTMJSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001637253909 1071122994 /nfs/dbraw/zinc/12/29/94/1071122994.db2.gz XMJNKEALACGHII-RISCZKNCSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001637253911 1071122898 /nfs/dbraw/zinc/12/28/98/1071122898.db2.gz XMJNKEALACGHII-SMDDNHRTSA-N 1 1 387.481 -0.093 20 0 GBADMO CS(=O)(=O)C[C@@H](O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001637313022 1071124168 /nfs/dbraw/zinc/12/41/68/1071124168.db2.gz KDURFIIBPHFOOL-BFHYXJOUSA-N 1 1 375.491 -0.666 20 0 GBADMO CS(=O)(=O)C[C@H](O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001637313023 1071123886 /nfs/dbraw/zinc/12/38/86/1071123886.db2.gz KDURFIIBPHFOOL-MGPQQGTHSA-N 1 1 375.491 -0.666 20 0 GBADMO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001637313598 1071123742 /nfs/dbraw/zinc/12/37/42/1071123742.db2.gz DLYLJOVIIVLFRM-KBXCAEBGSA-N 1 1 396.488 -0.435 20 0 GBADMO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001637313599 1071123791 /nfs/dbraw/zinc/12/37/91/1071123791.db2.gz DLYLJOVIIVLFRM-KDOFPFPSSA-N 1 1 396.488 -0.435 20 0 GBADMO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001637313600 1071125291 /nfs/dbraw/zinc/12/52/91/1071125291.db2.gz DLYLJOVIIVLFRM-KSSFIOAISA-N 1 1 396.488 -0.435 20 0 GBADMO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001637313601 1071125133 /nfs/dbraw/zinc/12/51/33/1071125133.db2.gz DLYLJOVIIVLFRM-RDTXWAMCSA-N 1 1 396.488 -0.435 20 0 GBADMO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001637313835 1071124987 /nfs/dbraw/zinc/12/49/87/1071124987.db2.gz IHXSSUQURKLIDC-INIZCTEOSA-N 1 1 384.498 -0.042 20 0 GBADMO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001637313836 1071124926 /nfs/dbraw/zinc/12/49/26/1071124926.db2.gz IHXSSUQURKLIDC-MRXNPFEDSA-N 1 1 384.498 -0.042 20 0 GBADMO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001637314191 1071124914 /nfs/dbraw/zinc/12/49/14/1071124914.db2.gz LVXVITKIMLPUTB-AWEZNQCLSA-N 1 1 383.470 -0.478 20 0 GBADMO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001637314191 1071124911 /nfs/dbraw/zinc/12/49/11/1071124911.db2.gz LVXVITKIMLPUTB-AWEZNQCLSA-N 1 1 383.470 -0.478 20 0 GBADMO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001637314192 1071124886 /nfs/dbraw/zinc/12/48/86/1071124886.db2.gz LVXVITKIMLPUTB-CQSZACIVSA-N 1 1 383.470 -0.478 20 0 GBADMO NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001637314192 1071124883 /nfs/dbraw/zinc/12/48/83/1071124883.db2.gz LVXVITKIMLPUTB-CQSZACIVSA-N 1 1 383.470 -0.478 20 0 GBADMO 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CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(S(N)(=O)=O)CCC2)CC1=O ZINC001638450225 1071172998 /nfs/dbraw/zinc/17/29/98/1071172998.db2.gz HNOYIZKWGBDTFH-UONOGXRCSA-N 1 1 386.518 -0.353 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(S(N)(=O)=O)CCC2)CC1=O ZINC001638450226 1071172967 /nfs/dbraw/zinc/17/29/67/1071172967.db2.gz HNOYIZKWGBDTFH-ZIAGYGMSSA-N 1 1 386.518 -0.353 20 0 GBADMO C[C@@H]1C[N@@H+](CCCNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CCCO1 ZINC001638478582 1071175198 /nfs/dbraw/zinc/17/51/98/1071175198.db2.gz SQCBDMCYUVKUNZ-GFCCVEGCSA-N 1 1 381.433 -0.945 20 0 GBADMO C[C@H]1C[N@@H+](CCCNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CCCO1 ZINC001638478583 1071174756 /nfs/dbraw/zinc/17/47/56/1071174756.db2.gz SQCBDMCYUVKUNZ-LBPRGKRZSA-N 1 1 381.433 -0.945 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@H](C)C1 ZINC001638480101 1071175151 /nfs/dbraw/zinc/17/51/51/1071175151.db2.gz ZYWNEXMUBOTNNM-CHWSQXEVSA-N 1 1 377.449 -0.933 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@H](C)C1 ZINC001638480102 1071174889 /nfs/dbraw/zinc/17/48/89/1071174889.db2.gz ZYWNEXMUBOTNNM-OLZOCXBDSA-N 1 1 377.449 -0.933 20 0 GBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)C1 ZINC001638480103 1071175104 /nfs/dbraw/zinc/17/51/04/1071175104.db2.gz ZYWNEXMUBOTNNM-QWHCGFSZSA-N 1 1 377.449 -0.933 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)C1 ZINC001638480104 1071174864 /nfs/dbraw/zinc/17/48/64/1071174864.db2.gz ZYWNEXMUBOTNNM-STQMWFEESA-N 1 1 377.449 -0.933 20 0 GBADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001638501075 1071176546 /nfs/dbraw/zinc/17/65/46/1071176546.db2.gz ANHREGZLQRIAKN-GFCCVEGCSA-N 1 1 375.433 -0.188 20 0 GBADMO CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001638501387 1071176425 /nfs/dbraw/zinc/17/64/25/1071176425.db2.gz PDSJVDRYMJVALB-AWEZNQCLSA-N 1 1 388.476 -0.273 20 0 GBADMO CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001638501387 1071176415 /nfs/dbraw/zinc/17/64/15/1071176415.db2.gz PDSJVDRYMJVALB-AWEZNQCLSA-N 1 1 388.476 -0.273 20 0 GBADMO CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001638501388 1071176121 /nfs/dbraw/zinc/17/61/21/1071176121.db2.gz PDSJVDRYMJVALB-CQSZACIVSA-N 1 1 388.476 -0.273 20 0 GBADMO CN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001638501388 1071176113 /nfs/dbraw/zinc/17/61/13/1071176113.db2.gz PDSJVDRYMJVALB-CQSZACIVSA-N 1 1 388.476 -0.273 20 0 GBADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001638529085 1071178380 /nfs/dbraw/zinc/17/83/80/1071178380.db2.gz UYQDYZJYVUDLBA-JTQLQIEISA-N 1 1 379.339 -0.623 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001638582992 1071180514 /nfs/dbraw/zinc/18/05/14/1071180514.db2.gz PJHZNOGNGHKNMK-UHFFFAOYSA-N 1 1 398.485 -0.376 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001638582992 1071180508 /nfs/dbraw/zinc/18/05/08/1071180508.db2.gz PJHZNOGNGHKNMK-UHFFFAOYSA-N 1 1 398.485 -0.376 20 0 GBADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NCC1(O)CCS(=O)(=O)CC1 ZINC001638655263 1071183196 /nfs/dbraw/zinc/18/31/96/1071183196.db2.gz JXXAIOACOVSLCJ-AWEZNQCLSA-N 1 1 375.491 -0.521 20 0 GBADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NCC1(O)CCS(=O)(=O)CC1 ZINC001638655264 1071182697 /nfs/dbraw/zinc/18/26/97/1071182697.db2.gz JXXAIOACOVSLCJ-CQSZACIVSA-N 1 1 375.491 -0.521 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@@H](CO)C1 ZINC001638655486 1071183260 /nfs/dbraw/zinc/18/32/60/1071183260.db2.gz PENSXHNYFBXYME-BMFZPTHFSA-N 1 1 384.477 -0.012 20 0 GBADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001638655487 1071182970 /nfs/dbraw/zinc/18/29/70/1071182970.db2.gz PENSXHNYFBXYME-FVQBIDKESA-N 1 1 384.477 -0.012 20 0 GBADMO CCOC(=O)N1C[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@@H](CO)C1 ZINC001638655488 1071182898 /nfs/dbraw/zinc/18/28/98/1071182898.db2.gz PENSXHNYFBXYME-KBMXLJTQSA-N 1 1 384.477 -0.012 20 0 GBADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC001638655489 1071183156 /nfs/dbraw/zinc/18/31/56/1071183156.db2.gz PENSXHNYFBXYME-VNQPRFMTSA-N 1 1 384.477 -0.012 20 0 GBADMO CS(=O)(=O)Cc1nc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC001638667430 1071182575 /nfs/dbraw/zinc/18/25/75/1071182575.db2.gz WWSYIVSENAETGA-UHFFFAOYSA-N 1 1 379.446 -0.224 20 0 GBADMO C[NH+]1CCC2(CC1)CN(C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)CCO2 ZINC001638670523 1071183027 /nfs/dbraw/zinc/18/30/27/1071183027.db2.gz CORJNOIPGUCINO-UHFFFAOYSA-N 1 1 386.478 -0.645 20 0 GBADMO COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC001638708798 1071185139 /nfs/dbraw/zinc/18/51/39/1071185139.db2.gz KPNDVMODAOJORF-KBPBESRZSA-N 1 1 377.507 -0.049 20 0 GBADMO CO[C@]1(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCS(=O)(=O)C1 ZINC001638717073 1071186159 /nfs/dbraw/zinc/18/61/59/1071186159.db2.gz ZINCZQQUIQVNBE-INIZCTEOSA-N 1 1 381.458 -0.032 20 0 GBADMO CO[C@@]1(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCS(=O)(=O)C1 ZINC001638717074 1071186234 /nfs/dbraw/zinc/18/62/34/1071186234.db2.gz ZINCZQQUIQVNBE-MRXNPFEDSA-N 1 1 381.458 -0.032 20 0 GBADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cnc2n(c1=O)CCS2 ZINC001638729508 1071186186 /nfs/dbraw/zinc/18/61/86/1071186186.db2.gz AUCSGBBQQHKHKB-UHFFFAOYSA-N 1 1 380.470 -0.040 20 0 GBADMO CC1(C)CN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC[N@H+]1CCO ZINC001638730591 1071186142 /nfs/dbraw/zinc/18/61/42/1071186142.db2.gz OESWTQUTMIZAMV-UHFFFAOYSA-N 1 1 381.458 -0.490 20 0 GBADMO CC1(C)CN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC[N@@H+]1CCO ZINC001638730591 1071186140 /nfs/dbraw/zinc/18/61/40/1071186140.db2.gz OESWTQUTMIZAMV-UHFFFAOYSA-N 1 1 381.458 -0.490 20 0 GBADMO CN(C)S(=O)(=O)N[C@@H](CNC(=O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC001638785806 1071188640 /nfs/dbraw/zinc/18/86/40/1071188640.db2.gz WXXOYYLIHVSMIC-HNNXBMFYSA-N 1 1 375.539 -0.695 20 0 GBADMO CN(C)S(=O)(=O)N[C@H](CNC(=O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC001638785831 1071188726 /nfs/dbraw/zinc/18/87/26/1071188726.db2.gz WXXOYYLIHVSMIC-OAHLLOKOSA-N 1 1 375.539 -0.695 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](CCCF)CC1 ZINC001638797714 1071189842 /nfs/dbraw/zinc/18/98/42/1071189842.db2.gz YGBMKRJUOJSQOC-UHFFFAOYSA-N 1 1 380.486 -0.676 20 0 GBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2nc3ncc(CCO)cn3n2)CC1 ZINC001638844871 1071190505 /nfs/dbraw/zinc/19/05/05/1071190505.db2.gz QUMOKAWSFOMVFO-UHFFFAOYSA-N 1 1 375.477 -0.195 20 0 GBADMO C[N@H+]1C[C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)[C@H](c2ccccc2)C1 ZINC001638870229 1071192808 /nfs/dbraw/zinc/19/28/08/1071192808.db2.gz FPDNHIMVARLQPB-CABCVRRESA-N 1 1 399.451 -0.101 20 0 GBADMO CC(C)[NH+]1CC(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001638886769 1071194120 /nfs/dbraw/zinc/19/41/20/1071194120.db2.gz VDYNHQKZBKTESC-UHFFFAOYSA-N 1 1 389.499 -0.423 20 0 GBADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC001638945200 1071195863 /nfs/dbraw/zinc/19/58/63/1071195863.db2.gz GXJZEFVDBAYDRW-UHFFFAOYSA-N 1 1 376.479 -0.572 20 0 GBADMO COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC001638979022 1071196907 /nfs/dbraw/zinc/19/69/07/1071196907.db2.gz ZAFBFAYCCMFHBG-IMPMIVQMSA-N 1 1 393.488 -0.522 20 0 GBADMO COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC001638979022 1071196901 /nfs/dbraw/zinc/19/69/01/1071196901.db2.gz ZAFBFAYCCMFHBG-IMPMIVQMSA-N 1 1 393.488 -0.522 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001639023295 1071197708 /nfs/dbraw/zinc/19/77/08/1071197708.db2.gz HUNLDIXFDHIFFE-SECBINFHSA-N 1 1 375.223 -0.764 20 0 GBADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001639023295 1071197703 /nfs/dbraw/zinc/19/77/03/1071197703.db2.gz HUNLDIXFDHIFFE-SECBINFHSA-N 1 1 375.223 -0.764 20 0 GBADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC001639023296 1071198261 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COCC[NH+](CCOC)C1CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 ZINC001639653301 1071221328 /nfs/dbraw/zinc/22/13/28/1071221328.db2.gz HVYWWBSMUHIICZ-AWEZNQCLSA-N 1 1 375.466 -0.322 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)c2sccc2S(N)(=O)=O)C1 ZINC001639654078 1071221152 /nfs/dbraw/zinc/22/11/52/1071221152.db2.gz SKMFEJYQOPNKMB-UHFFFAOYSA-N 1 1 377.488 -0.185 20 0 GBADMO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CC([NH2+]C2COC2)C1 ZINC001639671274 1071222094 /nfs/dbraw/zinc/22/20/94/1071222094.db2.gz KDHDYFPJYRNTSR-UHFFFAOYSA-N 1 1 399.444 -0.341 20 0 GBADMO COc1cc(C(=O)NCC(=O)N2CC([NH2+]C3COC3)C2)cc(OC)c1OC ZINC001639671295 1071222619 /nfs/dbraw/zinc/22/26/19/1071222619.db2.gz KQFMCFAKJSAENM-UHFFFAOYSA-N 1 1 379.413 -0.359 20 0 GBADMO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC([NH2+]C3COC3)C2)cc1 ZINC001639671529 1071222597 /nfs/dbraw/zinc/22/25/97/1071222597.db2.gz SLUOSIVSAPIBJD-UHFFFAOYSA-N 1 1 397.453 -0.659 20 0 GBADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001639671559 1071221976 /nfs/dbraw/zinc/22/19/76/1071221976.db2.gz UHDYBFYYIYZYSF-UHFFFAOYSA-N 1 1 398.485 -0.922 20 0 GBADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675132 1071222425 /nfs/dbraw/zinc/22/24/25/1071222425.db2.gz BPJYDHSAQGYDTJ-UHFFFAOYSA-N 1 1 376.457 -0.197 20 0 GBADMO NS(=O)(=O)c1cc(C(=O)N2CC([NH2+]C3COC3)C2)sc1Br ZINC001639675188 1071222463 /nfs/dbraw/zinc/22/24/63/1071222463.db2.gz FTHKKMHSNUKMOM-UHFFFAOYSA-N 1 1 396.288 -0.029 20 0 GBADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675280 1071222474 /nfs/dbraw/zinc/22/24/74/1071222474.db2.gz KBYDACZEENBDIP-DAXOMENPSA-N 1 1 399.513 -0.705 20 0 GBADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675281 1071222533 /nfs/dbraw/zinc/22/25/33/1071222533.db2.gz KBYDACZEENBDIP-KCXAZCMYSA-N 1 1 399.513 -0.705 20 0 GBADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675282 1071222327 /nfs/dbraw/zinc/22/23/27/1071222327.db2.gz KBYDACZEENBDIP-UHOFOFEASA-N 1 1 399.513 -0.705 20 0 GBADMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675283 1071222568 /nfs/dbraw/zinc/22/25/68/1071222568.db2.gz KBYDACZEENBDIP-WQVCFCJDSA-N 1 1 399.513 -0.705 20 0 GBADMO CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001639675323 1071222434 /nfs/dbraw/zinc/22/24/34/1071222434.db2.gz LYJOJNWKIJTUKI-UHFFFAOYSA-N 1 1 387.483 -0.084 20 0 GBADMO O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675459 1071222399 /nfs/dbraw/zinc/22/23/99/1071222399.db2.gz SIAOPHITAJIHAY-SJORKVTESA-N 1 1 375.425 -0.042 20 0 GBADMO O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CC([NH2+]C2COC2)C1 ZINC001639675486 1071222409 /nfs/dbraw/zinc/22/24/09/1071222409.db2.gz UZRBWKNJFRZEMV-UHFFFAOYSA-N 1 1 381.454 -0.480 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001639684685 1071221895 /nfs/dbraw/zinc/22/18/95/1071221895.db2.gz KMJPAQTVZGTVBD-DFHBCGBQSA-N 1 1 394.497 -0.138 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001639684686 1071222126 /nfs/dbraw/zinc/22/21/26/1071222126.db2.gz KMJPAQTVZGTVBD-WRSAYESZSA-N 1 1 394.497 -0.138 20 0 GBADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001639739418 1071224335 /nfs/dbraw/zinc/22/43/35/1071224335.db2.gz WWROGEWONDCPAD-UHFFFAOYSA-N 1 1 387.506 -0.528 20 0 GBADMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001639742432 1071224288 /nfs/dbraw/zinc/22/42/88/1071224288.db2.gz WJSFXYIKUFYSOB-CQSZACIVSA-N 1 1 381.481 -0.881 20 0 GBADMO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001639827375 1071228196 /nfs/dbraw/zinc/22/81/96/1071228196.db2.gz RLKASLGLLPSFEW-AWEZNQCLSA-N 1 1 388.403 -0.129 20 0 GBADMO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001639827376 1071228331 /nfs/dbraw/zinc/22/83/31/1071228331.db2.gz RLKASLGLLPSFEW-CQSZACIVSA-N 1 1 388.403 -0.129 20 0 GBADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001639916807 1071230236 /nfs/dbraw/zinc/23/02/36/1071230236.db2.gz JXRLYWYJXDUEHP-BZUAXINKSA-N 1 1 393.488 -0.521 20 0 GBADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001639916807 1071230233 /nfs/dbraw/zinc/23/02/33/1071230233.db2.gz JXRLYWYJXDUEHP-BZUAXINKSA-N 1 1 393.488 -0.521 20 0 GBADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(N)=O ZINC001639986641 1071232070 /nfs/dbraw/zinc/23/20/70/1071232070.db2.gz KRQNNMNEEWEBNC-CABCVRRESA-N 1 1 394.472 -0.026 20 0 GBADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(N)=O ZINC001639986642 1071232030 /nfs/dbraw/zinc/23/20/30/1071232030.db2.gz KRQNNMNEEWEBNC-GJZGRUSLSA-N 1 1 394.472 -0.026 20 0 GBADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C(N)=O ZINC001639986643 1071232403 /nfs/dbraw/zinc/23/24/03/1071232403.db2.gz KRQNNMNEEWEBNC-HUUCEWRRSA-N 1 1 394.472 -0.026 20 0 GBADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C(N)=O ZINC001639986644 1071232448 /nfs/dbraw/zinc/23/24/48/1071232448.db2.gz KRQNNMNEEWEBNC-LSDHHAIUSA-N 1 1 394.472 -0.026 20 0 GBADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001640061150 1071234839 /nfs/dbraw/zinc/23/48/39/1071234839.db2.gz BVMXYXOYKFWSIG-UHFFFAOYSA-N 1 1 393.473 -0.351 20 0 GBADMO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001640128735 1071236659 /nfs/dbraw/zinc/23/66/59/1071236659.db2.gz USOAJLTUCXWEFV-CVEARBPZSA-N 1 1 382.486 -0.192 20 0 GBADMO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001640128736 1071237174 /nfs/dbraw/zinc/23/71/74/1071237174.db2.gz USOAJLTUCXWEFV-HOTGVXAUSA-N 1 1 382.486 -0.192 20 0 GBADMO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001640128737 1071236971 /nfs/dbraw/zinc/23/69/71/1071236971.db2.gz USOAJLTUCXWEFV-HZPDHXFCSA-N 1 1 382.486 -0.192 20 0 GBADMO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001640128738 1071236586 /nfs/dbraw/zinc/23/65/86/1071236586.db2.gz USOAJLTUCXWEFV-JKSUJKDBSA-N 1 1 382.486 -0.192 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n2ccccc12 ZINC001640133369 1071236622 /nfs/dbraw/zinc/23/66/22/1071236622.db2.gz XCOVVWAVKQBDKR-CHWSQXEVSA-N 1 1 393.469 -0.347 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n2ccccc12 ZINC001640133370 1071237014 /nfs/dbraw/zinc/23/70/14/1071237014.db2.gz XCOVVWAVKQBDKR-OLZOCXBDSA-N 1 1 393.469 -0.347 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n2ccccc12 ZINC001640133371 1071236441 /nfs/dbraw/zinc/23/64/41/1071236441.db2.gz XCOVVWAVKQBDKR-QWHCGFSZSA-N 1 1 393.469 -0.347 20 0 GBADMO NS(=O)(=O)c1nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n2ccccc12 ZINC001640133372 1071237103 /nfs/dbraw/zinc/23/71/03/1071237103.db2.gz XCOVVWAVKQBDKR-STQMWFEESA-N 1 1 393.469 -0.347 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226900 1071239501 /nfs/dbraw/zinc/23/95/01/1071239501.db2.gz FVNJPIUCFNWFLT-CABCVRRESA-N 1 1 391.472 -0.212 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226901 1071239378 /nfs/dbraw/zinc/23/93/78/1071239378.db2.gz FVNJPIUCFNWFLT-GJZGRUSLSA-N 1 1 391.472 -0.212 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226902 1071239459 /nfs/dbraw/zinc/23/94/59/1071239459.db2.gz FVNJPIUCFNWFLT-HUUCEWRRSA-N 1 1 391.472 -0.212 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226903 1071239622 /nfs/dbraw/zinc/23/96/22/1071239622.db2.gz FVNJPIUCFNWFLT-LSDHHAIUSA-N 1 1 391.472 -0.212 20 0 GBADMO CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001640248349 1071240562 /nfs/dbraw/zinc/24/05/62/1071240562.db2.gz JSXCPZDEKDFWGG-AWEZNQCLSA-N 1 1 376.523 -0.237 20 0 GBADMO CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001640248350 1071240507 /nfs/dbraw/zinc/24/05/07/1071240507.db2.gz JSXCPZDEKDFWGG-CQSZACIVSA-N 1 1 376.523 -0.237 20 0 GBADMO C[C@@H](CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001640263743 1071240336 /nfs/dbraw/zinc/24/03/36/1071240336.db2.gz RWCBWAUUYXBSMO-SDDRHHMPSA-N 1 1 381.433 -0.948 20 0 GBADMO C[C@@H](CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001640263743 1071240326 /nfs/dbraw/zinc/24/03/26/1071240326.db2.gz RWCBWAUUYXBSMO-SDDRHHMPSA-N 1 1 381.433 -0.948 20 0 GBADMO C[C@H](CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001640263744 1071240485 /nfs/dbraw/zinc/24/04/85/1071240485.db2.gz RWCBWAUUYXBSMO-UTUOFQBUSA-N 1 1 381.433 -0.948 20 0 GBADMO C[C@H](CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001640263744 1071240473 /nfs/dbraw/zinc/24/04/73/1071240473.db2.gz RWCBWAUUYXBSMO-UTUOFQBUSA-N 1 1 381.433 -0.948 20 0 GBADMO CN(C)S(=O)(=O)NCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)s1 ZINC001640269895 1071240371 /nfs/dbraw/zinc/24/03/71/1071240371.db2.gz RQPZXCQREJIVSA-UHFFFAOYSA-N 1 1 389.547 -0.379 20 0 GBADMO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001640298953 1071242603 /nfs/dbraw/zinc/24/26/03/1071242603.db2.gz NXVMOYMZPDLQDO-INIZCTEOSA-N 1 1 390.502 -0.198 20 0 GBADMO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC001640298953 1071242594 /nfs/dbraw/zinc/24/25/94/1071242594.db2.gz NXVMOYMZPDLQDO-INIZCTEOSA-N 1 1 390.502 -0.198 20 0 GBADMO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001640298954 1071242486 /nfs/dbraw/zinc/24/24/86/1071242486.db2.gz NXVMOYMZPDLQDO-MRXNPFEDSA-N 1 1 390.502 -0.198 20 0 GBADMO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC001640298954 1071242482 /nfs/dbraw/zinc/24/24/82/1071242482.db2.gz NXVMOYMZPDLQDO-MRXNPFEDSA-N 1 1 390.502 -0.198 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001640388659 1071244848 /nfs/dbraw/zinc/24/48/48/1071244848.db2.gz LMAIVNANGOWGPA-UHFFFAOYSA-N 1 1 376.523 -0.331 20 0 GBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC001640589524 1071249055 /nfs/dbraw/zinc/24/90/55/1071249055.db2.gz OYNYCMARPWVCJK-KBPBESRZSA-N 1 1 385.490 -0.686 20 0 GBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC001640589525 1071248780 /nfs/dbraw/zinc/24/87/80/1071248780.db2.gz OYNYCMARPWVCJK-KGLIPLIRSA-N 1 1 385.490 -0.686 20 0 GBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC001640589526 1071249246 /nfs/dbraw/zinc/24/92/46/1071249246.db2.gz OYNYCMARPWVCJK-UONOGXRCSA-N 1 1 385.490 -0.686 20 0 GBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC001640589527 1071248956 /nfs/dbraw/zinc/24/89/56/1071248956.db2.gz OYNYCMARPWVCJK-ZIAGYGMSSA-N 1 1 385.490 -0.686 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 ZINC001640611875 1071249774 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C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)n[nH]1 ZINC001641209711 1071265537 /nfs/dbraw/zinc/26/55/37/1071265537.db2.gz FGGABLMQSZAPCZ-OWCLPIDISA-N 1 1 397.501 -0.908 20 0 GBADMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)n[nH]1 ZINC001641209712 1071265763 /nfs/dbraw/zinc/26/57/63/1071265763.db2.gz FGGABLMQSZAPCZ-PMPSAXMXSA-N 1 1 397.501 -0.908 20 0 GBADMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)n[nH]1 ZINC001641209712 1071265744 /nfs/dbraw/zinc/26/57/44/1071265744.db2.gz FGGABLMQSZAPCZ-PMPSAXMXSA-N 1 1 397.501 -0.908 20 0 GBADMO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001641262207 1071267711 /nfs/dbraw/zinc/26/77/11/1071267711.db2.gz RGKKNBAUPNGCBG-GDBMZVCRSA-N 1 1 399.513 -0.078 20 0 GBADMO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001641262208 1071267731 /nfs/dbraw/zinc/26/77/31/1071267731.db2.gz RGKKNBAUPNGCBG-GOEBONIOSA-N 1 1 399.513 -0.078 20 0 GBADMO 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390.487 -0.750 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001641735571 1071280102 /nfs/dbraw/zinc/28/01/02/1071280102.db2.gz NCHYFWUAPXONAZ-HNNXBMFYSA-N 1 1 387.440 -0.640 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)c(Cl)o1 ZINC001641735738 1071279890 /nfs/dbraw/zinc/27/98/90/1071279890.db2.gz RPEUIJCAMUQMEF-UHFFFAOYSA-N 1 1 378.838 -0.574 20 0 GBADMO Cn1c2[nH]c(CCC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc2c(=O)[nH]c1=O ZINC001641797494 1071280759 /nfs/dbraw/zinc/28/07/59/1071280759.db2.gz MATWEOSTQHNJMZ-GFCCVEGCSA-N 1 1 390.444 -0.648 20 0 GBADMO Cn1c2[nH]c(CCC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc2c(=O)[nH]c1=O ZINC001641797496 1071280878 /nfs/dbraw/zinc/28/08/78/1071280878.db2.gz MATWEOSTQHNJMZ-LBPRGKRZSA-N 1 1 390.444 -0.648 20 0 GBADMO CN1CCn2ncc(C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2S1(=O)=O ZINC001641798046 1071281372 /nfs/dbraw/zinc/28/13/72/1071281372.db2.gz URMFEONHIOKSFA-CYBMUJFWSA-N 1 1 383.474 -0.812 20 0 GBADMO 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C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001642573982 1071303961 /nfs/dbraw/zinc/30/39/61/1071303961.db2.gz GHOGYEOXXNKCEW-WFASDCNBSA-N 1 1 396.875 -0.161 20 0 GBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001642601017 1071304789 /nfs/dbraw/zinc/30/47/89/1071304789.db2.gz VPXGKOPTRZMUPS-UHFFFAOYSA-N 1 1 376.523 -0.237 20 0 GBADMO C[C@@H]([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1nncn1C ZINC001642642400 1071305919 /nfs/dbraw/zinc/30/59/19/1071305919.db2.gz HOONKSYLNWPKIK-GFCCVEGCSA-N 1 1 380.474 -0.138 20 0 GBADMO C[C@H]([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1nncn1C ZINC001642642401 1071306018 /nfs/dbraw/zinc/30/60/18/1071306018.db2.gz HOONKSYLNWPKIK-LBPRGKRZSA-N 1 1 380.474 -0.138 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC001642675636 1071307841 /nfs/dbraw/zinc/30/78/41/1071307841.db2.gz CEGCNQGQHQKSBM-UHFFFAOYSA-N 1 1 388.877 -0.167 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001642675976 1071307751 /nfs/dbraw/zinc/30/77/51/1071307751.db2.gz IWESFEOXYMDLFA-IBGZPJMESA-N 1 1 387.440 -0.413 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001642675977 1071307050 /nfs/dbraw/zinc/30/70/50/1071307050.db2.gz IWESFEOXYMDLFA-LJQANCHMSA-N 1 1 387.440 -0.413 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001642676224 1071307254 /nfs/dbraw/zinc/30/72/54/1071307254.db2.gz LBTHBJIJOPXVIK-CVEARBPZSA-N 1 1 375.429 -0.810 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001642676225 1071307810 /nfs/dbraw/zinc/30/78/10/1071307810.db2.gz LBTHBJIJOPXVIK-HOTGVXAUSA-N 1 1 375.429 -0.810 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001642676227 1071306905 /nfs/dbraw/zinc/30/69/05/1071306905.db2.gz LBTHBJIJOPXVIK-HZPDHXFCSA-N 1 1 375.429 -0.810 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001642676228 1071307787 /nfs/dbraw/zinc/30/77/87/1071307787.db2.gz LBTHBJIJOPXVIK-JKSUJKDBSA-N 1 1 375.429 -0.810 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCCCn1cnc2c1ncnc2N ZINC001642676485 1071307162 /nfs/dbraw/zinc/30/71/62/1071307162.db2.gz PWRQCTGQRSVXQD-UHFFFAOYSA-N 1 1 388.476 -0.189 20 0 GBADMO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@@]1(CO)COCC[NH2+]1 ZINC001642783792 1071309001 /nfs/dbraw/zinc/30/90/01/1071309001.db2.gz ABSSXGYHYUMBLW-GOSISDBHSA-N 1 1 376.413 -0.781 20 0 GBADMO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@]1(CO)COCC[NH2+]1 ZINC001642783793 1071308493 /nfs/dbraw/zinc/30/84/93/1071308493.db2.gz ABSSXGYHYUMBLW-SFHVURJKSA-N 1 1 376.413 -0.781 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001642783906 1071308957 /nfs/dbraw/zinc/30/89/57/1071308957.db2.gz CWJGEHFRDIANOF-HNNXBMFYSA-N 1 1 375.422 -0.843 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001642783907 1071308255 /nfs/dbraw/zinc/30/82/55/1071308255.db2.gz CWJGEHFRDIANOF-OAHLLOKOSA-N 1 1 375.422 -0.843 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001642783970 1071308122 /nfs/dbraw/zinc/30/81/22/1071308122.db2.gz GAVQUWQNIVRPMQ-AWEZNQCLSA-N 1 1 386.334 -0.238 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001642783971 1071309039 /nfs/dbraw/zinc/30/90/39/1071309039.db2.gz GAVQUWQNIVRPMQ-CQSZACIVSA-N 1 1 386.334 -0.238 20 0 GBADMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001642784267 1071308663 /nfs/dbraw/zinc/30/86/63/1071308663.db2.gz LHKULTFTRIVOLB-KRWDZBQOSA-N 1 1 383.470 -0.484 20 0 GBADMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001642784268 1071308770 /nfs/dbraw/zinc/30/87/70/1071308770.db2.gz LHKULTFTRIVOLB-QGZVFWFLSA-N 1 1 383.470 -0.484 20 0 GBADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@@]3(CO)COCC[NH2+]3)c(=O)[nH]c21 ZINC001642784391 1071309062 /nfs/dbraw/zinc/30/90/62/1071309062.db2.gz MQCKLDSIYBJOQZ-DDKKJVIOSA-N 1 1 375.429 -0.214 20 0 GBADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@]3(CO)COCC[NH2+]3)c(=O)[nH]c21 ZINC001642784395 1071309166 /nfs/dbraw/zinc/30/91/66/1071309166.db2.gz MQCKLDSIYBJOQZ-JXCVUKRWSA-N 1 1 375.429 -0.214 20 0 GBADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@@]3(CO)COCC[NH2+]3)c(=O)[nH]c21 ZINC001642784397 1071308302 /nfs/dbraw/zinc/30/83/02/1071308302.db2.gz MQCKLDSIYBJOQZ-OAJJDEHYSA-N 1 1 375.429 -0.214 20 0 GBADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@]3(CO)COCC[NH2+]3)c(=O)[nH]c21 ZINC001642784399 1071308440 /nfs/dbraw/zinc/30/84/40/1071308440.db2.gz MQCKLDSIYBJOQZ-WHLIDYPQSA-N 1 1 375.429 -0.214 20 0 GBADMO COc1cc(OC)cc(N2C[C@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC2=O)c1 ZINC001642784620 1071309146 /nfs/dbraw/zinc/30/91/46/1071309146.db2.gz PXMACUNRVVOGBA-BFUOFWGJSA-N 1 1 393.440 -0.476 20 0 GBADMO COc1cc(OC)cc(N2C[C@@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)CC2=O)c1 ZINC001642784621 1071308157 /nfs/dbraw/zinc/30/81/57/1071308157.db2.gz PXMACUNRVVOGBA-DJJJIMSYSA-N 1 1 393.440 -0.476 20 0 GBADMO COc1cc(OC)cc(N2C[C@@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC2=O)c1 ZINC001642784622 1071308203 /nfs/dbraw/zinc/30/82/03/1071308203.db2.gz PXMACUNRVVOGBA-ORAYPTAESA-N 1 1 393.440 -0.476 20 0 GBADMO COc1cc(OC)cc(N2C[C@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)CC2=O)c1 ZINC001642784623 1071308617 /nfs/dbraw/zinc/30/86/17/1071308617.db2.gz PXMACUNRVVOGBA-YJYMSZOUSA-N 1 1 393.440 -0.476 20 0 GBADMO Cc1c(C(=O)NC[C@]2(CO)COCC[NH2+]2)sc2nc3n(c(=O)c12)CCC3 ZINC001642784834 1071308856 /nfs/dbraw/zinc/30/88/56/1071308856.db2.gz UBKPDLUNUFRINT-KRWDZBQOSA-N 1 1 378.454 -0.207 20 0 GBADMO Cc1c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)sc2nc3n(c(=O)c12)CCC3 ZINC001642784835 1071308692 /nfs/dbraw/zinc/30/86/92/1071308692.db2.gz UBKPDLUNUFRINT-QGZVFWFLSA-N 1 1 378.454 -0.207 20 0 GBADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@]3(CO)COCC[NH2+]3)C2=O)cc1 ZINC001642784849 1071308088 /nfs/dbraw/zinc/30/80/88/1071308088.db2.gz UMICEFBPKDDIHF-MOPGFXCFSA-N 1 1 390.440 -0.771 20 0 GBADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@]3(CO)COCC[NH2+]3)C2=O)cc1 ZINC001642784850 1071308803 /nfs/dbraw/zinc/30/88/03/1071308803.db2.gz UMICEFBPKDDIHF-OALUTQOASA-N 1 1 390.440 -0.771 20 0 GBADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@]3(CO)COCC[NH2+]3)C2=O)cc1 ZINC001642784851 1071309101 /nfs/dbraw/zinc/30/91/01/1071309101.db2.gz UMICEFBPKDDIHF-RBUKOAKNSA-N 1 1 390.440 -0.771 20 0 GBADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@]3(CO)COCC[NH2+]3)C2=O)cc1 ZINC001642784852 1071308910 /nfs/dbraw/zinc/30/89/10/1071308910.db2.gz UMICEFBPKDDIHF-RTBURBONSA-N 1 1 390.440 -0.771 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001642788133 1071310220 /nfs/dbraw/zinc/31/02/20/1071310220.db2.gz GRMXADLSHFPTIL-DOMZBBRYSA-N 1 1 389.499 -0.632 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001642788134 1071310191 /nfs/dbraw/zinc/31/01/91/1071310191.db2.gz GRMXADLSHFPTIL-IUODEOHRSA-N 1 1 389.499 -0.632 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001642788135 1071309716 /nfs/dbraw/zinc/30/97/16/1071309716.db2.gz GRMXADLSHFPTIL-SWLSCSKDSA-N 1 1 389.499 -0.632 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001642788136 1071309764 /nfs/dbraw/zinc/30/97/64/1071309764.db2.gz GRMXADLSHFPTIL-WFASDCNBSA-N 1 1 389.499 -0.632 20 0 GBADMO O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001642788146 1071309908 /nfs/dbraw/zinc/30/99/08/1071309908.db2.gz HMEQULCLRPQUFJ-GOSISDBHSA-N 1 1 397.497 -0.374 20 0 GBADMO O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001642788147 1071309535 /nfs/dbraw/zinc/30/95/35/1071309535.db2.gz HMEQULCLRPQUFJ-SFHVURJKSA-N 1 1 397.497 -0.374 20 0 GBADMO CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001642788230 1071310109 /nfs/dbraw/zinc/31/01/09/1071310109.db2.gz KPAITIUFNAPAAX-KRWDZBQOSA-N 1 1 387.477 -0.394 20 0 GBADMO CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001642788231 1071310014 /nfs/dbraw/zinc/31/00/14/1071310014.db2.gz KPAITIUFNAPAAX-QGZVFWFLSA-N 1 1 387.477 -0.394 20 0 GBADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001642788289 1071310039 /nfs/dbraw/zinc/31/00/39/1071310039.db2.gz NQFGKIHXNZDDDY-APWZRJJASA-N 1 1 377.441 -0.233 20 0 GBADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001642788290 1071310160 /nfs/dbraw/zinc/31/01/60/1071310160.db2.gz NQFGKIHXNZDDDY-LPHOPBHVSA-N 1 1 377.441 -0.233 20 0 GBADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001642788291 1071309784 /nfs/dbraw/zinc/30/97/84/1071309784.db2.gz NQFGKIHXNZDDDY-QFBILLFUSA-N 1 1 377.441 -0.233 20 0 GBADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001642788292 1071309839 /nfs/dbraw/zinc/30/98/39/1071309839.db2.gz NQFGKIHXNZDDDY-VQIMIIECSA-N 1 1 377.441 -0.233 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)ccc1F ZINC001642788383 1071309991 /nfs/dbraw/zinc/30/99/91/1071309991.db2.gz ROHQTDSYQJXLTP-HNNXBMFYSA-N 1 1 375.422 -0.843 20 0 GBADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)ccc1F ZINC001642788384 1071309684 /nfs/dbraw/zinc/30/96/84/1071309684.db2.gz ROHQTDSYQJXLTP-OAHLLOKOSA-N 1 1 375.422 -0.843 20 0 GBADMO Cc1c(C(=O)NC[C@]2(CO)COCC[NH2+]2)nnn1Cc1ccc(F)cc1F ZINC001642788573 1071309608 /nfs/dbraw/zinc/30/96/08/1071309608.db2.gz ZBMOMTMVSLHDKA-KRWDZBQOSA-N 1 1 381.383 -0.006 20 0 GBADMO Cc1c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)nnn1Cc1ccc(F)cc1F ZINC001642788574 1071310259 /nfs/dbraw/zinc/31/02/59/1071310259.db2.gz ZBMOMTMVSLHDKA-QGZVFWFLSA-N 1 1 381.383 -0.006 20 0 GBADMO CN1C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001642804269 1071311261 /nfs/dbraw/zinc/31/12/61/1071311261.db2.gz GCSKOLHBLMJHMW-CYBMUJFWSA-N 1 1 397.476 -0.870 20 0 GBADMO CN1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001642804270 1071311196 /nfs/dbraw/zinc/31/11/96/1071311196.db2.gz GCSKOLHBLMJHMW-ZDUSSCGKSA-N 1 1 397.476 -0.870 20 0 GBADMO 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1071339979 /nfs/dbraw/zinc/33/99/79/1071339979.db2.gz OBUMAXFSDHJMAR-OGWOLHLISA-N 1 1 376.457 -0.092 20 0 GBADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)[C@@H](CO)NC(N)=O)C2)O1 ZINC001643531777 1071339963 /nfs/dbraw/zinc/33/99/63/1071339963.db2.gz OBUMAXFSDHJMAR-OGWOLHLISA-N 1 1 376.457 -0.092 20 0 GBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)[C@H](CO)NC(N)=O)C2)O1 ZINC001643531778 1071340048 /nfs/dbraw/zinc/34/00/48/1071340048.db2.gz OBUMAXFSDHJMAR-SIXWZSSISA-N 1 1 376.457 -0.092 20 0 GBADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)[C@H](CO)NC(N)=O)C2)O1 ZINC001643531778 1071340038 /nfs/dbraw/zinc/34/00/38/1071340038.db2.gz OBUMAXFSDHJMAR-SIXWZSSISA-N 1 1 376.457 -0.092 20 0 GBADMO CC(C)(C)OC(=O)NCC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)CO ZINC001643534296 1071340368 /nfs/dbraw/zinc/34/03/68/1071340368.db2.gz JETVSYMLGKAGBR-GFCCVEGCSA-N 1 1 388.465 -0.503 20 0 GBADMO CC(C)(C)OC(=O)NCC[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)CO ZINC001643534296 1071340356 /nfs/dbraw/zinc/34/03/56/1071340356.db2.gz JETVSYMLGKAGBR-GFCCVEGCSA-N 1 1 388.465 -0.503 20 0 GBADMO CC(C)(C)OC(=O)NCC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](O)CO ZINC001643534297 1071339826 /nfs/dbraw/zinc/33/98/26/1071339826.db2.gz JETVSYMLGKAGBR-LBPRGKRZSA-N 1 1 388.465 -0.503 20 0 GBADMO CC(C)(C)OC(=O)NCC[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](O)CO ZINC001643534297 1071339813 /nfs/dbraw/zinc/33/98/13/1071339813.db2.gz JETVSYMLGKAGBR-LBPRGKRZSA-N 1 1 388.465 -0.503 20 0 GBADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001643579812 1071341306 /nfs/dbraw/zinc/34/13/06/1071341306.db2.gz KLCLJJMYFQCRHY-UHFFFAOYSA-N 1 1 387.506 -0.120 20 0 GBADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001643585187 1071341287 /nfs/dbraw/zinc/34/12/87/1071341287.db2.gz QVZRESBMHOAXBT-AWEZNQCLSA-N 1 1 381.481 -0.473 20 0 GBADMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608026 1071342195 /nfs/dbraw/zinc/34/21/95/1071342195.db2.gz XXOBSDGGRSBWDM-DVOMOZLQSA-N 1 1 396.513 -0.033 20 0 GBADMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608027 1071342013 /nfs/dbraw/zinc/34/20/13/1071342013.db2.gz XXOBSDGGRSBWDM-IOASZLSFSA-N 1 1 396.513 -0.033 20 0 GBADMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608028 1071342632 /nfs/dbraw/zinc/34/26/32/1071342632.db2.gz XXOBSDGGRSBWDM-WWGRRREGSA-N 1 1 396.513 -0.033 20 0 GBADMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608029 1071342118 /nfs/dbraw/zinc/34/21/18/1071342118.db2.gz XXOBSDGGRSBWDM-XJKCOSOUSA-N 1 1 396.513 -0.033 20 0 GBADMO C[NH+]1CCN(Cc2ccc(C(=O)NCc3nnc4n3CCNC4=O)s2)CC1 ZINC001643669107 1071343299 /nfs/dbraw/zinc/34/32/99/1071343299.db2.gz QANGQHBIXYGTEE-UHFFFAOYSA-N 1 1 389.485 -0.240 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001643682892 1071343033 /nfs/dbraw/zinc/34/30/33/1071343033.db2.gz YGSWQMURMNYFTB-CYBMUJFWSA-N 1 1 379.417 -0.783 20 0 GBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001643682893 1071343566 /nfs/dbraw/zinc/34/35/66/1071343566.db2.gz YGSWQMURMNYFTB-ZDUSSCGKSA-N 1 1 379.417 -0.783 20 0 GBADMO CC(C)(C)OC(=O)N1CCN(CCC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001643700963 1071344634 /nfs/dbraw/zinc/34/46/34/1071344634.db2.gz HVQXINFYPLTRTA-GOSISDBHSA-N 1 1 386.493 -0.604 20 0 GBADMO CC(C)(C)OC(=O)N1CCN(CCC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001643700964 1071344189 /nfs/dbraw/zinc/34/41/89/1071344189.db2.gz HVQXINFYPLTRTA-SFHVURJKSA-N 1 1 386.493 -0.604 20 0 GBADMO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001643700965 1071344854 /nfs/dbraw/zinc/34/48/54/1071344854.db2.gz HWQGPHGYCUFPKZ-HKUYNNGSSA-N 1 1 392.431 -0.179 20 0 GBADMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643700966 1071344772 /nfs/dbraw/zinc/34/47/72/1071344772.db2.gz HWQGPHGYCUFPKZ-IEBWSBKVSA-N 1 1 392.431 -0.179 20 0 GBADMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001643700967 1071344168 /nfs/dbraw/zinc/34/41/68/1071344168.db2.gz HWQGPHGYCUFPKZ-MJGOQNOKSA-N 1 1 392.431 -0.179 20 0 GBADMO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643700970 1071344805 /nfs/dbraw/zinc/34/48/05/1071344805.db2.gz HWQGPHGYCUFPKZ-PKOBYXMFSA-N 1 1 392.431 -0.179 20 0 GBADMO O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643701354 1071344734 /nfs/dbraw/zinc/34/47/34/1071344734.db2.gz MXESFDMCJVCYOX-GOSISDBHSA-N 1 1 393.465 -0.415 20 0 GBADMO O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NC[C@]1(CO)COCC[NH2+]1 ZINC001643701355 1071344666 /nfs/dbraw/zinc/34/46/66/1071344666.db2.gz MXESFDMCJVCYOX-SFHVURJKSA-N 1 1 393.465 -0.415 20 0 GBADMO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001643701476 1071344718 /nfs/dbraw/zinc/34/47/18/1071344718.db2.gz OXUZWPBDXQSBHN-AWEZNQCLSA-N 1 1 377.850 -0.915 20 0 GBADMO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643701477 1071344027 /nfs/dbraw/zinc/34/40/27/1071344027.db2.gz OXUZWPBDXQSBHN-CQSZACIVSA-N 1 1 377.850 -0.915 20 0 GBADMO COc1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc(Cl)c1OCC(N)=O ZINC001643701531 1071344519 /nfs/dbraw/zinc/34/45/19/1071344519.db2.gz QATFETYUQRZLOH-INIZCTEOSA-N 1 1 387.820 -0.707 20 0 GBADMO COc1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc(Cl)c1OCC(N)=O ZINC001643701532 1071344276 /nfs/dbraw/zinc/34/42/76/1071344276.db2.gz QATFETYUQRZLOH-MRXNPFEDSA-N 1 1 387.820 -0.707 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001643702011 1071344351 /nfs/dbraw/zinc/34/43/51/1071344351.db2.gz YUZIOGNUQPLYMA-GOSISDBHSA-N 1 1 397.497 -0.012 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001643702016 1071344067 /nfs/dbraw/zinc/34/40/67/1071344067.db2.gz YUZIOGNUQPLYMA-SFHVURJKSA-N 1 1 397.497 -0.012 20 0 GBADMO O=C(CNC(=O)c1ccc(Br)o1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643702113 1071344226 /nfs/dbraw/zinc/34/42/26/1071344226.db2.gz ZLRRMTIYHJSBPJ-CYBMUJFWSA-N 1 1 376.207 -0.761 20 0 GBADMO O=C(CNC(=O)c1ccc(Br)o1)NC[C@]1(CO)COCC[NH2+]1 ZINC001643702127 1071344082 /nfs/dbraw/zinc/34/40/82/1071344082.db2.gz ZLRRMTIYHJSBPJ-ZDUSSCGKSA-N 1 1 376.207 -0.761 20 0 GBADMO Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001643704404 1071344043 /nfs/dbraw/zinc/34/40/43/1071344043.db2.gz AHOYWHVVYOMMOK-KRWDZBQOSA-N 1 1 383.449 -0.475 20 0 GBADMO Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643704405 1071344913 /nfs/dbraw/zinc/34/49/13/1071344913.db2.gz AHOYWHVVYOMMOK-QGZVFWFLSA-N 1 1 383.449 -0.475 20 0 GBADMO CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643704881 1071345646 /nfs/dbraw/zinc/34/56/46/1071345646.db2.gz OEORWABZRMKTDU-CXAGYDPISA-N 1 1 381.433 -0.331 20 0 GBADMO CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001643704882 1071345441 /nfs/dbraw/zinc/34/54/41/1071345441.db2.gz OEORWABZRMKTDU-DYVFJYSZSA-N 1 1 381.433 -0.331 20 0 GBADMO CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001643704883 1071345709 /nfs/dbraw/zinc/34/57/09/1071345709.db2.gz OEORWABZRMKTDU-GUYCJALGSA-N 1 1 381.433 -0.331 20 0 GBADMO CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001643704884 1071345236 /nfs/dbraw/zinc/34/52/36/1071345236.db2.gz OEORWABZRMKTDU-SUMWQHHRSA-N 1 1 381.433 -0.331 20 0 GBADMO Cn1ncnc1C1(O)CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)s2)C1 ZINC001643712294 1071345474 /nfs/dbraw/zinc/34/54/74/1071345474.db2.gz FHUUGBTZPIWINA-UHFFFAOYSA-N 1 1 376.486 -0.032 20 0 GBADMO CCN(CC)S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001643738851 1071346802 /nfs/dbraw/zinc/34/68/02/1071346802.db2.gz UBWOLJYICCKWTJ-HUUCEWRRSA-N 1 1 376.523 -0.438 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2CCO[C@H]2C(=O)OC)ccc1C ZINC001643765476 1071346271 /nfs/dbraw/zinc/34/62/71/1071346271.db2.gz UILISWVWVJJTKE-SWLSCSKDSA-N 1 1 385.442 -0.238 20 0 GBADMO COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC001643803497 1071348299 /nfs/dbraw/zinc/34/82/99/1071348299.db2.gz PTADNELZTDVPRS-ZGUYJTEBSA-N 1 1 397.516 -0.008 20 0 GBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC001643803933 1071348111 /nfs/dbraw/zinc/34/81/11/1071348111.db2.gz XDVAHUCICFYQLZ-QWHCGFSZSA-N 1 1 386.474 -0.780 20 0 GBADMO Cn1c2sc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3CO)cc2c(=O)n(C)c1=O ZINC001643803957 1071348140 /nfs/dbraw/zinc/34/81/40/1071348140.db2.gz YGPQNVSSXVWOIP-WDEREUQCSA-N 1 1 378.454 -0.420 20 0 GBADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001643817506 1071349127 /nfs/dbraw/zinc/34/91/27/1071349127.db2.gz AFNGJBFHIRFTMO-DFBGVHRSSA-N 1 1 387.440 -0.341 20 0 GBADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001643817508 1071350302 /nfs/dbraw/zinc/35/03/02/1071350302.db2.gz AFNGJBFHIRFTMO-TUKIKUTGSA-N 1 1 387.440 -0.341 20 0 GBADMO NC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H]1C(N)=O ZINC001643817590 1071350196 /nfs/dbraw/zinc/35/01/96/1071350196.db2.gz CBBLTNQTSPNDPS-TXEJJXNPSA-N 1 1 388.346 -0.280 20 0 GBADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001643818267 1071350680 /nfs/dbraw/zinc/35/06/80/1071350680.db2.gz OILWOYFFZVVFMC-GASCZTMLSA-N 1 1 389.456 -0.374 20 0 GBADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001643818267 1071350670 /nfs/dbraw/zinc/35/06/70/1071350670.db2.gz OILWOYFFZVVFMC-GASCZTMLSA-N 1 1 389.456 -0.374 20 0 GBADMO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC001643818268 1071350554 /nfs/dbraw/zinc/35/05/54/1071350554.db2.gz OILWOYFFZVVFMC-GJZGRUSLSA-N 1 1 389.456 -0.374 20 0 GBADMO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001643818269 1071349274 /nfs/dbraw/zinc/34/92/74/1071349274.db2.gz OILWOYFFZVVFMC-HUUCEWRRSA-N 1 1 389.456 -0.374 20 0 GBADMO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cs2)c1C ZINC001643818272 1071349522 /nfs/dbraw/zinc/34/95/22/1071349522.db2.gz ONUIYOZGAMFNRI-RYUDHWBXSA-N 1 1 390.469 -0.461 20 0 GBADMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cs2)c1C ZINC001643818273 1071350031 /nfs/dbraw/zinc/35/00/31/1071350031.db2.gz ONUIYOZGAMFNRI-TXEJJXNPSA-N 1 1 390.469 -0.461 20 0 GBADMO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cs2)c1C ZINC001643818273 1071350018 /nfs/dbraw/zinc/35/00/18/1071350018.db2.gz ONUIYOZGAMFNRI-TXEJJXNPSA-N 1 1 390.469 -0.461 20 0 GBADMO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)cs2)c1C ZINC001643818274 1071349192 /nfs/dbraw/zinc/34/91/92/1071349192.db2.gz ONUIYOZGAMFNRI-VXGBXAGGSA-N 1 1 390.469 -0.461 20 0 GBADMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818520 1071349219 /nfs/dbraw/zinc/34/92/19/1071349219.db2.gz SVRFHGGOJJDEHS-RTXFEEFZSA-N 1 1 380.420 -0.300 20 0 GBADMO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818522 1071349479 /nfs/dbraw/zinc/34/94/79/1071349479.db2.gz SVRFHGGOJJDEHS-WCFLWFBJSA-N 1 1 380.420 -0.300 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827398 1071349672 /nfs/dbraw/zinc/34/96/72/1071349672.db2.gz KFOAKYPIBXXIQG-BMFZPTHFSA-N 1 1 390.488 -0.484 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827399 1071350086 /nfs/dbraw/zinc/35/00/86/1071350086.db2.gz KFOAKYPIBXXIQG-BPUTZDHNSA-N 1 1 390.488 -0.484 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827400 1071349927 /nfs/dbraw/zinc/34/99/27/1071349927.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 1 1 390.488 -0.484 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827401 1071349775 /nfs/dbraw/zinc/34/97/75/1071349775.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 1 1 390.488 -0.484 20 0 GBADMO COC(=O)[C@@]1(N2CC[NH+](C[C@@H](O)CN(C)CC(F)(F)F)CC2)CCOC1 ZINC001643889504 1071352197 /nfs/dbraw/zinc/35/21/97/1071352197.db2.gz NNBYIFDOIGTMPH-DZGCQCFKSA-N 1 1 383.411 -0.209 20 0 GBADMO COC(=O)[C@]1(N2CC[NH+](C[C@H](O)CN(C)CC(F)(F)F)CC2)CCOC1 ZINC001643889505 1071352438 /nfs/dbraw/zinc/35/24/38/1071352438.db2.gz NNBYIFDOIGTMPH-HIFRSBDPSA-N 1 1 383.411 -0.209 20 0 GBADMO COC(=O)[C@@]1(N2CC[NH+](C[C@H](O)CN(C)CC(F)(F)F)CC2)CCOC1 ZINC001643889506 1071352300 /nfs/dbraw/zinc/35/23/00/1071352300.db2.gz NNBYIFDOIGTMPH-UKRRQHHQSA-N 1 1 383.411 -0.209 20 0 GBADMO COC(=O)[C@]1(N2CC[NH+](C[C@@H](O)CN(C)CC(F)(F)F)CC2)CCOC1 ZINC001643889507 1071352426 /nfs/dbraw/zinc/35/24/26/1071352426.db2.gz NNBYIFDOIGTMPH-ZFWWWQNUSA-N 1 1 383.411 -0.209 20 0 GBADMO CN1CC[NH+](Cc2ccc(C(=O)NC(C)(C)CNS(N)(=O)=O)cc2)CC1 ZINC001643903562 1071353400 /nfs/dbraw/zinc/35/34/00/1071353400.db2.gz MXVWONFXJBKQMS-UHFFFAOYSA-N 1 1 383.518 -0.265 20 0 GBADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NCCN(C)CCS(C)(=O)=O)n2C ZINC001643911492 1071353044 /nfs/dbraw/zinc/35/30/44/1071353044.db2.gz GGIDRJPRGHYZLD-UHFFFAOYSA-N 1 1 382.490 -0.260 20 0 GBADMO CC(C)N1CC[NH+](CCCC(=O)NCc2nnc3n2CCN(C)C3=O)CC1 ZINC001643920320 1071353933 /nfs/dbraw/zinc/35/39/33/1071353933.db2.gz IPGMGAGXGSPLDS-UHFFFAOYSA-N 1 1 377.493 -0.214 20 0 GBADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920763 1071354999 /nfs/dbraw/zinc/35/49/99/1071354999.db2.gz YNDKIERLNQHWLG-KBPBESRZSA-N 1 1 386.460 -0.551 20 0 GBADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920764 1071355197 /nfs/dbraw/zinc/35/51/97/1071355197.db2.gz YNDKIERLNQHWLG-KGLIPLIRSA-N 1 1 386.460 -0.551 20 0 GBADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920765 1071355667 /nfs/dbraw/zinc/35/56/67/1071355667.db2.gz YNDKIERLNQHWLG-UONOGXRCSA-N 1 1 386.460 -0.551 20 0 GBADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920766 1071355337 /nfs/dbraw/zinc/35/53/37/1071355337.db2.gz YNDKIERLNQHWLG-ZIAGYGMSSA-N 1 1 386.460 -0.551 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC001643995673 1071358485 /nfs/dbraw/zinc/35/84/85/1071358485.db2.gz FWIDDCPPYGTXNB-HNNXBMFYSA-N 1 1 384.506 -0.155 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC001643995674 1071358137 /nfs/dbraw/zinc/35/81/37/1071358137.db2.gz FWIDDCPPYGTXNB-OAHLLOKOSA-N 1 1 384.506 -0.155 20 0 GBADMO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO)S(C)(=O)=O ZINC001644010090 1071358316 /nfs/dbraw/zinc/35/83/16/1071358316.db2.gz LVQKIJOGOXVFCQ-LSDHHAIUSA-N 1 1 379.523 -0.772 20 0 GBADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010099 1071358674 /nfs/dbraw/zinc/35/86/74/1071358674.db2.gz MBZYVASOMLVCOC-CRAIPNDOSA-N 1 1 376.494 -0.015 20 0 GBADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010200 1071358762 /nfs/dbraw/zinc/35/87/62/1071358762.db2.gz MBZYVASOMLVCOC-MAUKXSAKSA-N 1 1 376.494 -0.015 20 0 GBADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010201 1071357873 /nfs/dbraw/zinc/35/78/73/1071357873.db2.gz MBZYVASOMLVCOC-QAPCUYQASA-N 1 1 376.494 -0.015 20 0 GBADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010202 1071358438 /nfs/dbraw/zinc/35/84/38/1071358438.db2.gz MBZYVASOMLVCOC-YJBOKZPZSA-N 1 1 376.494 -0.015 20 0 GBADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)nn2)CC1 ZINC001644048180 1071359860 /nfs/dbraw/zinc/35/98/60/1071359860.db2.gz LHXUFWGLDHZVMT-UHFFFAOYSA-N 1 1 378.458 -0.422 20 0 GBADMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)n1 ZINC001644053570 1071359654 /nfs/dbraw/zinc/35/96/54/1071359654.db2.gz MZYSZBQIQQRQQX-GXTWGEPZSA-N 1 1 387.462 -0.662 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001644089989 1071360580 /nfs/dbraw/zinc/36/05/80/1071360580.db2.gz FPAYVQWGDFQUEP-GUTXKFCHSA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C)[C@H](CO)C1 ZINC001644089989 1071360563 /nfs/dbraw/zinc/36/05/63/1071360563.db2.gz FPAYVQWGDFQUEP-GUTXKFCHSA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001644089990 1071360974 /nfs/dbraw/zinc/36/09/74/1071360974.db2.gz FPAYVQWGDFQUEP-GZBFAFLISA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001644089990 1071360954 /nfs/dbraw/zinc/36/09/54/1071360954.db2.gz FPAYVQWGDFQUEP-GZBFAFLISA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+](C)[C@@H](CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001644089991 1071360048 /nfs/dbraw/zinc/36/00/48/1071360048.db2.gz FPAYVQWGDFQUEP-KCQAQPDRSA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@H+](C)[C@@H](CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001644089991 1071360033 /nfs/dbraw/zinc/36/00/33/1071360033.db2.gz FPAYVQWGDFQUEP-KCQAQPDRSA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+](C)[C@H](CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001644089992 1071360626 /nfs/dbraw/zinc/36/06/26/1071360626.db2.gz FPAYVQWGDFQUEP-YDHLFZDLSA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@H](NC(=O)[C@H](C)N1CC[N@H+](C)[C@H](CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001644089992 1071360612 /nfs/dbraw/zinc/36/06/12/1071360612.db2.gz FPAYVQWGDFQUEP-YDHLFZDLSA-N 1 1 384.502 -0.492 20 0 GBADMO C[C@]12C[N@@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@]1(C)C(=O)NC2=O ZINC001644115796 1071361675 /nfs/dbraw/zinc/36/16/75/1071361675.db2.gz GOPBAOMVVJHRKD-CALCHBBNSA-N 1 1 387.375 -0.276 20 0 GBADMO C[C@]12C[N@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@]1(C)C(=O)NC2=O ZINC001644115796 1071361662 /nfs/dbraw/zinc/36/16/62/1071361662.db2.gz GOPBAOMVVJHRKD-CALCHBBNSA-N 1 1 387.375 -0.276 20 0 GBADMO C[C@]12C[NH+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@]1(C)C(=O)NC2=O ZINC001644115797 1071361831 /nfs/dbraw/zinc/36/18/31/1071361831.db2.gz GOPBAOMVVJHRKD-IAGOWNOFSA-N 1 1 387.375 -0.276 20 0 GBADMO C[C@@]12C[NH+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@]1(C)C(=O)NC2=O ZINC001644115798 1071361483 /nfs/dbraw/zinc/36/14/83/1071361483.db2.gz GOPBAOMVVJHRKD-IRXDYDNUSA-N 1 1 387.375 -0.276 20 0 GBADMO C[C@]12C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001644116863 1071361370 /nfs/dbraw/zinc/36/13/70/1071361370.db2.gz QSTVGPXCOFFMJA-KDURUIRLSA-N 1 1 388.424 -0.849 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC001644128319 1071362407 /nfs/dbraw/zinc/36/24/07/1071362407.db2.gz CDKSWHPMLOJCQC-XXAQJILISA-N 1 1 377.532 -0.488 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC001644128319 1071362398 /nfs/dbraw/zinc/36/23/98/1071362398.db2.gz CDKSWHPMLOJCQC-XXAQJILISA-N 1 1 377.532 -0.488 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 ZINC001644128320 1071362892 /nfs/dbraw/zinc/36/28/92/1071362892.db2.gz CDKSWHPMLOJCQC-XMQCVEROSA-N 1 1 377.532 -0.488 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 ZINC001644128320 1071362885 /nfs/dbraw/zinc/36/28/85/1071362885.db2.gz CDKSWHPMLOJCQC-XMQCVEROSA-N 1 1 377.532 -0.488 20 0 GBADMO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001644148912 1071362775 /nfs/dbraw/zinc/36/27/75/1071362775.db2.gz NUOIWHUCXZRJFI-FPMFFAJLSA-N 1 1 385.511 -0.135 20 0 GBADMO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001644148913 1071362327 /nfs/dbraw/zinc/36/23/27/1071362327.db2.gz NUOIWHUCXZRJFI-KWCYVHTRSA-N 1 1 385.511 -0.135 20 0 GBADMO CNS(=O)(=O)c1ccc(C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cc1 ZINC001644234989 1071367349 /nfs/dbraw/zinc/36/73/49/1071367349.db2.gz RMEFNCIOAUHQTH-UHFFFAOYSA-N 1 1 375.472 -0.883 20 0 GBADMO CC1(C)[C@H](NC(=O)CNS(=O)(=O)c2cccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC001644250738 1071367967 /nfs/dbraw/zinc/36/79/67/1071367967.db2.gz CHTVAWLKQWRJCG-CABCVRRESA-N 1 1 382.486 -0.025 20 0 GBADMO CC1(C)[C@@H](NC(=O)CNS(=O)(=O)c2cccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC001644250739 1071368439 /nfs/dbraw/zinc/36/84/39/1071368439.db2.gz CHTVAWLKQWRJCG-GJZGRUSLSA-N 1 1 382.486 -0.025 20 0 GBADMO CC1(C)[C@H](NC(=O)CNS(=O)(=O)c2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC001644250740 1071368520 /nfs/dbraw/zinc/36/85/20/1071368520.db2.gz CHTVAWLKQWRJCG-HUUCEWRRSA-N 1 1 382.486 -0.025 20 0 GBADMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001644250741 1071367998 /nfs/dbraw/zinc/36/79/98/1071367998.db2.gz CHTVAWLKQWRJCG-LSDHHAIUSA-N 1 1 382.486 -0.025 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)C1 ZINC001644273104 1071369644 /nfs/dbraw/zinc/36/96/44/1071369644.db2.gz NCKSLQPWQVFYRM-UHFFFAOYSA-N 1 1 375.447 -0.345 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC001644276986 1071369507 /nfs/dbraw/zinc/36/95/07/1071369507.db2.gz JTZHLNGEXOISJK-UHFFFAOYSA-N 1 1 385.486 -0.318 20 0 GBADMO CNS(=O)(=O)c1cc(C(=O)N2CC([NH+](CCOC)CCOC)C2)c(C)o1 ZINC001644277170 1071369750 /nfs/dbraw/zinc/36/97/50/1071369750.db2.gz MVKRXKCJJLQJLZ-UHFFFAOYSA-N 1 1 389.474 -0.085 20 0 GBADMO COCC[NH+](CCOC)C1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC001644277823 1071369907 /nfs/dbraw/zinc/36/99/07/1071369907.db2.gz XGCHCMDKOYNZBJ-UHFFFAOYSA-N 1 1 385.486 -0.106 20 0 GBADMO COC1(OC)CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H]1O ZINC001644310945 1071371000 /nfs/dbraw/zinc/37/10/00/1071371000.db2.gz BDWYWKXEGHFGTO-AWEZNQCLSA-N 1 1 395.522 -0.782 20 0 GBADMO COC1(OC)CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H]1O ZINC001644310945 1071370986 /nfs/dbraw/zinc/37/09/86/1071370986.db2.gz BDWYWKXEGHFGTO-AWEZNQCLSA-N 1 1 395.522 -0.782 20 0 GBADMO COC1(OC)CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1O ZINC001644310946 1071370410 /nfs/dbraw/zinc/37/04/10/1071370410.db2.gz BDWYWKXEGHFGTO-CQSZACIVSA-N 1 1 395.522 -0.782 20 0 GBADMO COC1(OC)CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1O ZINC001644310946 1071370403 /nfs/dbraw/zinc/37/04/03/1071370403.db2.gz BDWYWKXEGHFGTO-CQSZACIVSA-N 1 1 395.522 -0.782 20 0 GBADMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cc(S(N)(=O)=O)ccc3C)C[C@@H]2C1 ZINC001644314930 1071371135 /nfs/dbraw/zinc/37/11/35/1071371135.db2.gz MDOMQIZEZYIFRA-OKILXGFUSA-N 1 1 380.470 -0.009 20 0 GBADMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cc(S(N)(=O)=O)ccc3C)C[C@@H]2C1 ZINC001644314930 1071371125 /nfs/dbraw/zinc/37/11/25/1071371125.db2.gz MDOMQIZEZYIFRA-OKILXGFUSA-N 1 1 380.470 -0.009 20 0 GBADMO CS(=O)(=O)N1CC(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001644317735 1071370799 /nfs/dbraw/zinc/37/07/99/1071370799.db2.gz PQDISTOVZGBAAC-UHFFFAOYSA-N 1 1 388.515 -0.653 20 0 GBADMO COC(=O)Cn1cc(CC[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)nn1 ZINC001644326172 1071372071 /nfs/dbraw/zinc/37/20/71/1071372071.db2.gz MOURKLVUXUZKLB-UHFFFAOYSA-N 1 1 378.477 -0.201 20 0 GBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)C1=O ZINC001644359715 1071373333 /nfs/dbraw/zinc/37/33/33/1071373333.db2.gz HEBWWDKBEFVVDE-AUUYWEPGSA-N 1 1 387.440 -0.011 20 0 GBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)C1=O ZINC001644359716 1071373099 /nfs/dbraw/zinc/37/30/99/1071373099.db2.gz HEBWWDKBEFVVDE-IFXJQAMLSA-N 1 1 387.440 -0.011 20 0 GBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)C1=O ZINC001644359717 1071373192 /nfs/dbraw/zinc/37/31/92/1071373192.db2.gz HEBWWDKBEFVVDE-KUHUBIRLSA-N 1 1 387.440 -0.011 20 0 GBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)C1=O ZINC001644359718 1071373640 /nfs/dbraw/zinc/37/36/40/1071373640.db2.gz HEBWWDKBEFVVDE-LIRRHRJNSA-N 1 1 387.440 -0.011 20 0 GBADMO Cn1nccc1C1(O)CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001644370381 1071373026 /nfs/dbraw/zinc/37/30/26/1071373026.db2.gz LULQZABDAPSFLJ-UHFFFAOYSA-N 1 1 375.473 -0.216 20 0 GBADMO C[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CCS(N)(=O)=O ZINC001644378025 1071374507 /nfs/dbraw/zinc/37/45/07/1071374507.db2.gz PAXIZUTYOXWGAP-UHFFFAOYSA-N 1 1 378.495 -0.324 20 0 GBADMO CONC(=O)C1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001644408025 1071374006 /nfs/dbraw/zinc/37/40/06/1071374006.db2.gz WANMTBMUWCSIKU-UHFFFAOYSA-N 1 1 378.429 -0.444 20 0 GBADMO CN1C(=O)CO[C@H](C(=O)NCC[N@@H+](C)CCOCCO)[C@H]1c1cccnc1 ZINC001644412333 1071374466 /nfs/dbraw/zinc/37/44/66/1071374466.db2.gz LALCDYXMZALVGA-SJORKVTESA-N 1 1 380.445 -0.963 20 0 GBADMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001644419917 1071376441 /nfs/dbraw/zinc/37/64/41/1071376441.db2.gz COQGMKROWITDFB-CYBMUJFWSA-N 1 1 382.486 -0.005 20 0 GBADMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001644419918 1071375553 /nfs/dbraw/zinc/37/55/53/1071375553.db2.gz COQGMKROWITDFB-ZDUSSCGKSA-N 1 1 382.486 -0.005 20 0 GBADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644421656 1071375719 /nfs/dbraw/zinc/37/57/19/1071375719.db2.gz MLEXKHNUXRSVKC-AWEZNQCLSA-N 1 1 398.485 -0.962 20 0 GBADMO CS(=O)(=O)NC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644421656 1071375703 /nfs/dbraw/zinc/37/57/03/1071375703.db2.gz MLEXKHNUXRSVKC-AWEZNQCLSA-N 1 1 398.485 -0.962 20 0 GBADMO CS(=O)(=O)NC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644421657 1071375944 /nfs/dbraw/zinc/37/59/44/1071375944.db2.gz MLEXKHNUXRSVKC-CQSZACIVSA-N 1 1 398.485 -0.962 20 0 GBADMO CS(=O)(=O)NC[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644421657 1071375931 /nfs/dbraw/zinc/37/59/31/1071375931.db2.gz MLEXKHNUXRSVKC-CQSZACIVSA-N 1 1 398.485 -0.962 20 0 GBADMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644422114 1071375887 /nfs/dbraw/zinc/37/58/87/1071375887.db2.gz TUZITVLJDYPHSD-ACLQVGRQSA-N 1 1 391.515 -0.163 20 0 GBADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644422115 1071376396 /nfs/dbraw/zinc/37/63/96/1071376396.db2.gz TUZITVLJDYPHSD-QENILXLESA-N 1 1 391.515 -0.163 20 0 GBADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644422116 1071375281 /nfs/dbraw/zinc/37/52/81/1071375281.db2.gz TUZITVLJDYPHSD-UGMNDJHYSA-N 1 1 391.515 -0.163 20 0 GBADMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644422117 1071375009 /nfs/dbraw/zinc/37/50/09/1071375009.db2.gz TUZITVLJDYPHSD-ZBQKXELDSA-N 1 1 391.515 -0.163 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC001644431946 1071375614 /nfs/dbraw/zinc/37/56/14/1071375614.db2.gz LZIPKMKNOKSMOF-UHFFFAOYSA-N 1 1 385.486 -0.941 20 0 GBADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1)C(=O)N(C)C ZINC001644432226 1071375094 /nfs/dbraw/zinc/37/50/94/1071375094.db2.gz QCEREDLIDILZGQ-FZKCQIBNSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1)C(=O)N(C)C ZINC001644432226 1071375076 /nfs/dbraw/zinc/37/50/76/1071375076.db2.gz QCEREDLIDILZGQ-FZKCQIBNSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1)C(=O)N(C)C ZINC001644432227 1071376167 /nfs/dbraw/zinc/37/61/67/1071376167.db2.gz QCEREDLIDILZGQ-JJXSEGSLSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1)C(=O)N(C)C ZINC001644432227 1071376152 /nfs/dbraw/zinc/37/61/52/1071376152.db2.gz QCEREDLIDILZGQ-JJXSEGSLSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1)C(=O)N(C)C ZINC001644432228 1071375851 /nfs/dbraw/zinc/37/58/51/1071375851.db2.gz QCEREDLIDILZGQ-XUWVNRHRSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1)C(=O)N(C)C ZINC001644432228 1071375839 /nfs/dbraw/zinc/37/58/39/1071375839.db2.gz QCEREDLIDILZGQ-XUWVNRHRSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1)C(=O)N(C)C ZINC001644432229 1071376282 /nfs/dbraw/zinc/37/62/82/1071376282.db2.gz QCEREDLIDILZGQ-ZJIFWQFVSA-N 1 1 382.505 -0.289 20 0 GBADMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1)C(=O)N(C)C ZINC001644432229 1071376265 /nfs/dbraw/zinc/37/62/65/1071376265.db2.gz QCEREDLIDILZGQ-ZJIFWQFVSA-N 1 1 382.505 -0.289 20 0 GBADMO COC(=O)N[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001644457329 1071376937 /nfs/dbraw/zinc/37/69/37/1071376937.db2.gz UVUXXIZRKVIFRD-AWEZNQCLSA-N 1 1 398.485 -0.187 20 0 GBADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001644467453 1071377402 /nfs/dbraw/zinc/37/74/02/1071377402.db2.gz XOBAPRZFZQFGOE-GFCCVEGCSA-N 1 1 381.433 -0.577 20 0 GBADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001644467454 1071377504 /nfs/dbraw/zinc/37/75/04/1071377504.db2.gz XOBAPRZFZQFGOE-LBPRGKRZSA-N 1 1 381.433 -0.577 20 0 GBADMO Cc1cn2nnc(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2c(=O)[nH]1 ZINC001644471334 1071377340 /nfs/dbraw/zinc/37/73/40/1071377340.db2.gz PSCHYXQXKARKIA-AWEZNQCLSA-N 1 1 389.460 -0.335 20 0 GBADMO Cc1cn2nnc(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2c(=O)[nH]1 ZINC001644471335 1071378069 /nfs/dbraw/zinc/37/80/69/1071378069.db2.gz PSCHYXQXKARKIA-CQSZACIVSA-N 1 1 389.460 -0.335 20 0 GBADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)cn1 ZINC001644485933 1071378116 /nfs/dbraw/zinc/37/81/16/1071378116.db2.gz MDRYFIMQVDKEFN-HALDLXJZSA-N 1 1 394.501 -0.054 20 0 GBADMO Cn1cc(S(=O)(=O)NCC[N@H+]2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)cn1 ZINC001644485933 1071378106 /nfs/dbraw/zinc/37/81/06/1071378106.db2.gz MDRYFIMQVDKEFN-HALDLXJZSA-N 1 1 394.501 -0.054 20 0 GBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001644490404 1071378386 /nfs/dbraw/zinc/37/83/86/1071378386.db2.gz NPGXHSDHBOVEOD-HNNXBMFYSA-N 1 1 387.440 -0.960 20 0 GBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001644490406 1071378147 /nfs/dbraw/zinc/37/81/47/1071378147.db2.gz NPGXHSDHBOVEOD-OAHLLOKOSA-N 1 1 387.440 -0.960 20 0 GBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCS(N)(=O)=O)CC1 ZINC001644493656 1071378019 /nfs/dbraw/zinc/37/80/19/1071378019.db2.gz BZUUTUPWCILGQW-INIZCTEOSA-N 1 1 396.513 -0.443 20 0 GBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCS(N)(=O)=O)CC1 ZINC001644493657 1071378493 /nfs/dbraw/zinc/37/84/93/1071378493.db2.gz BZUUTUPWCILGQW-MRXNPFEDSA-N 1 1 396.513 -0.443 20 0 GBADMO Cn1cc([C@H](O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cn1 ZINC001644493682 1071378543 /nfs/dbraw/zinc/37/85/43/1071378543.db2.gz CPFZYWUBIPKRFS-MSOLQXFVSA-N 1 1 385.468 -0.045 20 0 GBADMO Cn1cc([C@@H](O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cn1 ZINC001644493683 1071377811 /nfs/dbraw/zinc/37/78/11/1071377811.db2.gz CPFZYWUBIPKRFS-QZTJIDSGSA-N 1 1 385.468 -0.045 20 0 GBADMO Cn1cc([C@H](O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cn1 ZINC001644493684 1071378315 /nfs/dbraw/zinc/37/83/15/1071378315.db2.gz CPFZYWUBIPKRFS-ROUUACIJSA-N 1 1 385.468 -0.045 20 0 GBADMO Cn1cc([C@@H](O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cn1 ZINC001644493685 1071378416 /nfs/dbraw/zinc/37/84/16/1071378416.db2.gz CPFZYWUBIPKRFS-ZWKOTPCHSA-N 1 1 385.468 -0.045 20 0 GBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN2CCCNC2=O)CC1 ZINC001644493825 1071379803 /nfs/dbraw/zinc/37/98/03/1071379803.db2.gz GWXSSFDCPASJTC-KRWDZBQOSA-N 1 1 387.484 -0.097 20 0 GBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCCNC2=O)CC1 ZINC001644493826 1071379563 /nfs/dbraw/zinc/37/95/63/1071379563.db2.gz GWXSSFDCPASJTC-QGZVFWFLSA-N 1 1 387.484 -0.097 20 0 GBADMO CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001644495092 1071379531 /nfs/dbraw/zinc/37/95/31/1071379531.db2.gz XIEGOWITEIQSHV-HNNXBMFYSA-N 1 1 382.486 -0.963 20 0 GBADMO CNS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001644495093 1071379617 /nfs/dbraw/zinc/37/96/17/1071379617.db2.gz XIEGOWITEIQSHV-OAHLLOKOSA-N 1 1 382.486 -0.963 20 0 GBADMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001644507555 1071379341 /nfs/dbraw/zinc/37/93/41/1071379341.db2.gz TZXLMRDKOWDHEY-CRAIPNDOSA-N 1 1 399.513 -0.381 20 0 GBADMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001644507556 1071379072 /nfs/dbraw/zinc/37/90/72/1071379072.db2.gz TZXLMRDKOWDHEY-MAUKXSAKSA-N 1 1 399.513 -0.381 20 0 GBADMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001644507557 1071378986 /nfs/dbraw/zinc/37/89/86/1071378986.db2.gz TZXLMRDKOWDHEY-QAPCUYQASA-N 1 1 399.513 -0.381 20 0 GBADMO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001644507558 1071379582 /nfs/dbraw/zinc/37/95/82/1071379582.db2.gz TZXLMRDKOWDHEY-YJBOKZPZSA-N 1 1 399.513 -0.381 20 0 GBADMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC001644518399 1071380416 /nfs/dbraw/zinc/38/04/16/1071380416.db2.gz GZZLGAAXAICTBO-UHFFFAOYSA-N 1 1 382.505 -0.116 20 0 GBADMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC001644518399 1071380406 /nfs/dbraw/zinc/38/04/06/1071380406.db2.gz GZZLGAAXAICTBO-UHFFFAOYSA-N 1 1 382.505 -0.116 20 0 GBADMO CNC(=O)C1([NH2+]CC(=O)Nc2cc(-n3nnnc3C)ccc2F)CCOCC1 ZINC001644528151 1071380438 /nfs/dbraw/zinc/38/04/38/1071380438.db2.gz AKUXAXRQSHOHLE-UHFFFAOYSA-N 1 1 391.407 -0.067 20 0 GBADMO CNC(=O)C1([NH2+]CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CCOCC1 ZINC001644528946 1071380215 /nfs/dbraw/zinc/38/02/15/1071380215.db2.gz OFXHOGMNBGFYPK-UHFFFAOYSA-N 1 1 392.456 -0.023 20 0 GBADMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001644533611 1071380802 /nfs/dbraw/zinc/38/08/02/1071380802.db2.gz YPJIQUYXTVWUEW-DZGCQCFKSA-N 1 1 396.513 -0.031 20 0 GBADMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001644533612 1071380918 /nfs/dbraw/zinc/38/09/18/1071380918.db2.gz YPJIQUYXTVWUEW-HIFRSBDPSA-N 1 1 396.513 -0.031 20 0 GBADMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001644533613 1071380464 /nfs/dbraw/zinc/38/04/64/1071380464.db2.gz YPJIQUYXTVWUEW-UKRRQHHQSA-N 1 1 396.513 -0.031 20 0 GBADMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001644533614 1071380866 /nfs/dbraw/zinc/38/08/66/1071380866.db2.gz YPJIQUYXTVWUEW-ZFWWWQNUSA-N 1 1 396.513 -0.031 20 0 GBADMO C[NH+]1CC(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)CC2)C1 ZINC001644541389 1071381833 /nfs/dbraw/zinc/38/18/33/1071381833.db2.gz ARMBLFFIQMGDEV-UHFFFAOYSA-N 1 1 387.444 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CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCCN(CC(=O)NC)CC2)CC1 ZINC001644582289 1071382718 /nfs/dbraw/zinc/38/27/18/1071382718.db2.gz AILXYKYCAOPPPQ-HNNXBMFYSA-N 1 1 383.493 -0.571 20 0 GBADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(CC(=O)NC)CC2)CC1 ZINC001644582289 1071382710 /nfs/dbraw/zinc/38/27/10/1071382710.db2.gz AILXYKYCAOPPPQ-HNNXBMFYSA-N 1 1 383.493 -0.571 20 0 GBADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(CC(=O)NC)CC2)CC1 ZINC001644582290 1071382614 /nfs/dbraw/zinc/38/26/14/1071382614.db2.gz AILXYKYCAOPPPQ-OAHLLOKOSA-N 1 1 383.493 -0.571 20 0 GBADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(CC(=O)NC)CC2)CC1 ZINC001644582290 1071382610 /nfs/dbraw/zinc/38/26/10/1071382610.db2.gz AILXYKYCAOPPPQ-OAHLLOKOSA-N 1 1 383.493 -0.571 20 0 GBADMO COCC[N@@H+](CCC(=O)OC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001644584909 1071382653 /nfs/dbraw/zinc/38/26/53/1071382653.db2.gz TUDUOJUJHVULIJ-UHFFFAOYSA-N 1 1 379.479 -0.962 20 0 GBADMO COCC[N@H+](CCC(=O)OC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001644584909 1071382647 /nfs/dbraw/zinc/38/26/47/1071382647.db2.gz TUDUOJUJHVULIJ-UHFFFAOYSA-N 1 1 379.479 -0.962 20 0 GBADMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001644585259 1071382763 /nfs/dbraw/zinc/38/27/63/1071382763.db2.gz YWKYZJNDJHEOGV-GFCCVEGCSA-N 1 1 385.552 -0.531 20 0 GBADMO C[N@H+](CCNS(C)(=O)=O)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001644585259 1071382755 /nfs/dbraw/zinc/38/27/55/1071382755.db2.gz YWKYZJNDJHEOGV-GFCCVEGCSA-N 1 1 385.552 -0.531 20 0 GBADMO C[N@@H+](CCNS(C)(=O)=O)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001644585260 1071382489 /nfs/dbraw/zinc/38/24/89/1071382489.db2.gz YWKYZJNDJHEOGV-LBPRGKRZSA-N 1 1 385.552 -0.531 20 0 GBADMO C[N@H+](CCNS(C)(=O)=O)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001644585260 1071382479 /nfs/dbraw/zinc/38/24/79/1071382479.db2.gz YWKYZJNDJHEOGV-LBPRGKRZSA-N 1 1 385.552 -0.531 20 0 GBADMO NC(=O)CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC001644585573 1071382562 /nfs/dbraw/zinc/38/25/62/1071382562.db2.gz 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ZTJBGPXMGWLQGU-OLZOCXBDSA-N 1 1 397.563 -0.389 20 0 GBADMO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC001644593177 1071383974 /nfs/dbraw/zinc/38/39/74/1071383974.db2.gz ZTJBGPXMGWLQGU-QWHCGFSZSA-N 1 1 397.563 -0.389 20 0 GBADMO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC001644593177 1071383967 /nfs/dbraw/zinc/38/39/67/1071383967.db2.gz ZTJBGPXMGWLQGU-QWHCGFSZSA-N 1 1 397.563 -0.389 20 0 GBADMO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC001644593178 1071384030 /nfs/dbraw/zinc/38/40/30/1071384030.db2.gz ZTJBGPXMGWLQGU-STQMWFEESA-N 1 1 397.563 -0.389 20 0 GBADMO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC001644593178 1071384023 /nfs/dbraw/zinc/38/40/23/1071384023.db2.gz ZTJBGPXMGWLQGU-STQMWFEESA-N 1 1 397.563 -0.389 20 0 GBADMO C[C@@H](C(=O)N(C)CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)n1cccn1 ZINC001644620182 1071385293 /nfs/dbraw/zinc/38/52/93/1071385293.db2.gz DDDIALOMRKQZDJ-HNNXBMFYSA-N 1 1 378.477 -0.475 20 0 GBADMO C[C@@H](C(=O)N(C)CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)n1cccn1 ZINC001644620182 1071385282 /nfs/dbraw/zinc/38/52/82/1071385282.db2.gz DDDIALOMRKQZDJ-HNNXBMFYSA-N 1 1 378.477 -0.475 20 0 GBADMO C[C@H](C(=O)N(C)CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)n1cccn1 ZINC001644620183 1071385467 /nfs/dbraw/zinc/38/54/67/1071385467.db2.gz DDDIALOMRKQZDJ-OAHLLOKOSA-N 1 1 378.477 -0.475 20 0 GBADMO C[C@H](C(=O)N(C)CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)n1cccn1 ZINC001644620183 1071385456 /nfs/dbraw/zinc/38/54/56/1071385456.db2.gz DDDIALOMRKQZDJ-OAHLLOKOSA-N 1 1 378.477 -0.475 20 0 GBADMO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H]2C(=O)NCC23CCOCC3)n1 ZINC001644665380 1071388388 /nfs/dbraw/zinc/38/83/88/1071388388.db2.gz HMYCFOWLIICRBN-CYBMUJFWSA-N 1 1 382.442 -0.318 20 0 GBADMO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2C(=O)NCC23CCOCC3)n1 ZINC001644665381 1071388190 /nfs/dbraw/zinc/38/81/90/1071388190.db2.gz HMYCFOWLIICRBN-ZDUSSCGKSA-N 1 1 382.442 -0.318 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(=O)n(C)c1=O ZINC001644665918 1071387944 /nfs/dbraw/zinc/38/79/44/1071387944.db2.gz RLCHKWNNHDGTBB-CYBMUJFWSA-N 1 1 393.488 -0.232 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(=O)n(C)c1=O ZINC001644665918 1071387933 /nfs/dbraw/zinc/38/79/33/1071387933.db2.gz RLCHKWNNHDGTBB-CYBMUJFWSA-N 1 1 393.488 -0.232 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c(=O)n(C)c1=O ZINC001644665919 1071387396 /nfs/dbraw/zinc/38/73/96/1071387396.db2.gz RLCHKWNNHDGTBB-ZDUSSCGKSA-N 1 1 393.488 -0.232 20 0 GBADMO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c(=O)n(C)c1=O ZINC001644665919 1071387385 /nfs/dbraw/zinc/38/73/85/1071387385.db2.gz RLCHKWNNHDGTBB-ZDUSSCGKSA-N 1 1 393.488 -0.232 20 0 GBADMO COCCc1ccc(OC[C@@H](O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676594 1071387641 /nfs/dbraw/zinc/38/76/41/1071387641.db2.gz GHOQQVIMISTIOM-AZUAARDMSA-N 1 1 380.485 -0.006 20 0 GBADMO COCCc1ccc(OC[C@@H](O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676595 1071388262 /nfs/dbraw/zinc/38/82/62/1071388262.db2.gz GHOQQVIMISTIOM-ICSRJNTNSA-N 1 1 380.485 -0.006 20 0 GBADMO COCCc1ccc(OC[C@H](O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676596 1071388001 /nfs/dbraw/zinc/38/80/01/1071388001.db2.gz GHOQQVIMISTIOM-QUCCMNQESA-N 1 1 380.485 -0.006 20 0 GBADMO COCCc1ccc(OC[C@H](O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676597 1071387434 /nfs/dbraw/zinc/38/74/34/1071387434.db2.gz GHOQQVIMISTIOM-UYAOXDASSA-N 1 1 380.485 -0.006 20 0 GBADMO O=C1c2ccccc2C(=O)N1CCOCC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001644677095 1071387812 /nfs/dbraw/zinc/38/78/12/1071387812.db2.gz XPTZRNFYUXMYEY-FQEVSTJZSA-N 1 1 389.452 -0.322 20 0 GBADMO O=C1c2ccccc2C(=O)N1CCOCC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001644677096 1071387272 /nfs/dbraw/zinc/38/72/72/1071387272.db2.gz XPTZRNFYUXMYEY-HXUWFJFHSA-N 1 1 389.452 -0.322 20 0 GBADMO O=C(NCCc1nnc2c(=O)[nH]ccn12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001644701145 1071389144 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/nfs/dbraw/zinc/41/18/33/1071411833.db2.gz HQFBCJDCNYYWAJ-HZPDHXFCSA-N 1 1 395.504 -0.380 20 0 GBADMO CNC(=O)N[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001645203868 1071411818 /nfs/dbraw/zinc/41/18/18/1071411818.db2.gz HQFBCJDCNYYWAJ-JKSUJKDBSA-N 1 1 395.504 -0.380 20 0 GBADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CC4(C3)C[C@@H](O)CNC4=O)s2)CC1 ZINC001645230239 1071412794 /nfs/dbraw/zinc/41/27/94/1071412794.db2.gz ZLRAAIYRYNTFAV-CYBMUJFWSA-N 1 1 378.498 -0.182 20 0 GBADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CC4(C3)C[C@H](O)CNC4=O)s2)CC1 ZINC001645230240 1071412550 /nfs/dbraw/zinc/41/25/50/1071412550.db2.gz ZLRAAIYRYNTFAV-ZDUSSCGKSA-N 1 1 378.498 -0.182 20 0 GBADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)s2)CC1 ZINC001645249818 1071413541 /nfs/dbraw/zinc/41/35/41/1071413541.db2.gz HHWNEXVULXMXOU-CYBMUJFWSA-N 1 1 399.542 -0.530 20 0 GBADMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)s2)CC1 ZINC001645249819 1071413694 /nfs/dbraw/zinc/41/36/94/1071413694.db2.gz HHWNEXVULXMXOU-ZDUSSCGKSA-N 1 1 399.542 -0.530 20 0 GBADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC001645256139 1071414368 /nfs/dbraw/zinc/41/43/68/1071414368.db2.gz NCNUTPMUQPCWSC-GASCZTMLSA-N 1 1 376.457 -0.440 20 0 GBADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC001645256139 1071414365 /nfs/dbraw/zinc/41/43/65/1071414365.db2.gz NCNUTPMUQPCWSC-GASCZTMLSA-N 1 1 376.457 -0.440 20 0 GBADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001645256178 1071414477 /nfs/dbraw/zinc/41/44/77/1071414477.db2.gz OXTKRYDUMUAUSX-AWEZNQCLSA-N 1 1 386.493 -0.115 20 0 GBADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001645256178 1071414473 /nfs/dbraw/zinc/41/44/73/1071414473.db2.gz OXTKRYDUMUAUSX-AWEZNQCLSA-N 1 1 386.493 -0.115 20 0 GBADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001645256179 1071414444 /nfs/dbraw/zinc/41/44/44/1071414444.db2.gz OXTKRYDUMUAUSX-CQSZACIVSA-N 1 1 386.493 -0.115 20 0 GBADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001645256179 1071414441 /nfs/dbraw/zinc/41/44/41/1071414441.db2.gz OXTKRYDUMUAUSX-CQSZACIVSA-N 1 1 386.493 -0.115 20 0 GBADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC001645256284 1071414342 /nfs/dbraw/zinc/41/43/42/1071414342.db2.gz SUEQVSFWDCSYSF-UHFFFAOYSA-N 1 1 397.501 -0.830 20 0 GBADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC001645256284 1071414341 /nfs/dbraw/zinc/41/43/41/1071414341.db2.gz SUEQVSFWDCSYSF-UHFFFAOYSA-N 1 1 397.501 -0.830 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001645308244 1071416840 /nfs/dbraw/zinc/41/68/40/1071416840.db2.gz QKTZURVELMQBDO-KBPBESRZSA-N 1 1 377.445 -0.602 20 0 GBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001645308245 1071416722 /nfs/dbraw/zinc/41/67/22/1071416722.db2.gz QKTZURVELMQBDO-KGLIPLIRSA-N 1 1 377.445 -0.602 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001645308246 1071416698 /nfs/dbraw/zinc/41/66/98/1071416698.db2.gz QKTZURVELMQBDO-UONOGXRCSA-N 1 1 377.445 -0.602 20 0 GBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001645308247 1071416359 /nfs/dbraw/zinc/41/63/59/1071416359.db2.gz QKTZURVELMQBDO-ZIAGYGMSSA-N 1 1 377.445 -0.602 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)CC1 ZINC001645328858 1071416804 /nfs/dbraw/zinc/41/68/04/1071416804.db2.gz WJQJRZHEPNQNHE-INIZCTEOSA-N 1 1 399.517 -0.305 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)CC1 ZINC001645328859 1071416467 /nfs/dbraw/zinc/41/64/67/1071416467.db2.gz WJQJRZHEPNQNHE-MRXNPFEDSA-N 1 1 399.517 -0.305 20 0 GBADMO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001645338649 1071417452 /nfs/dbraw/zinc/41/74/52/1071417452.db2.gz UWSMPTCIJSDXBA-CYBMUJFWSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001645338649 1071417448 /nfs/dbraw/zinc/41/74/48/1071417448.db2.gz UWSMPTCIJSDXBA-CYBMUJFWSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001645338650 1071417743 /nfs/dbraw/zinc/41/77/43/1071417743.db2.gz UWSMPTCIJSDXBA-ZDUSSCGKSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001645338650 1071417737 /nfs/dbraw/zinc/41/77/37/1071417737.db2.gz UWSMPTCIJSDXBA-ZDUSSCGKSA-N 1 1 382.486 -0.455 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cn1C ZINC001645374529 1071419648 /nfs/dbraw/zinc/41/96/48/1071419648.db2.gz AISCVXBWEIOOGI-HNNXBMFYSA-N 1 1 399.517 -0.234 20 0 GBADMO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cn1C ZINC001645374530 1071419732 /nfs/dbraw/zinc/41/97/32/1071419732.db2.gz AISCVXBWEIOOGI-OAHLLOKOSA-N 1 1 399.517 -0.234 20 0 GBADMO C[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1CCO ZINC001645379708 1071419719 /nfs/dbraw/zinc/41/97/19/1071419719.db2.gz DDMXJVOLGPXFFN-CYBMUJFWSA-N 1 1 382.486 -0.779 20 0 GBADMO C[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1CCO ZINC001645379708 1071419717 /nfs/dbraw/zinc/41/97/17/1071419717.db2.gz DDMXJVOLGPXFFN-CYBMUJFWSA-N 1 1 382.486 -0.779 20 0 GBADMO C[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1CCO ZINC001645379709 1071419518 /nfs/dbraw/zinc/41/95/18/1071419518.db2.gz DDMXJVOLGPXFFN-ZDUSSCGKSA-N 1 1 382.486 -0.779 20 0 GBADMO C[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1CCO ZINC001645379709 1071419515 /nfs/dbraw/zinc/41/95/15/1071419515.db2.gz DDMXJVOLGPXFFN-ZDUSSCGKSA-N 1 1 382.486 -0.779 20 0 GBADMO Cn1ccnc1C[NH+]1CCC(C(=O)NCCc2nnc3n2CCNC3=O)CC1 ZINC001645382031 1071420794 /nfs/dbraw/zinc/42/07/94/1071420794.db2.gz KXDCNIIYNFRVJA-UHFFFAOYSA-N 1 1 386.460 -0.674 20 0 GBADMO O=C(NCCc1nnc2n1CCNC2=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001645382295 1071420825 /nfs/dbraw/zinc/42/08/25/1071420825.db2.gz SQYXNFPDYQEJAI-FQEVSTJZSA-N 1 1 398.467 -0.293 20 0 GBADMO O=C(NCCc1nnc2n1CCNC2=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001645382296 1071420682 /nfs/dbraw/zinc/42/06/82/1071420682.db2.gz SQYXNFPDYQEJAI-HXUWFJFHSA-N 1 1 398.467 -0.293 20 0 GBADMO COCCN1C(=O)c2ccc(C(=O)NCC[N@@H+](C)CCO)cc2S1(=O)=O ZINC001645402223 1071421831 /nfs/dbraw/zinc/42/18/31/1071421831.db2.gz AKKWFXQAIZBHCX-UHFFFAOYSA-N 1 1 385.442 -0.869 20 0 GBADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+](C)CCO)C1 ZINC001645402483 1071421614 /nfs/dbraw/zinc/42/16/14/1071421614.db2.gz IJQPZLGIGNPVJK-AWEZNQCLSA-N 1 1 387.506 -0.532 20 0 GBADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)CCO)C1 ZINC001645402484 1071421932 /nfs/dbraw/zinc/42/19/32/1071421932.db2.gz IJQPZLGIGNPVJK-CQSZACIVSA-N 1 1 387.506 -0.532 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001645402594 1071421694 /nfs/dbraw/zinc/42/16/94/1071421694.db2.gz NMGBDXXKIPYEFW-AWEZNQCLSA-N 1 1 386.493 -0.068 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001645402595 1071421738 /nfs/dbraw/zinc/42/17/38/1071421738.db2.gz NMGBDXXKIPYEFW-CQSZACIVSA-N 1 1 386.493 -0.068 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC001645402642 1071422120 /nfs/dbraw/zinc/42/21/20/1071422120.db2.gz PPOAYXFHDIEATK-UHFFFAOYSA-N 1 1 380.264 -0.250 20 0 GBADMO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)CCO)cc1 ZINC001645402676 1071421464 /nfs/dbraw/zinc/42/14/64/1071421464.db2.gz QRROHGRQSLQRKZ-UHFFFAOYSA-N 1 1 386.474 -0.694 20 0 GBADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC001645402702 1071421952 /nfs/dbraw/zinc/42/19/52/1071421952.db2.gz RRPJBBCHARPZOC-UHFFFAOYSA-N 1 1 387.506 -0.532 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001645402717 1071421861 /nfs/dbraw/zinc/42/18/61/1071421861.db2.gz SBWXYXGJLQUHPG-LBPRGKRZSA-N 1 1 381.495 -0.645 20 0 GBADMO C[N@H+](CCO)CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001645402717 1071421860 /nfs/dbraw/zinc/42/18/60/1071421860.db2.gz SBWXYXGJLQUHPG-LBPRGKRZSA-N 1 1 381.495 -0.645 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001645402792 1071421796 /nfs/dbraw/zinc/42/17/96/1071421796.db2.gz XGHOROSOYMEKIG-CYBMUJFWSA-N 1 1 379.866 -0.981 20 0 GBADMO C[N@@H+](CCO)CCNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001645402793 1071421810 /nfs/dbraw/zinc/42/18/10/1071421810.db2.gz XGHOROSOYMEKIG-ZDUSSCGKSA-N 1 1 379.866 -0.981 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001645411390 1071421546 /nfs/dbraw/zinc/42/15/46/1071421546.db2.gz QMTDDNWUBGTTBC-KBPBESRZSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC001645411390 1071421538 /nfs/dbraw/zinc/42/15/38/1071421538.db2.gz QMTDDNWUBGTTBC-KBPBESRZSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001645411391 1071421651 /nfs/dbraw/zinc/42/16/51/1071421651.db2.gz QMTDDNWUBGTTBC-KGLIPLIRSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC001645411391 1071421644 /nfs/dbraw/zinc/42/16/44/1071421644.db2.gz QMTDDNWUBGTTBC-KGLIPLIRSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC001645411392 1071421880 /nfs/dbraw/zinc/42/18/80/1071421880.db2.gz QMTDDNWUBGTTBC-UONOGXRCSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC001645411392 1071421876 /nfs/dbraw/zinc/42/18/76/1071421876.db2.gz QMTDDNWUBGTTBC-UONOGXRCSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC001645411393 1071422058 /nfs/dbraw/zinc/42/20/58/1071422058.db2.gz QMTDDNWUBGTTBC-ZIAGYGMSSA-N 1 1 398.510 -0.032 20 0 GBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC001645411393 1071422048 /nfs/dbraw/zinc/42/20/48/1071422048.db2.gz QMTDDNWUBGTTBC-ZIAGYGMSSA-N 1 1 398.510 -0.032 20 0 GBADMO NC(=O)c1cn(CCC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(=O)[nH]c1=O ZINC001645537276 1071425082 /nfs/dbraw/zinc/42/50/82/1071425082.db2.gz SNNDIRHQXGRCOR-CYBMUJFWSA-N 1 1 377.445 -0.039 20 0 GBADMO NC(=O)c1cn(CCC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c(=O)[nH]c1=O ZINC001645537277 1071424869 /nfs/dbraw/zinc/42/48/69/1071424869.db2.gz SNNDIRHQXGRCOR-ZDUSSCGKSA-N 1 1 377.445 -0.039 20 0 GBADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001645594577 1071427104 /nfs/dbraw/zinc/42/71/04/1071427104.db2.gz UUNFOZHZZCGRCE-HNNXBMFYSA-N 1 1 388.534 -0.283 20 0 GBADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001645594577 1071427097 /nfs/dbraw/zinc/42/70/97/1071427097.db2.gz UUNFOZHZZCGRCE-HNNXBMFYSA-N 1 1 388.534 -0.283 20 0 GBADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001645594584 1071427167 /nfs/dbraw/zinc/42/71/67/1071427167.db2.gz UUNFOZHZZCGRCE-OAHLLOKOSA-N 1 1 388.534 -0.283 20 0 GBADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001645594584 1071427161 /nfs/dbraw/zinc/42/71/61/1071427161.db2.gz UUNFOZHZZCGRCE-OAHLLOKOSA-N 1 1 388.534 -0.283 20 0 GBADMO C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001645629470 1071428240 /nfs/dbraw/zinc/42/82/40/1071428240.db2.gz VQXZAGJPHWPHNY-GFCCVEGCSA-N 1 1 389.499 -0.421 20 0 GBADMO C[C@@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H](C)[N@@H+]1CCO ZINC001645688912 1071429116 /nfs/dbraw/zinc/42/91/16/1071429116.db2.gz SJMYIDIYZJHALH-GASCZTMLSA-N 1 1 378.473 -0.446 20 0 GBADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001645689318 1071429371 /nfs/dbraw/zinc/42/93/71/1071429371.db2.gz VFWGISOFZWHZFO-OKILXGFUSA-N 1 1 384.502 -0.032 20 0 GBADMO Cn1ncc2c1nc(CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[nH]c2=O ZINC001645729750 1071430631 /nfs/dbraw/zinc/43/06/31/1071430631.db2.gz ZQTSIZWVRFJYBZ-LBPRGKRZSA-N 1 1 375.433 -0.543 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 ZINC001645733408 1071430536 /nfs/dbraw/zinc/43/05/36/1071430536.db2.gz NRICWNYBULZYHQ-CVEARBPZSA-N 1 1 392.456 -0.270 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H](CO)NC(=O)OCc1ccccc1 ZINC001645733410 1071430619 /nfs/dbraw/zinc/43/06/19/1071430619.db2.gz NRICWNYBULZYHQ-HOTGVXAUSA-N 1 1 392.456 -0.270 20 0 GBADMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C1 ZINC001645746409 1071431142 /nfs/dbraw/zinc/43/11/42/1071431142.db2.gz CKAOKTZYJVHTBP-AWEZNQCLSA-N 1 1 378.351 -0.026 20 0 GBADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C1 ZINC001645746412 1071431561 /nfs/dbraw/zinc/43/15/61/1071431561.db2.gz CKAOKTZYJVHTBP-CQSZACIVSA-N 1 1 378.351 -0.026 20 0 GBADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001645755845 1071431497 /nfs/dbraw/zinc/43/14/97/1071431497.db2.gz HYXLQWORTKXFSZ-HONMWMINSA-N 1 1 394.453 -0.532 20 0 GBADMO 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HFKBKHCZWMJKON-OAHLLOKOSA-N 1 1 399.517 -0.438 20 0 GBADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC001647902705 1071458629 /nfs/dbraw/zinc/45/86/29/1071458629.db2.gz HFKBKHCZWMJKON-OAHLLOKOSA-N 1 1 399.517 -0.438 20 0 GBADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC1CCN(S(N)(=O)=O)CC1)n2C ZINC001647912629 1071459311 /nfs/dbraw/zinc/45/93/11/1071459311.db2.gz PKTAXZRWASSNDJ-UHFFFAOYSA-N 1 1 381.462 -0.568 20 0 GBADMO COC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001647927275 1071460410 /nfs/dbraw/zinc/46/04/10/1071460410.db2.gz RLPKZCWMPSDZAX-UHFFFAOYSA-N 1 1 384.458 -0.547 20 0 GBADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001647935762 1071460869 /nfs/dbraw/zinc/46/08/69/1071460869.db2.gz QZIGWXMTXISVBQ-UHFFFAOYSA-N 1 1 384.502 -0.209 20 0 GBADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)C1 ZINC001647949625 1071461442 /nfs/dbraw/zinc/46/14/42/1071461442.db2.gz MPQKYFJXPZWQSE-MCIONIFRSA-N 1 1 384.429 -0.318 20 0 GBADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)C1 ZINC001647949626 1071461688 /nfs/dbraw/zinc/46/16/88/1071461688.db2.gz MPQKYFJXPZWQSE-MELADBBJSA-N 1 1 384.429 -0.318 20 0 GBADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)C1 ZINC001647949627 1071461726 /nfs/dbraw/zinc/46/17/26/1071461726.db2.gz MPQKYFJXPZWQSE-MGPQQGTHSA-N 1 1 384.429 -0.318 20 0 GBADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)C1 ZINC001647949628 1071461589 /nfs/dbraw/zinc/46/15/89/1071461589.db2.gz MPQKYFJXPZWQSE-RDBSUJKOSA-N 1 1 384.429 -0.318 20 0 GBADMO CCCCn1c(N)c(N(CC)C(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)c(=O)[nH]c1=O ZINC001647970353 1071462684 /nfs/dbraw/zinc/46/26/84/1071462684.db2.gz DLPOFSTUCQPJDG-CYBMUJFWSA-N 1 1 396.492 -0.708 20 0 GBADMO CCCCn1c(N)c(N(CC)C(=O)CN2CC[N@H+](C)[C@@H](CO)C2)c(=O)[nH]c1=O ZINC001647970353 1071462681 /nfs/dbraw/zinc/46/26/81/1071462681.db2.gz DLPOFSTUCQPJDG-CYBMUJFWSA-N 1 1 396.492 -0.708 20 0 GBADMO CCCCn1c(N)c(N(CC)C(=O)CN2CC[N@@H+](C)[C@H](CO)C2)c(=O)[nH]c1=O ZINC001647970354 1071462745 /nfs/dbraw/zinc/46/27/45/1071462745.db2.gz DLPOFSTUCQPJDG-ZDUSSCGKSA-N 1 1 396.492 -0.708 20 0 GBADMO CCCCn1c(N)c(N(CC)C(=O)CN2CC[N@H+](C)[C@H](CO)C2)c(=O)[nH]c1=O ZINC001647970354 1071462737 /nfs/dbraw/zinc/46/27/37/1071462737.db2.gz DLPOFSTUCQPJDG-ZDUSSCGKSA-N 1 1 396.492 -0.708 20 0 GBADMO COCCn1c(N)c(C(=O)C[N@H+]2CCCCCCNC(=O)CC2)c(=O)[nH]c1=O ZINC001647983703 1071462453 /nfs/dbraw/zinc/46/24/53/1071462453.db2.gz PSTMOWCXJHRURR-UHFFFAOYSA-N 1 1 395.460 -0.258 20 0 GBADMO COCCn1c(N)c(C(=O)C[N@@H+]2CCCCCCNC(=O)CC2)c(=O)[nH]c1=O ZINC001647983703 1071462447 /nfs/dbraw/zinc/46/24/47/1071462447.db2.gz PSTMOWCXJHRURR-UHFFFAOYSA-N 1 1 395.460 -0.258 20 0 GBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001648008419 1071464617 /nfs/dbraw/zinc/46/46/17/1071464617.db2.gz IEZQLCXZHJEGAG-KRWDZBQOSA-N 1 1 393.509 -0.077 20 0 GBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001648008420 1071464567 /nfs/dbraw/zinc/46/45/67/1071464567.db2.gz IEZQLCXZHJEGAG-QGZVFWFLSA-N 1 1 393.509 -0.077 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001648027608 1071465470 /nfs/dbraw/zinc/46/54/70/1071465470.db2.gz GFIKAQKRCRTCHD-UHFFFAOYSA-N 1 1 383.470 -0.267 20 0 GBADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC([NH2+]C3COC3)C2)cc1 ZINC001648027794 1071465588 /nfs/dbraw/zinc/46/55/88/1071465588.db2.gz JEMMOGWWPSYRIC-UHFFFAOYSA-N 1 1 382.442 -0.878 20 0 GBADMO COc1ccc(S(=O)(=O)NCC(=O)N2CC([NH2+]C3COC3)C2)cc1OC ZINC001648027977 1071465341 /nfs/dbraw/zinc/46/53/41/1071465341.db2.gz LKQCVROQMZWJGX-UHFFFAOYSA-N 1 1 385.442 -0.819 20 0 GBADMO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC([NH2+]C3COC3)C2)cc1 ZINC001648028335 1071465291 /nfs/dbraw/zinc/46/52/91/1071465291.db2.gz YFNFHSJTGLIDAQ-UHFFFAOYSA-N 1 1 383.470 -0.047 20 0 GBADMO CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)C1=O ZINC001648029964 1071465187 /nfs/dbraw/zinc/46/51/87/1071465187.db2.gz JQXMWIMANGHXSH-HNNXBMFYSA-N 1 1 396.488 -0.051 20 0 GBADMO CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)C1=O ZINC001648029965 1071465641 /nfs/dbraw/zinc/46/56/41/1071465641.db2.gz JQXMWIMANGHXSH-OAHLLOKOSA-N 1 1 396.488 -0.051 20 0 GBADMO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CC([NH2+]C2COC2)C1 ZINC001648030149 1071465368 /nfs/dbraw/zinc/46/53/68/1071465368.db2.gz NWDXRAHDJWCLJZ-ZBFHGGJFSA-N 1 1 399.444 -0.851 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001648050538 1071466095 /nfs/dbraw/zinc/46/60/95/1071466095.db2.gz AAKLARYYEWRRGQ-HIFRSBDPSA-N 1 1 384.477 -0.099 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001648051019 1071466506 /nfs/dbraw/zinc/46/65/06/1071466506.db2.gz MUEXBGADYXQHIV-CYBMUJFWSA-N 1 1 397.476 -0.112 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001648051020 1071466570 /nfs/dbraw/zinc/46/65/70/1071466570.db2.gz MUEXBGADYXQHIV-ZDUSSCGKSA-N 1 1 397.476 -0.112 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 ZINC001648051165 1071466548 /nfs/dbraw/zinc/46/65/48/1071466548.db2.gz SLPPWNBPAVSSJI-UHFFFAOYSA-N 1 1 398.485 -0.665 20 0 GBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 ZINC001648051551 1071466053 /nfs/dbraw/zinc/46/60/53/1071466053.db2.gz ZBZATUBBPXNTKA-UHFFFAOYSA-N 1 1 398.504 -0.115 20 0 GBADMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@H]2C1=O ZINC001648060935 1071466137 /nfs/dbraw/zinc/46/61/37/1071466137.db2.gz LVIKVYXRXCWEEQ-TXEJJXNPSA-N 1 1 391.428 -0.791 20 0 GBADMO CS(=O)(=O)c1ccc(OCC[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cc1 ZINC001648096117 1071468500 /nfs/dbraw/zinc/46/85/00/1071468500.db2.gz STFTYRQDCCFLGS-UHFFFAOYSA-N 1 1 390.483 -0.509 20 0 GBADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)[C@@H](c2cnn(C)c2)C1 ZINC001648136593 1071470051 /nfs/dbraw/zinc/47/00/51/1071470051.db2.gz ZDBHGGQHBWPUET-HRCADAONSA-N 1 1 386.518 -0.244 20 0 GBADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)[C@H](c2cnn(C)c2)C1 ZINC001648136594 1071470343 /nfs/dbraw/zinc/47/03/43/1071470343.db2.gz ZDBHGGQHBWPUET-JYJNAYRXSA-N 1 1 386.518 -0.244 20 0 GBADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)[C@@H](c2cnn(C)c2)C1 ZINC001648136595 1071470119 /nfs/dbraw/zinc/47/01/19/1071470119.db2.gz ZDBHGGQHBWPUET-OWCLPIDISA-N 1 1 386.518 -0.244 20 0 GBADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)[C@H](c2cnn(C)c2)C1 ZINC001648136596 1071471055 /nfs/dbraw/zinc/47/10/55/1071471055.db2.gz ZDBHGGQHBWPUET-PMPSAXMXSA-N 1 1 386.518 -0.244 20 0 GBADMO O=C(CC[N@H+]1CC[C@@H](c2nn[nH]n2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001648158372 1071471478 /nfs/dbraw/zinc/47/14/78/1071471478.db2.gz MKZUNYWMERMGMN-LLVKDONJSA-N 1 1 376.421 -0.335 20 0 GBADMO O=C(CC[N@H+]1CC[C@H](c2nn[nH]n2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001648158373 1071471621 /nfs/dbraw/zinc/47/16/21/1071471621.db2.gz MKZUNYWMERMGMN-NSHDSACASA-N 1 1 376.421 -0.335 20 0 GBADMO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001648162053 1071471686 /nfs/dbraw/zinc/47/16/86/1071471686.db2.gz MVWASIMNUWMBKJ-IFXJQAMLSA-N 1 1 391.424 -0.513 20 0 GBADMO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001648162459 1071471588 /nfs/dbraw/zinc/47/15/88/1071471588.db2.gz RUEYGSIDMVUIAY-MAUKXSAKSA-N 1 1 397.497 -0.385 20 0 GBADMO COCCOCCc1ncc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)[nH]1 ZINC001648163499 1071471114 /nfs/dbraw/zinc/47/11/14/1071471114.db2.gz DUWVMQGWFIVFFU-KBXCAEBGSA-N 1 1 382.461 -0.429 20 0 GBADMO COCCOCCc1ncc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)[nH]1 ZINC001648163499 1071471109 /nfs/dbraw/zinc/47/11/09/1071471109.db2.gz DUWVMQGWFIVFFU-KBXCAEBGSA-N 1 1 382.461 -0.429 20 0 GBADMO CS(=O)(=O)c1ccc(NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001648163820 1071471079 /nfs/dbraw/zinc/47/10/79/1071471079.db2.gz OLHBXTSLFMILKH-MAUKXSAKSA-N 1 1 397.497 -0.156 20 0 GBADMO CCC1(CC)NC(=O)N(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1=O ZINC001648163910 1071471432 /nfs/dbraw/zinc/47/14/32/1071471432.db2.gz RQWMHPJPIBCTEG-SUMWQHHRSA-N 1 1 382.461 -0.561 20 0 GBADMO O=C(Cc1n[nH]c(C2CCOCC2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001648163929 1071471729 /nfs/dbraw/zinc/47/17/29/1071471729.db2.gz SKHZHNOVOVKALT-KBXCAEBGSA-N 1 1 379.461 -0.417 20 0 GBADMO O=C(Cc1n[nH]c(C2CCOCC2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001648163929 1071471715 /nfs/dbraw/zinc/47/17/15/1071471715.db2.gz SKHZHNOVOVKALT-KBXCAEBGSA-N 1 1 379.461 -0.417 20 0 GBADMO O=C(Cc1nnc(C2CCOCC2)[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001648163929 1071471708 /nfs/dbraw/zinc/47/17/08/1071471708.db2.gz SKHZHNOVOVKALT-KBXCAEBGSA-N 1 1 379.461 -0.417 20 0 GBADMO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001648164039 1071471671 /nfs/dbraw/zinc/47/16/71/1071471671.db2.gz VUPXKEUHOYCKBZ-MAUKXSAKSA-N 1 1 397.497 -0.060 20 0 GBADMO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001648164039 1071471666 /nfs/dbraw/zinc/47/16/66/1071471666.db2.gz VUPXKEUHOYCKBZ-MAUKXSAKSA-N 1 1 397.497 -0.060 20 0 GBADMO CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001648164047 1071471371 /nfs/dbraw/zinc/47/13/71/1071471371.db2.gz WBNVWDDUWPRRSX-KBXCAEBGSA-N 1 1 399.488 -0.300 20 0 GBADMO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ncnc2nc[nH]c21 ZINC001648164182 1071471136 /nfs/dbraw/zinc/47/11/36/1071471136.db2.gz ZXOAQVJNUFMBRU-YVEFUNNKSA-N 1 1 375.433 -0.869 20 0 GBADMO Cc1nc(N2CC[NH+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)n[nH]1 ZINC001648164234 1071471743 /nfs/dbraw/zinc/47/17/43/1071471743.db2.gz BNVXWEWIZSMZMY-UHFFFAOYSA-N 1 1 393.473 -0.089 20 0 GBADMO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001648166849 1071472546 /nfs/dbraw/zinc/47/25/46/1071472546.db2.gz ACUYTVBOTOJBDP-BETUJISGSA-N 1 1 396.469 -0.309 20 0 GBADMO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001648166849 1071472538 /nfs/dbraw/zinc/47/25/38/1071472538.db2.gz ACUYTVBOTOJBDP-BETUJISGSA-N 1 1 396.469 -0.309 20 0 GBADMO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1CC[NH+](CC(N)=O)CC1)=NO2 ZINC001648168095 1071472765 /nfs/dbraw/zinc/47/27/65/1071472765.db2.gz DMNMYMWEQZRQGH-UHFFFAOYSA-N 1 1 395.460 -0.182 20 0 GBADMO NC(=O)C[NH+]1CCC(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 ZINC001648172742 1071472488 /nfs/dbraw/zinc/47/24/88/1071472488.db2.gz KWVDDYQYPWHQJY-UHFFFAOYSA-N 1 1 396.451 -0.106 20 0 GBADMO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001648174392 1071472457 /nfs/dbraw/zinc/47/24/57/1071472457.db2.gz ZBYZIEPGFNFTRC-ACJLOTCBSA-N 1 1 384.477 -0.187 20 0 GBADMO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001648174393 1071472776 /nfs/dbraw/zinc/47/27/76/1071472776.db2.gz ZBYZIEPGFNFTRC-FZKQIMNGSA-N 1 1 384.477 -0.187 20 0 GBADMO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001648174394 1071472471 /nfs/dbraw/zinc/47/24/71/1071472471.db2.gz ZBYZIEPGFNFTRC-SCLBCKFNSA-N 1 1 384.477 -0.187 20 0 GBADMO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001648174395 1071472511 /nfs/dbraw/zinc/47/25/11/1071472511.db2.gz ZBYZIEPGFNFTRC-UGSOOPFHSA-N 1 1 384.477 -0.187 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001648175277 1071472750 /nfs/dbraw/zinc/47/27/50/1071472750.db2.gz OFYVSEKLZOJJQI-DDUYRFODSA-N 1 1 394.497 -0.091 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001648175278 1071472648 /nfs/dbraw/zinc/47/26/48/1071472648.db2.gz OFYVSEKLZOJJQI-DLKVLKDVSA-N 1 1 394.497 -0.091 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001648175279 1071472500 /nfs/dbraw/zinc/47/25/00/1071472500.db2.gz OFYVSEKLZOJJQI-KSZJFAHPSA-N 1 1 394.497 -0.091 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001648175280 1071472480 /nfs/dbraw/zinc/47/24/80/1071472480.db2.gz OFYVSEKLZOJJQI-RUAUBTSSSA-N 1 1 394.497 -0.091 20 0 GBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001648190095 1071474426 /nfs/dbraw/zinc/47/44/26/1071474426.db2.gz ADJKEPRUZMZKAO-ZDUSSCGKSA-N 1 1 398.485 -0.748 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC001648190157 1071474573 /nfs/dbraw/zinc/47/45/73/1071474573.db2.gz DEOWYCBJCMTXNA-UHFFFAOYSA-N 1 1 384.458 -0.432 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001648190185 1071474310 /nfs/dbraw/zinc/47/43/10/1071474310.db2.gz FRRCBLPAWIRUJC-GOSISDBHSA-N 1 1 384.477 -0.361 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001648190186 1071474591 /nfs/dbraw/zinc/47/45/91/1071474591.db2.gz FRRCBLPAWIRUJC-SFHVURJKSA-N 1 1 384.477 -0.361 20 0 GBADMO 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GBADMO CC(C)(C)OC(=O)N(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C[C@@H]1CCCO1 ZINC001648863094 1072336634 /nfs/dbraw/zinc/33/66/34/1072336634.db2.gz BVBNQFMGKAVPPQ-KBXCAEBGSA-N 1 1 387.477 -0.130 20 0 GBADMO CC(C)(C)OC(=O)N(CC(=O)NC[C@]1(CO)COCC[NH2+]1)C[C@H]1CCCO1 ZINC001648863095 1072336102 /nfs/dbraw/zinc/33/61/02/1072336102.db2.gz BVBNQFMGKAVPPQ-KDOFPFPSSA-N 1 1 387.477 -0.130 20 0 GBADMO CC(C)(C)OC(=O)N(CC(=O)NC[C@]1(CO)COCC[NH2+]1)C[C@@H]1CCCO1 ZINC001648863096 1072336845 /nfs/dbraw/zinc/33/68/45/1072336845.db2.gz BVBNQFMGKAVPPQ-KSSFIOAISA-N 1 1 387.477 -0.130 20 0 GBADMO CC(C)(C)OC(=O)N(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C[C@H]1CCCO1 ZINC001648863097 1072336497 /nfs/dbraw/zinc/33/64/97/1072336497.db2.gz BVBNQFMGKAVPPQ-RDTXWAMCSA-N 1 1 387.477 -0.130 20 0 GBADMO NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc2)C1 ZINC001648863522 1072336785 /nfs/dbraw/zinc/33/67/85/1072336785.db2.gz KCUYXNNGIGFEBN-BEFAXECRSA-N 1 1 376.457 -0.531 20 0 GBADMO NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc2)C1 ZINC001648863523 1072336694 /nfs/dbraw/zinc/33/66/94/1072336694.db2.gz KCUYXNNGIGFEBN-DNVCBOLYSA-N 1 1 376.457 -0.531 20 0 GBADMO NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc2)C1 ZINC001648863524 1072336741 /nfs/dbraw/zinc/33/67/41/1072336741.db2.gz KCUYXNNGIGFEBN-HNAYVOBHSA-N 1 1 376.457 -0.531 20 0 GBADMO NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc2)C1 ZINC001648863525 1072336125 /nfs/dbraw/zinc/33/61/25/1072336125.db2.gz KCUYXNNGIGFEBN-KXBFYZLASA-N 1 1 376.457 -0.531 20 0 GBADMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1C ZINC001648863709 1072336555 /nfs/dbraw/zinc/33/65/55/1072336555.db2.gz MRAZRRJVUMHVRG-KRWDZBQOSA-N 1 1 385.486 -0.609 20 0 GBADMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1C ZINC001648863710 1072336005 /nfs/dbraw/zinc/33/60/05/1072336005.db2.gz MRAZRRJVUMHVRG-QGZVFWFLSA-N 1 1 385.486 -0.609 20 0 GBADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648863719 1072336240 /nfs/dbraw/zinc/33/62/40/1072336240.db2.gz MVQXIBVSENQTKA-HNAYVOBHSA-N 1 1 394.472 -0.016 20 0 GBADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648863720 1072336152 /nfs/dbraw/zinc/33/61/52/1072336152.db2.gz MVQXIBVSENQTKA-KXBFYZLASA-N 1 1 394.472 -0.016 20 0 GBADMO C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001648863854 1072336593 /nfs/dbraw/zinc/33/65/93/1072336593.db2.gz NSKCVRQAFXCVED-AHIWAGSCSA-N 1 1 375.466 -0.683 20 0 GBADMO C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001648863855 1072336051 /nfs/dbraw/zinc/33/60/51/1072336051.db2.gz NSKCVRQAFXCVED-DCGLDWPTSA-N 1 1 375.466 -0.683 20 0 GBADMO C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001648863856 1072336296 /nfs/dbraw/zinc/33/62/96/1072336296.db2.gz NSKCVRQAFXCVED-GDZNZVCISA-N 1 1 375.466 -0.683 20 0 GBADMO C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001648863857 1072338017 /nfs/dbraw/zinc/33/80/17/1072338017.db2.gz NSKCVRQAFXCVED-OGHNNQOOSA-N 1 1 375.466 -0.683 20 0 GBADMO Nc1cc(I)ccc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648863886 1072337239 /nfs/dbraw/zinc/33/72/39/1072337239.db2.gz OLOSYNNWVDBCPZ-CYBMUJFWSA-N 1 1 391.209 -0.046 20 0 GBADMO Nc1cc(I)ccc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648863887 1072337965 /nfs/dbraw/zinc/33/79/65/1072337965.db2.gz OLOSYNNWVDBCPZ-ZDUSSCGKSA-N 1 1 391.209 -0.046 20 0 GBADMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648863922 1072337833 /nfs/dbraw/zinc/33/78/33/1072337833.db2.gz PXPHWEUGHQWQIC-DOTOQJQBSA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648863923 1072337873 /nfs/dbraw/zinc/33/78/73/1072337873.db2.gz PXPHWEUGHQWQIC-NVXWUHKLSA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648863924 1072338059 /nfs/dbraw/zinc/33/80/59/1072338059.db2.gz PXPHWEUGHQWQIC-RDJZCZTQSA-N 1 1 378.408 -0.628 20 0 GBADMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648863925 1072338039 /nfs/dbraw/zinc/33/80/39/1072338039.db2.gz PXPHWEUGHQWQIC-WBVHZDCISA-N 1 1 378.408 -0.628 20 0 GBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001648864230 1072337302 /nfs/dbraw/zinc/33/73/02/1072337302.db2.gz QNTZXDDUKZLTJC-GOSISDBHSA-N 1 1 378.404 -0.229 20 0 GBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001648864235 1072337732 /nfs/dbraw/zinc/33/77/32/1072337732.db2.gz QNTZXDDUKZLTJC-SFHVURJKSA-N 1 1 378.404 -0.229 20 0 GBADMO C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001648864290 1072337603 /nfs/dbraw/zinc/33/76/03/1072337603.db2.gz RUKXDABXTZNKSQ-CXAGYDPISA-N 1 1 385.486 -0.493 20 0 GBADMO C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001648864291 1072337204 /nfs/dbraw/zinc/33/72/04/1072337204.db2.gz RUKXDABXTZNKSQ-DYVFJYSZSA-N 1 1 385.486 -0.493 20 0 GBADMO C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001648864292 1072337151 /nfs/dbraw/zinc/33/71/51/1072337151.db2.gz RUKXDABXTZNKSQ-GUYCJALGSA-N 1 1 385.486 -0.493 20 0 GBADMO C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001648864293 1072337985 /nfs/dbraw/zinc/33/79/85/1072337985.db2.gz RUKXDABXTZNKSQ-SUMWQHHRSA-N 1 1 385.486 -0.493 20 0 GBADMO CCOc1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)ccc1OCC(=O)OC ZINC001648864480 1072337519 /nfs/dbraw/zinc/33/75/19/1072337519.db2.gz UGUVGFYUHCXTFV-GOSISDBHSA-N 1 1 382.413 -0.282 20 0 GBADMO CCOc1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)ccc1OCC(=O)OC ZINC001648864481 1072337137 /nfs/dbraw/zinc/33/71/37/1072337137.db2.gz UGUVGFYUHCXTFV-SFHVURJKSA-N 1 1 382.413 -0.282 20 0 GBADMO C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648864814 1072337937 /nfs/dbraw/zinc/33/79/37/1072337937.db2.gz XRWSWGXWDWLPMP-PMACEKPBSA-N 1 1 391.468 -0.471 20 0 GBADMO C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648864815 1072337638 /nfs/dbraw/zinc/33/76/38/1072337638.db2.gz XRWSWGXWDWLPMP-UXHICEINSA-N 1 1 391.468 -0.471 20 0 GBADMO C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864816 1072337275 /nfs/dbraw/zinc/33/72/75/1072337275.db2.gz XRWSWGXWDWLPMP-VQTJNVASSA-N 1 1 391.468 -0.471 20 0 GBADMO C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864817 1072337114 /nfs/dbraw/zinc/33/71/14/1072337114.db2.gz XRWSWGXWDWLPMP-WOJBJXKFSA-N 1 1 391.468 -0.471 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001648864844 1072337431 /nfs/dbraw/zinc/33/74/31/1072337431.db2.gz YCLQUSUPLGXROJ-HNNXBMFYSA-N 1 1 391.877 -0.329 20 0 GBADMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001648864845 1072338000 /nfs/dbraw/zinc/33/80/00/1072338000.db2.gz YCLQUSUPLGXROJ-OAHLLOKOSA-N 1 1 391.877 -0.329 20 0 GBADMO O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@]1(CO)COCC[NH2+]1 ZINC001648864895 1072337664 /nfs/dbraw/zinc/33/76/64/1072337664.db2.gz ZRZZKPPFAASSPN-INIZCTEOSA-N 1 1 380.426 -0.002 20 0 GBADMO O=C(Cc1csc(NC(=O)c2ccco2)n1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864896 1072337386 /nfs/dbraw/zinc/33/73/86/1072337386.db2.gz ZRZZKPPFAASSPN-MRXNPFEDSA-N 1 1 380.426 -0.002 20 0 GBADMO NS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1 ZINC001648908388 1072389935 /nfs/dbraw/zinc/38/99/35/1072389935.db2.gz GTABTYVGEYNQEQ-WMLDXEAASA-N 1 1 383.470 -0.782 20 0 GBADMO COc1cccc(C(=O)NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1 ZINC001648908417 1072390586 /nfs/dbraw/zinc/39/05/86/1072390586.db2.gz HULVHZOLEMIUFE-HNAYVOBHSA-N 1 1 377.441 -0.233 20 0 GBADMO Cc1cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ccc1S(N)(=O)=O ZINC001648908501 1072390517 /nfs/dbraw/zinc/39/05/17/1072390517.db2.gz LEVINUISUCESIT-WMLDXEAASA-N 1 1 383.470 -0.402 20 0 GBADMO O=C(CNC(=O)COc1ccccc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001648909137 1072454447 /nfs/dbraw/zinc/45/44/47/1072454447.db2.gz XHZURZSQZWGUEH-HNAYVOBHSA-N 1 1 377.441 -0.477 20 0 GBADMO O=C(N[C@@H](CO)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc(F)cc1 ZINC001648911532 1072574307 /nfs/dbraw/zinc/57/43/07/1072574307.db2.gz NLDFCZIPFOIWTF-TXPKVOOTSA-N 1 1 395.431 -0.742 20 0 GBADMO Cc1ccn(C[C@@](C)(O)C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c(=O)c1 ZINC001648912223 1072585907 /nfs/dbraw/zinc/58/59/07/1072585907.db2.gz VFKIMEADISINBK-KFKAGJAMSA-N 1 1 379.457 -0.750 20 0 GBADMO Cc1ccn(C[C@@](C)(O)C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c(=O)c1 ZINC001648912223 1072585895 /nfs/dbraw/zinc/58/58/95/1072585895.db2.gz VFKIMEADISINBK-KFKAGJAMSA-N 1 1 379.457 -0.750 20 0 GBADMO Cc1ccn(C[C@](C)(O)C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c(=O)c1 ZINC001648912224 1072585592 /nfs/dbraw/zinc/58/55/92/1072585592.db2.gz VFKIMEADISINBK-ZYSHUDEJSA-N 1 1 379.457 -0.750 20 0 GBADMO Cc1ccn(C[C@](C)(O)C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c(=O)c1 ZINC001648912224 1072585588 /nfs/dbraw/zinc/58/55/88/1072585588.db2.gz VFKIMEADISINBK-ZYSHUDEJSA-N 1 1 379.457 -0.750 20 0 GBADMO COCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001648931183 1073604276 /nfs/dbraw/zinc/60/42/76/1073604276.db2.gz GGHUSPDBHLGOMQ-UHFFFAOYSA-N 1 1 398.485 -0.885 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001648933958 1073606205 /nfs/dbraw/zinc/60/62/05/1073606205.db2.gz GPXLJGIFSVTVSL-ACJLOTCBSA-N 1 1 384.477 -0.363 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001648933959 1073606577 /nfs/dbraw/zinc/60/65/77/1073606577.db2.gz GPXLJGIFSVTVSL-FZKQIMNGSA-N 1 1 384.477 -0.363 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001648933960 1073606616 /nfs/dbraw/zinc/60/66/16/1073606616.db2.gz GPXLJGIFSVTVSL-SCLBCKFNSA-N 1 1 384.477 -0.363 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001648934061 1073606170 /nfs/dbraw/zinc/60/61/70/1073606170.db2.gz GPXLJGIFSVTVSL-UGSOOPFHSA-N 1 1 384.477 -0.363 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001648934296 1073606554 /nfs/dbraw/zinc/60/65/54/1073606554.db2.gz PQAQXXILWJSSLW-UHFFFAOYSA-N 1 1 390.440 -0.740 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001648934297 1073606333 /nfs/dbraw/zinc/60/63/33/1073606333.db2.gz PSNKARAAXOUTAJ-GFCCVEGCSA-N 1 1 383.449 -0.454 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001648934298 1073606407 /nfs/dbraw/zinc/60/64/07/1073606407.db2.gz PSNKARAAXOUTAJ-LBPRGKRZSA-N 1 1 383.449 -0.454 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 ZINC001648934328 1073606363 /nfs/dbraw/zinc/60/63/63/1073606363.db2.gz RVKNIRLVVIFRMH-HNNXBMFYSA-N 1 1 390.419 -0.864 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 ZINC001648934329 1073606538 /nfs/dbraw/zinc/60/65/38/1073606538.db2.gz RVKNIRLVVIFRMH-OAHLLOKOSA-N 1 1 390.419 -0.864 20 0 GBADMO 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ZINC001654292262 1071575000 /nfs/dbraw/zinc/57/50/00/1071575000.db2.gz RYWDGTXICHDEAP-CVEARBPZSA-N 1 1 383.518 -0.018 20 0 GBADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292264 1071574891 /nfs/dbraw/zinc/57/48/91/1071574891.db2.gz RYWDGTXICHDEAP-HOTGVXAUSA-N 1 1 383.518 -0.018 20 0 GBADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292265 1071575214 /nfs/dbraw/zinc/57/52/14/1071575214.db2.gz RYWDGTXICHDEAP-HZPDHXFCSA-N 1 1 383.518 -0.018 20 0 GBADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)cn1 ZINC001654292266 1071575272 /nfs/dbraw/zinc/57/52/72/1071575272.db2.gz RYWDGTXICHDEAP-JKSUJKDBSA-N 1 1 383.518 -0.018 20 0 GBADMO O=C1NC(=O)[C@]2(CCC[N@H+](C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)N1 ZINC001654332570 1071575963 /nfs/dbraw/zinc/57/59/63/1071575963.db2.gz CMPKNYUJIHNQIJ-BFUOFWGJSA-N 1 1 388.424 -0.015 20 0 GBADMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)N1 ZINC001654332571 1071576048 /nfs/dbraw/zinc/57/60/48/1071576048.db2.gz CMPKNYUJIHNQIJ-DJJJIMSYSA-N 1 1 388.424 -0.015 20 0 GBADMO O=C1NC(=O)[C@]2(CCC[N@H+](C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)N1 ZINC001654332573 1071575916 /nfs/dbraw/zinc/57/59/16/1071575916.db2.gz CMPKNYUJIHNQIJ-ORAYPTAESA-N 1 1 388.424 -0.015 20 0 GBADMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)N1 ZINC001654332575 1071575751 /nfs/dbraw/zinc/57/57/51/1071575751.db2.gz CMPKNYUJIHNQIJ-YJYMSZOUSA-N 1 1 388.424 -0.015 20 0 GBADMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001654387496 1071575772 /nfs/dbraw/zinc/57/57/72/1071575772.db2.gz BWCWWIWOMQYPFJ-GOEBONIOSA-N 1 1 385.486 -0.942 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)ccc1C ZINC001654391085 1071575860 /nfs/dbraw/zinc/57/58/60/1071575860.db2.gz SBEYQHXLXOJCDD-DZGCQCFKSA-N 1 1 385.486 -0.093 20 0 GBADMO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)ccc1C ZINC001654391085 1071575854 /nfs/dbraw/zinc/57/58/54/1071575854.db2.gz SBEYQHXLXOJCDD-DZGCQCFKSA-N 1 1 385.486 -0.093 20 0 GBADMO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001654391289 1071575794 /nfs/dbraw/zinc/57/57/94/1071575794.db2.gz YCUAPLGZKOXLGH-XJKSGUPXSA-N 1 1 383.470 -0.712 20 0 GBADMO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001654391289 1071575791 /nfs/dbraw/zinc/57/57/91/1071575791.db2.gz YCUAPLGZKOXLGH-XJKSGUPXSA-N 1 1 383.470 -0.712 20 0 GBADMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001654434791 1071576768 /nfs/dbraw/zinc/57/67/68/1071576768.db2.gz SRKYRBVVECGCHL-CYBMUJFWSA-N 1 1 377.441 -0.183 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001654434792 1071576622 /nfs/dbraw/zinc/57/66/22/1071576622.db2.gz SRKYRBVVECGCHL-ZDUSSCGKSA-N 1 1 377.441 -0.183 20 0 GBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC001654457139 1071576808 /nfs/dbraw/zinc/57/68/08/1071576808.db2.gz YYBBZCHKQIPRLL-BEFAXECRSA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC001654457139 1071576801 /nfs/dbraw/zinc/57/68/01/1071576801.db2.gz YYBBZCHKQIPRLL-BEFAXECRSA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC001654457140 1071577322 /nfs/dbraw/zinc/57/73/22/1071577322.db2.gz YYBBZCHKQIPRLL-DNVCBOLYSA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC001654457140 1071577315 /nfs/dbraw/zinc/57/73/15/1071577315.db2.gz YYBBZCHKQIPRLL-DNVCBOLYSA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC001654457141 1071577411 /nfs/dbraw/zinc/57/74/11/1071577411.db2.gz YYBBZCHKQIPRLL-HNAYVOBHSA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC001654457141 1071577404 /nfs/dbraw/zinc/57/74/04/1071577404.db2.gz YYBBZCHKQIPRLL-HNAYVOBHSA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC001654457142 1071577452 /nfs/dbraw/zinc/57/74/52/1071577452.db2.gz YYBBZCHKQIPRLL-KXBFYZLASA-N 1 1 389.456 -0.517 20 0 GBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC001654457142 1071577444 /nfs/dbraw/zinc/57/74/44/1071577444.db2.gz YYBBZCHKQIPRLL-KXBFYZLASA-N 1 1 389.456 -0.517 20 0 GBADMO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001654466810 1071577487 /nfs/dbraw/zinc/57/74/87/1071577487.db2.gz HUEGCZDJOMXHBB-YOEHRIQHSA-N 1 1 397.497 -0.221 20 0 GBADMO CC(C)N(CCCNC(=O)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)S(C)(=O)=O ZINC001654473179 1071577538 /nfs/dbraw/zinc/57/75/38/1071577538.db2.gz SOKGKDUXWRQNJZ-IYBDPMFKSA-N 1 1 392.566 -0.450 20 0 GBADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[N@H+]1C[C@@H]3C(=O)NC(=O)[C@@H]3C1)OC2=O ZINC001654514455 1071578114 /nfs/dbraw/zinc/57/81/14/1071578114.db2.gz JJLPEUSDHGRXAG-SDDRHHMPSA-N 1 1 379.413 -0.257 20 0 GBADMO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[N@H+]1C[C@@H]3C(=O)NC(=O)[C@@H]3C1)OC2=O ZINC001654514456 1071578232 /nfs/dbraw/zinc/57/82/32/1071578232.db2.gz JJLPEUSDHGRXAG-UTUOFQBUSA-N 1 1 379.413 -0.257 20 0 GBADMO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)C1 ZINC001654514575 1071578616 /nfs/dbraw/zinc/57/86/16/1071578616.db2.gz NYPDFNRVFIQDGU-BMFZPTHFSA-N 1 1 390.484 -0.312 20 0 GBADMO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)C1 ZINC001654514576 1071578315 /nfs/dbraw/zinc/57/83/15/1071578315.db2.gz NYPDFNRVFIQDGU-CWRNSKLLSA-N 1 1 390.484 -0.312 20 0 GBADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001654514762 1071578155 /nfs/dbraw/zinc/57/81/55/1071578155.db2.gz WAANAQDPUVCPMO-BETUJISGSA-N 1 1 380.426 -0.920 20 0 GBADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001654514762 1071578150 /nfs/dbraw/zinc/57/81/50/1071578150.db2.gz WAANAQDPUVCPMO-BETUJISGSA-N 1 1 380.426 -0.920 20 0 GBADMO CNC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC001654515334 1071578408 /nfs/dbraw/zinc/57/84/08/1071578408.db2.gz LLMYWBNDWQAMHX-CYBMUJFWSA-N 1 1 377.511 -0.832 20 0 GBADMO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC001654515334 1071578400 /nfs/dbraw/zinc/57/84/00/1071578400.db2.gz LLMYWBNDWQAMHX-CYBMUJFWSA-N 1 1 377.511 -0.832 20 0 GBADMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC001654515335 1071578262 /nfs/dbraw/zinc/57/82/62/1071578262.db2.gz LLMYWBNDWQAMHX-ZDUSSCGKSA-N 1 1 377.511 -0.832 20 0 GBADMO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC001654515335 1071578256 /nfs/dbraw/zinc/57/82/56/1071578256.db2.gz LLMYWBNDWQAMHX-ZDUSSCGKSA-N 1 1 377.511 -0.832 20 0 GBADMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001654515374 1071578202 /nfs/dbraw/zinc/57/82/02/1071578202.db2.gz MVSNESLDJPJMKA-AWEZNQCLSA-N 1 1 389.522 -0.690 20 0 GBADMO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001654515374 1071578196 /nfs/dbraw/zinc/57/81/96/1071578196.db2.gz MVSNESLDJPJMKA-AWEZNQCLSA-N 1 1 389.522 -0.690 20 0 GBADMO CNC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001654515375 1071578525 /nfs/dbraw/zinc/57/85/25/1071578525.db2.gz MVSNESLDJPJMKA-CQSZACIVSA-N 1 1 389.522 -0.690 20 0 GBADMO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001654515375 1071578517 /nfs/dbraw/zinc/57/85/17/1071578517.db2.gz MVSNESLDJPJMKA-CQSZACIVSA-N 1 1 389.522 -0.690 20 0 GBADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001654529518 1071578293 /nfs/dbraw/zinc/57/82/93/1071578293.db2.gz RJCYADAQQSASMV-SJORKVTESA-N 1 1 397.497 -0.912 20 0 GBADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001654529518 1071578290 /nfs/dbraw/zinc/57/82/90/1071578290.db2.gz RJCYADAQQSASMV-SJORKVTESA-N 1 1 397.497 -0.912 20 0 GBADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001654537790 1071578586 /nfs/dbraw/zinc/57/85/86/1071578586.db2.gz BGINLPSQDIMIGQ-TVYUQYBPSA-N 1 1 380.426 -0.792 20 0 GBADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001654537790 1071578579 /nfs/dbraw/zinc/57/85/79/1071578579.db2.gz BGINLPSQDIMIGQ-TVYUQYBPSA-N 1 1 380.426 -0.792 20 0 GBADMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001654537791 1071578222 /nfs/dbraw/zinc/57/82/22/1071578222.db2.gz BGINLPSQDIMIGQ-WQAKAFBOSA-N 1 1 380.426 -0.792 20 0 GBADMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001654537791 1071578216 /nfs/dbraw/zinc/57/82/16/1071578216.db2.gz BGINLPSQDIMIGQ-WQAKAFBOSA-N 1 1 380.426 -0.792 20 0 GBADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC001654538592 1071578104 /nfs/dbraw/zinc/57/81/04/1071578104.db2.gz YKKKKIVOIBSLHJ-OKILXGFUSA-N 1 1 394.453 -0.578 20 0 GBADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC001654538592 1071578102 /nfs/dbraw/zinc/57/81/02/1071578102.db2.gz YKKKKIVOIBSLHJ-OKILXGFUSA-N 1 1 394.453 -0.578 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)CC1 ZINC001654560576 1071578087 /nfs/dbraw/zinc/57/80/87/1071578087.db2.gz XQCFAPQWFYEJRU-INIZCTEOSA-N 1 1 386.518 -0.498 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)CC1 ZINC001654560576 1071578082 /nfs/dbraw/zinc/57/80/82/1071578082.db2.gz XQCFAPQWFYEJRU-INIZCTEOSA-N 1 1 386.518 -0.498 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 ZINC001654560577 1071578469 /nfs/dbraw/zinc/57/84/69/1071578469.db2.gz XQCFAPQWFYEJRU-MRXNPFEDSA-N 1 1 386.518 -0.498 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 ZINC001654560577 1071578461 /nfs/dbraw/zinc/57/84/61/1071578461.db2.gz XQCFAPQWFYEJRU-MRXNPFEDSA-N 1 1 386.518 -0.498 20 0 GBADMO CN(CCCOc1ccccc1)C(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001654575459 1071579367 /nfs/dbraw/zinc/57/93/67/1071579367.db2.gz SSTJHXMCMNDUMZ-UHFFFAOYSA-N 1 1 397.497 -0.064 20 0 GBADMO NC(=O)C1([NH2+]C[C@@H](O)c2cc(Br)no2)CCS(=O)(=O)CC1 ZINC001654575475 1071579393 /nfs/dbraw/zinc/57/93/93/1071579393.db2.gz UBORTGAJMBJSGV-SSDOTTSWSA-N 1 1 382.236 -0.507 20 0 GBADMO NC(=O)C1([NH2+]C[C@H](O)c2cc(Br)no2)CCS(=O)(=O)CC1 ZINC001654575476 1071579338 /nfs/dbraw/zinc/57/93/38/1071579338.db2.gz UBORTGAJMBJSGV-ZETCQYMHSA-N 1 1 382.236 -0.507 20 0 GBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)CC1 ZINC001654610690 1071579344 /nfs/dbraw/zinc/57/93/44/1071579344.db2.gz YGFOWVCEHOZIID-UHFFFAOYSA-N 1 1 380.449 -0.486 20 0 GBADMO COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001654620308 1071579287 /nfs/dbraw/zinc/57/92/87/1071579287.db2.gz RDTKAHLSIQABRT-DOMZBBRYSA-N 1 1 378.491 -0.402 20 0 GBADMO COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001654620309 1071579170 /nfs/dbraw/zinc/57/91/70/1071579170.db2.gz 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/nfs/dbraw/zinc/61/78/65/1071617865.db2.gz DVCAQZDDJAEWEQ-CYBMUJFWSA-N 1 1 395.504 -0.985 20 0 GBADMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)C(=O)N(C)C ZINC001656984279 1071617715 /nfs/dbraw/zinc/61/77/15/1071617715.db2.gz DVCAQZDDJAEWEQ-ZDUSSCGKSA-N 1 1 395.504 -0.985 20 0 GBADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC001657001868 1071617693 /nfs/dbraw/zinc/61/76/93/1071617693.db2.gz LODNIDHSFMFSKL-RZFFKMDDSA-N 1 1 376.461 -0.921 20 0 GBADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC001657001868 1071617688 /nfs/dbraw/zinc/61/76/88/1071617688.db2.gz LODNIDHSFMFSKL-RZFFKMDDSA-N 1 1 376.461 -0.921 20 0 GBADMO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC001657064668 1071619245 /nfs/dbraw/zinc/61/92/45/1071619245.db2.gz NOZFDKOZVPWEMW-GFCCVEGCSA-N 1 1 392.437 -0.299 20 0 GBADMO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC001657064669 1071619249 /nfs/dbraw/zinc/61/92/49/1071619249.db2.gz NOZFDKOZVPWEMW-LBPRGKRZSA-N 1 1 392.437 -0.299 20 0 GBADMO Cn1cc([C@@H]2C[C@H]2C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 ZINC001657293841 1071622509 /nfs/dbraw/zinc/62/25/09/1071622509.db2.gz SACSWENIWPYCMN-DOTOQJQBSA-N 1 1 382.534 -0.367 20 0 GBADMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302419 1071622609 /nfs/dbraw/zinc/62/26/09/1071622609.db2.gz GSKVSLRJLYFELC-KBPBESRZSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302419 1071622605 /nfs/dbraw/zinc/62/26/05/1071622605.db2.gz GSKVSLRJLYFELC-KBPBESRZSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302420 1071622532 /nfs/dbraw/zinc/62/25/32/1071622532.db2.gz GSKVSLRJLYFELC-KGLIPLIRSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302420 1071622530 /nfs/dbraw/zinc/62/25/30/1071622530.db2.gz GSKVSLRJLYFELC-KGLIPLIRSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302421 1071622360 /nfs/dbraw/zinc/62/23/60/1071622360.db2.gz GSKVSLRJLYFELC-UONOGXRCSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302421 1071622355 /nfs/dbraw/zinc/62/23/55/1071622355.db2.gz GSKVSLRJLYFELC-UONOGXRCSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302422 1071622503 /nfs/dbraw/zinc/62/25/03/1071622503.db2.gz GSKVSLRJLYFELC-ZIAGYGMSSA-N 1 1 383.470 -0.066 20 0 GBADMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001657302422 1071622500 /nfs/dbraw/zinc/62/25/00/1071622500.db2.gz GSKVSLRJLYFELC-ZIAGYGMSSA-N 1 1 383.470 -0.066 20 0 GBADMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527235 1071625049 /nfs/dbraw/zinc/62/50/49/1071625049.db2.gz SQCJPJHMYQDIMY-CEXWTWQISA-N 1 1 393.484 -0.007 20 0 GBADMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527236 1071625131 /nfs/dbraw/zinc/62/51/31/1071625131.db2.gz SQCJPJHMYQDIMY-GBESFXJTSA-N 1 1 393.484 -0.007 20 0 GBADMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527237 1071625150 /nfs/dbraw/zinc/62/51/50/1071625150.db2.gz SQCJPJHMYQDIMY-GUDVDZBRSA-N 1 1 393.484 -0.007 20 0 GBADMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527238 1071625221 /nfs/dbraw/zinc/62/52/21/1071625221.db2.gz SQCJPJHMYQDIMY-IPMKNSEASA-N 1 1 393.484 -0.007 20 0 GBADMO CN1CCN(C(=O)CC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)CC1 ZINC001657661032 1071625028 /nfs/dbraw/zinc/62/50/28/1071625028.db2.gz MIMUEAKTHUDSOI-UHFFFAOYSA-N 1 1 387.546 -0.198 20 0 GBADMO CC(C)(C)OC(=O)NCCOCC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001657706869 1071625121 /nfs/dbraw/zinc/62/51/21/1071625121.db2.gz MPKIGNDFKSQZIC-UHFFFAOYSA-N 1 1 380.511 -0.566 20 0 GBADMO CC(=O)N1CCC(NC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001657881006 1071625819 /nfs/dbraw/zinc/62/58/19/1071625819.db2.gz UGZXYESMLTUIPD-KRWDZBQOSA-N 1 1 379.505 -0.472 20 0 GBADMO CC(=O)N1CCC(NC(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001657881192 1071625812 /nfs/dbraw/zinc/62/58/12/1071625812.db2.gz UGZXYESMLTUIPD-QGZVFWFLSA-N 1 1 379.505 -0.472 20 0 GBADMO CCOC(=O)c1ncn(C2CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC2)c1N ZINC001658241509 1071626645 /nfs/dbraw/zinc/62/66/45/1071626645.db2.gz PDWZXJHZAQWGHF-GFCCVEGCSA-N 1 1 394.476 -0.128 20 0 GBADMO CCOC(=O)c1ncn(C2CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)c1N ZINC001658241510 1071626417 /nfs/dbraw/zinc/62/64/17/1071626417.db2.gz PDWZXJHZAQWGHF-LBPRGKRZSA-N 1 1 394.476 -0.128 20 0 GBADMO Cn1c(=O)c2cc(NC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)cnc2n(C)c1=O ZINC001658275942 1071626567 /nfs/dbraw/zinc/62/65/67/1071626567.db2.gz PCXJFAXZIBYKGC-NSHDSACASA-N 1 1 390.444 -0.401 20 0 GBADMO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001658345437 1071626518 /nfs/dbraw/zinc/62/65/18/1071626518.db2.gz MVQNDGDQIIWVBS-CYBMUJFWSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001658345437 1071626515 /nfs/dbraw/zinc/62/65/15/1071626515.db2.gz MVQNDGDQIIWVBS-CYBMUJFWSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001658345438 1071626585 /nfs/dbraw/zinc/62/65/85/1071626585.db2.gz MVQNDGDQIIWVBS-ZDUSSCGKSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001658345438 1071626583 /nfs/dbraw/zinc/62/65/83/1071626583.db2.gz MVQNDGDQIIWVBS-ZDUSSCGKSA-N 1 1 382.486 -0.455 20 0 GBADMO C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC001658373947 1071626559 /nfs/dbraw/zinc/62/65/59/1071626559.db2.gz VZKPLEORGGJZRP-HNNXBMFYSA-N 1 1 398.529 -0.619 20 0 GBADMO C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC001658373947 1071626557 /nfs/dbraw/zinc/62/65/57/1071626557.db2.gz VZKPLEORGGJZRP-HNNXBMFYSA-N 1 1 398.529 -0.619 20 0 GBADMO C[C@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1CCO ZINC001658373947 1071626554 /nfs/dbraw/zinc/62/65/54/1071626554.db2.gz VZKPLEORGGJZRP-HNNXBMFYSA-N 1 1 398.529 -0.619 20 0 GBADMO C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC001658373948 1071626455 /nfs/dbraw/zinc/62/64/55/1071626455.db2.gz VZKPLEORGGJZRP-OAHLLOKOSA-N 1 1 398.529 -0.619 20 0 GBADMO C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC001658373948 1071626450 /nfs/dbraw/zinc/62/64/50/1071626450.db2.gz VZKPLEORGGJZRP-OAHLLOKOSA-N 1 1 398.529 -0.619 20 0 GBADMO C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1CCO ZINC001658373948 1071626446 /nfs/dbraw/zinc/62/64/46/1071626446.db2.gz VZKPLEORGGJZRP-OAHLLOKOSA-N 1 1 398.529 -0.619 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001658374145 1071626617 /nfs/dbraw/zinc/62/66/17/1071626617.db2.gz YPKPICSWRSNKBB-CABCVRRESA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001658374145 1071626615 /nfs/dbraw/zinc/62/66/15/1071626615.db2.gz YPKPICSWRSNKBB-CABCVRRESA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001658374146 1071626490 /nfs/dbraw/zinc/62/64/90/1071626490.db2.gz YPKPICSWRSNKBB-GJZGRUSLSA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001658374146 1071626487 /nfs/dbraw/zinc/62/64/87/1071626487.db2.gz YPKPICSWRSNKBB-GJZGRUSLSA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001658374147 1071626576 /nfs/dbraw/zinc/62/65/76/1071626576.db2.gz YPKPICSWRSNKBB-HUUCEWRRSA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001658374147 1071626574 /nfs/dbraw/zinc/62/65/74/1071626574.db2.gz YPKPICSWRSNKBB-HUUCEWRRSA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001658374148 1071626603 /nfs/dbraw/zinc/62/66/03/1071626603.db2.gz YPKPICSWRSNKBB-LSDHHAIUSA-N 1 1 398.529 -0.620 20 0 GBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001658374148 1071626599 /nfs/dbraw/zinc/62/65/99/1071626599.db2.gz YPKPICSWRSNKBB-LSDHHAIUSA-N 1 1 398.529 -0.620 20 0 GBADMO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488108 1071626621 /nfs/dbraw/zinc/62/66/21/1071626621.db2.gz IQZCZWPOFASVGQ-APXRDBCWSA-N 1 1 397.472 -0.104 20 0 GBADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488109 1071626527 /nfs/dbraw/zinc/62/65/27/1071626527.db2.gz IQZCZWPOFASVGQ-KWUTWHQWSA-N 1 1 397.472 -0.104 20 0 GBADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488110 1071627104 /nfs/dbraw/zinc/62/71/04/1071627104.db2.gz IQZCZWPOFASVGQ-RWNCWCDWSA-N 1 1 397.472 -0.104 20 0 GBADMO 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CNC(=O)c1cc(O[C@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C2)ccn1 ZINC001659234893 1071629680 /nfs/dbraw/zinc/62/96/80/1071629680.db2.gz DIWFCUBBZYRVOA-OCCSQVGLSA-N 1 1 378.429 -0.038 20 0 GBADMO CNC(=O)c1cc(O[C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C2)ccn1 ZINC001659234894 1071629633 /nfs/dbraw/zinc/62/96/33/1071629633.db2.gz DIWFCUBBZYRVOA-TZMCWYRMSA-N 1 1 378.429 -0.038 20 0 GBADMO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C2)ccn1 ZINC001659234894 1071629631 /nfs/dbraw/zinc/62/96/31/1071629631.db2.gz DIWFCUBBZYRVOA-TZMCWYRMSA-N 1 1 378.429 -0.038 20 0 GBADMO CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC001659242178 1071629657 /nfs/dbraw/zinc/62/96/57/1071629657.db2.gz QZAHCLQBSVMLHA-UHFFFAOYSA-N 1 1 378.481 -0.390 20 0 GBADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(c3nnc(N)o3)CC2)CC1 ZINC001659247277 1071629623 /nfs/dbraw/zinc/62/96/23/1071629623.db2.gz ZVUZGCOELSWSJU-UHFFFAOYSA-N 1 1 386.478 -0.629 20 0 GBADMO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(Cc3nc[nH]n3)CC2)c1 ZINC001659251228 1071629599 /nfs/dbraw/zinc/62/95/99/1071629599.db2.gz MVTJZDTVYLIFDS-UHFFFAOYSA-N 1 1 393.473 -0.402 20 0 GBADMO C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H](C)[N@@H+]1CCO ZINC001659366218 1071631016 /nfs/dbraw/zinc/63/10/16/1071631016.db2.gz JBVWFUGCCCUTAT-GASCZTMLSA-N 1 1 394.476 -0.339 20 0 GBADMO C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H](C)[N@H+]1CCO ZINC001659366218 1071631001 /nfs/dbraw/zinc/63/10/01/1071631001.db2.gz JBVWFUGCCCUTAT-GASCZTMLSA-N 1 1 394.476 -0.339 20 0 GBADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)C2)C1 ZINC001659417450 1071631124 /nfs/dbraw/zinc/63/11/24/1071631124.db2.gz NUEZAVWSKHCWBJ-VYGYDYRJSA-N 1 1 396.488 -0.079 20 0 GBADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)C2)C1 ZINC001659417452 1071631162 /nfs/dbraw/zinc/63/11/62/1071631162.db2.gz NUEZAVWSKHCWBJ-WZFJYNIESA-N 1 1 396.488 -0.079 20 0 GBADMO NC(=O)[C@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H]1C(N)=O ZINC001659417579 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/nfs/dbraw/zinc/73/92/08/1071739208.db2.gz RHOXCNKMSUUNEZ-UHFFFAOYSA-N 1 1 386.396 -0.480 20 0 GBADMO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001666107390 1071739865 /nfs/dbraw/zinc/73/98/65/1071739865.db2.gz SMBSCTSLTFUKIG-GOEBONIOSA-N 1 1 392.522 -0.817 20 0 GBADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC001666134167 1071740311 /nfs/dbraw/zinc/74/03/11/1071740311.db2.gz VSFJRGZYWHLZBS-UHFFFAOYSA-N 1 1 383.474 -0.697 20 0 GBADMO COc1cc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1OCC(N)=O ZINC001666251363 1071743631 /nfs/dbraw/zinc/74/36/31/1071743631.db2.gz UVGCPLXXVJBHKI-UHFFFAOYSA-N 1 1 393.488 -0.052 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001666284536 1071744095 /nfs/dbraw/zinc/74/40/95/1071744095.db2.gz VTMUFUXPQQJLLE-HZMBPMFUSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@@H]1C[N@H+](C)CCN1C ZINC001666284536 1071744093 /nfs/dbraw/zinc/74/40/93/1071744093.db2.gz VTMUFUXPQQJLLE-HZMBPMFUSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@H]1C[N@@H+](C)CCN1C ZINC001666284537 1071744277 /nfs/dbraw/zinc/74/42/77/1071744277.db2.gz VTMUFUXPQQJLLE-IINYFYTJSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@H]1C[N@H+](C)CCN1C ZINC001666284537 1071744270 /nfs/dbraw/zinc/74/42/70/1071744270.db2.gz VTMUFUXPQQJLLE-IINYFYTJSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@H]1C[N@@H+](C)CCN1C ZINC001666284538 1071744153 /nfs/dbraw/zinc/74/41/53/1071744153.db2.gz VTMUFUXPQQJLLE-QMTHXVAHSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@H]1C[N@H+](C)CCN1C ZINC001666284538 1071744148 /nfs/dbraw/zinc/74/41/48/1071744148.db2.gz VTMUFUXPQQJLLE-QMTHXVAHSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001666284539 1071744215 /nfs/dbraw/zinc/74/42/15/1071744215.db2.gz VTMUFUXPQQJLLE-YGRLFVJLSA-N 1 1 381.458 -0.046 20 0 GBADMO C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[C@@H]1C[N@H+](C)CCN1C ZINC001666284539 1071744210 /nfs/dbraw/zinc/74/42/10/1071744210.db2.gz VTMUFUXPQQJLLE-YGRLFVJLSA-N 1 1 381.458 -0.046 20 0 GBADMO CN1C(=O)N=NC1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001666315440 1071744847 /nfs/dbraw/zinc/74/48/47/1071744847.db2.gz JGXLRUBWQNKKQN-UHFFFAOYSA-N 1 1 387.444 -0.092 20 0 GBADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC(S(N)(=O)=O)C3)cc2)CC1 ZINC001666315702 1071744816 /nfs/dbraw/zinc/74/48/16/1071744816.db2.gz OJGWEDBSHQSPGG-UHFFFAOYSA-N 1 1 395.485 -0.744 20 0 GBADMO COC(=O)C1(O)CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001666316375 1071744911 /nfs/dbraw/zinc/74/49/11/1071744911.db2.gz YAWVCEWPHHPEMK-UHFFFAOYSA-N 1 1 390.440 -0.497 20 0 GBADMO Cc1oc(C(N)=O)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001666423288 1071746883 /nfs/dbraw/zinc/74/68/83/1071746883.db2.gz LMRQVKISYKPJLD-UHFFFAOYSA-N 1 1 398.485 -0.138 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001666426785 1071747530 /nfs/dbraw/zinc/74/75/30/1071747530.db2.gz IZTGYPUQDKXPRS-CVEARBPZSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001666426785 1071747526 /nfs/dbraw/zinc/74/75/26/1071747526.db2.gz IZTGYPUQDKXPRS-CVEARBPZSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001666426786 1071747336 /nfs/dbraw/zinc/74/73/36/1071747336.db2.gz IZTGYPUQDKXPRS-HOTGVXAUSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001666426786 1071747331 /nfs/dbraw/zinc/74/73/31/1071747331.db2.gz IZTGYPUQDKXPRS-HOTGVXAUSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001666426787 1071747388 /nfs/dbraw/zinc/74/73/88/1071747388.db2.gz IZTGYPUQDKXPRS-HZPDHXFCSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001666426787 1071747382 /nfs/dbraw/zinc/74/73/82/1071747382.db2.gz IZTGYPUQDKXPRS-HZPDHXFCSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001666426788 1071747476 /nfs/dbraw/zinc/74/74/76/1071747476.db2.gz IZTGYPUQDKXPRS-JKSUJKDBSA-N 1 1 387.444 -0.090 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001666426788 1071747473 /nfs/dbraw/zinc/74/74/73/1071747473.db2.gz IZTGYPUQDKXPRS-JKSUJKDBSA-N 1 1 387.444 -0.090 20 0 GBADMO NS(=O)(=O)CCCCS(=O)(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001666447906 1071748060 /nfs/dbraw/zinc/74/80/60/1071748060.db2.gz SLIHIYUYTLUNFE-UHFFFAOYSA-N 1 1 383.536 -0.571 20 0 GBADMO CC(C)[C@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)[NH+]1CCOCC1 ZINC001666478799 1071748686 /nfs/dbraw/zinc/74/86/86/1071748686.db2.gz KVXCXIUIAKZRQJ-HNNXBMFYSA-N 1 1 381.481 -0.187 20 0 GBADMO CC(C)[C@@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)[NH+]1CCOCC1 ZINC001666478800 1071748672 /nfs/dbraw/zinc/74/86/72/1071748672.db2.gz KVXCXIUIAKZRQJ-OAHLLOKOSA-N 1 1 381.481 -0.187 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001666480067 1071748846 /nfs/dbraw/zinc/74/88/46/1071748846.db2.gz ZMZBGVUCAPMLRL-CABCVRRESA-N 1 1 376.523 -0.076 20 0 GBADMO CC(C)[C@H](CNC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001666480068 1071748756 /nfs/dbraw/zinc/74/87/56/1071748756.db2.gz ZMZBGVUCAPMLRL-GJZGRUSLSA-N 1 1 376.523 -0.076 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001666480069 1071748654 /nfs/dbraw/zinc/74/86/54/1071748654.db2.gz ZMZBGVUCAPMLRL-HUUCEWRRSA-N 1 1 376.523 -0.076 20 0 GBADMO CC(C)[C@@H](CNC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001666480070 1071748663 /nfs/dbraw/zinc/74/86/63/1071748663.db2.gz ZMZBGVUCAPMLRL-LSDHHAIUSA-N 1 1 376.523 -0.076 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H](O)[C@@H](C)O ZINC001666481667 1071748823 /nfs/dbraw/zinc/74/88/23/1071748823.db2.gz DJDKAGYHMOVPDH-DOMZBBRYSA-N 1 1 380.445 -0.054 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H](O)[C@@H](C)O ZINC001666481668 1071748633 /nfs/dbraw/zinc/74/86/33/1071748633.db2.gz DJDKAGYHMOVPDH-IUODEOHRSA-N 1 1 380.445 -0.054 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H](O)[C@H](C)O ZINC001666481669 1071748727 /nfs/dbraw/zinc/74/87/27/1071748727.db2.gz DJDKAGYHMOVPDH-SWLSCSKDSA-N 1 1 380.445 -0.054 20 0 GBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H](O)[C@H](C)O ZINC001666481670 1071748608 /nfs/dbraw/zinc/74/86/08/1071748608.db2.gz DJDKAGYHMOVPDH-WFASDCNBSA-N 1 1 380.445 -0.054 20 0 GBADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001666487908 1071749450 /nfs/dbraw/zinc/74/94/50/1071749450.db2.gz JAHZCYLFTQVVRF-UHFFFAOYSA-N 1 1 376.465 -0.415 20 0 GBADMO CC(C)[C@H](CNC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12)N1CC[NH+](C)CC1 ZINC001666493571 1071749489 /nfs/dbraw/zinc/74/94/89/1071749489.db2.gz ODNUUZWXZITVER-AWEZNQCLSA-N 1 1 390.492 -0.169 20 0 GBADMO CC(C)[C@@H](CNC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12)N1CC[NH+](C)CC1 ZINC001666493572 1071749170 /nfs/dbraw/zinc/74/91/70/1071749170.db2.gz ODNUUZWXZITVER-CQSZACIVSA-N 1 1 390.492 -0.169 20 0 GBADMO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001666513197 1071750247 /nfs/dbraw/zinc/75/02/47/1071750247.db2.gz KGOHKQAUTSNJDE-CQSZACIVSA-N 1 1 381.477 -0.003 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H](CO)[C@@H]1CCOC1 ZINC001666513389 1071750316 /nfs/dbraw/zinc/75/03/16/1071750316.db2.gz MMIFITSHLMRVEF-CVEARBPZSA-N 1 1 378.477 -0.315 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H](CO)[C@H]1CCOC1 ZINC001666513390 1071750034 /nfs/dbraw/zinc/75/00/34/1071750034.db2.gz MMIFITSHLMRVEF-HOTGVXAUSA-N 1 1 378.477 -0.315 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H](CO)[C@@H]1CCOC1 ZINC001666513391 1071750058 /nfs/dbraw/zinc/75/00/58/1071750058.db2.gz MMIFITSHLMRVEF-HZPDHXFCSA-N 1 1 378.477 -0.315 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H](CO)[C@H]1CCOC1 ZINC001666513392 1071750303 /nfs/dbraw/zinc/75/03/03/1071750303.db2.gz MMIFITSHLMRVEF-JKSUJKDBSA-N 1 1 378.477 -0.315 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@@H]1CNC(=O)C1 ZINC001666513557 1071750128 /nfs/dbraw/zinc/75/01/28/1071750128.db2.gz SRUDNQGGMOUSLE-HNNXBMFYSA-N 1 1 375.477 -0.186 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@H]1CNC(=O)C1 ZINC001666513558 1071750350 /nfs/dbraw/zinc/75/03/50/1071750350.db2.gz SRUDNQGGMOUSLE-OAHLLOKOSA-N 1 1 375.477 -0.186 20 0 GBADMO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001666579365 1071751430 /nfs/dbraw/zinc/75/14/30/1071751430.db2.gz CZZBFIIRJOMILI-CVEARBPZSA-N 1 1 378.458 -0.118 20 0 GBADMO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001666579365 1071751425 /nfs/dbraw/zinc/75/14/25/1071751425.db2.gz CZZBFIIRJOMILI-CVEARBPZSA-N 1 1 378.458 -0.118 20 0 GBADMO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001666579366 1071751717 /nfs/dbraw/zinc/75/17/17/1071751717.db2.gz 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C[C@@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@H](C)[N@@H+]1CCO ZINC001666749696 1071753594 /nfs/dbraw/zinc/75/35/94/1071753594.db2.gz DOOBXYCZUCIAKH-PHIMTYICSA-N 1 1 376.504 -0.008 20 0 GBADMO C[NH+]1CCN(C(=O)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC001666788896 1071754347 /nfs/dbraw/zinc/75/43/47/1071754347.db2.gz QMNFBSXMQUAPHJ-UHFFFAOYSA-N 1 1 390.444 -0.813 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CCOC2CCOCC2)CC1 ZINC001666799476 1071754327 /nfs/dbraw/zinc/75/43/27/1071754327.db2.gz LOEFMKVILRUVRX-INIZCTEOSA-N 1 1 389.518 -0.074 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CCOC2CCOCC2)CC1 ZINC001666799476 1071754322 /nfs/dbraw/zinc/75/43/22/1071754322.db2.gz LOEFMKVILRUVRX-INIZCTEOSA-N 1 1 389.518 -0.074 20 0 GBADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)CCOC2CCOCC2)CC1 ZINC001666799477 1071754466 /nfs/dbraw/zinc/75/44/66/1071754466.db2.gz LOEFMKVILRUVRX-MRXNPFEDSA-N 1 1 389.518 -0.074 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CCOC2CCOCC2)CC1 ZINC001666799477 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1 1 389.456 -0.388 20 0 GBADMO NC(=O)[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001673683711 1071819540 /nfs/dbraw/zinc/81/95/40/1071819540.db2.gz NVPGAMNZMYKFOQ-IYBDPMFKSA-N 1 1 389.456 -0.388 20 0 GBADMO NS(=O)(=O)c1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cs1 ZINC001673850391 1071821422 /nfs/dbraw/zinc/82/14/22/1071821422.db2.gz OEGWLQRHXKCUNK-SMDDNHRTSA-N 1 1 390.487 -0.257 20 0 GBADMO CN(CCS(N)(=O)=O)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001673856928 1071821448 /nfs/dbraw/zinc/82/14/48/1071821448.db2.gz WTYCUJDVDOBVCU-AWEZNQCLSA-N 1 1 383.474 -0.112 20 0 GBADMO CN(CCS(N)(=O)=O)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001673856928 1071821446 /nfs/dbraw/zinc/82/14/46/1071821446.db2.gz WTYCUJDVDOBVCU-AWEZNQCLSA-N 1 1 383.474 -0.112 20 0 GBADMO CN(CCS(N)(=O)=O)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001673856929 1071821459 /nfs/dbraw/zinc/82/14/59/1071821459.db2.gz WTYCUJDVDOBVCU-CQSZACIVSA-N 1 1 383.474 -0.112 20 0 GBADMO CN(CCS(N)(=O)=O)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001673856929 1071821458 /nfs/dbraw/zinc/82/14/58/1071821458.db2.gz WTYCUJDVDOBVCU-CQSZACIVSA-N 1 1 383.474 -0.112 20 0 GBADMO COCCn1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ccc1=O ZINC001673999835 1071821549 /nfs/dbraw/zinc/82/15/49/1071821549.db2.gz UPYXWHXDPXVSJR-MAUKXSAKSA-N 1 1 380.445 -0.158 20 0 GBADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCCCS(N)(=O)=O)c2)CC1 ZINC001674000444 1071821298 /nfs/dbraw/zinc/82/12/98/1071821298.db2.gz FJHJWSYCKUIMMG-UHFFFAOYSA-N 1 1 383.518 -0.088 20 0 GBADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCCS(N)(=O)=O)cc2)CC1 ZINC001674000676 1071821348 /nfs/dbraw/zinc/82/13/48/1071821348.db2.gz MKAJWIIAEIWGHM-UHFFFAOYSA-N 1 1 397.501 -0.448 20 0 GBADMO CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001674069642 1071822299 /nfs/dbraw/zinc/82/22/99/1071822299.db2.gz VXVQJKQGIVQMDC-SUMWQHHRSA-N 1 1 380.449 -0.682 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC001674100200 1071823425 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C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC001674161217 1071823201 /nfs/dbraw/zinc/82/32/01/1071823201.db2.gz NAFXHYJIOWJJFY-ABAIWWIYSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001674161218 1071823305 /nfs/dbraw/zinc/82/33/05/1071823305.db2.gz NAFXHYJIOWJJFY-IAQYHMDHSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001674161218 1071823298 /nfs/dbraw/zinc/82/32/98/1071823298.db2.gz NAFXHYJIOWJJFY-IAQYHMDHSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC001674161218 1071823285 /nfs/dbraw/zinc/82/32/85/1071823285.db2.gz NAFXHYJIOWJJFY-IAQYHMDHSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC001674161219 1071822899 /nfs/dbraw/zinc/82/28/99/1071822899.db2.gz NAFXHYJIOWJJFY-NHYWBVRUSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC001674161219 1071822890 /nfs/dbraw/zinc/82/28/90/1071822890.db2.gz NAFXHYJIOWJJFY-NHYWBVRUSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC001674161219 1071822876 /nfs/dbraw/zinc/82/28/76/1071822876.db2.gz NAFXHYJIOWJJFY-NHYWBVRUSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001674161220 1071822993 /nfs/dbraw/zinc/82/29/93/1071822993.db2.gz NAFXHYJIOWJJFY-XHDPSFHLSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001674161220 1071822981 /nfs/dbraw/zinc/82/29/81/1071822981.db2.gz NAFXHYJIOWJJFY-XHDPSFHLSA-N 1 1 387.481 -0.093 20 0 GBADMO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC001674161220 1071822963 /nfs/dbraw/zinc/82/29/63/1071822963.db2.gz NAFXHYJIOWJJFY-XHDPSFHLSA-N 1 1 387.481 -0.093 20 0 GBADMO CNC(=O)c1n[nH]nc1NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC001674187201 1071824209 /nfs/dbraw/zinc/82/42/09/1071824209.db2.gz BMMWXLGMPSBNSU-GFCCVEGCSA-N 1 1 387.448 -0.109 20 0 GBADMO CNC(=O)c1n[nH]nc1NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC001674187202 1071824051 /nfs/dbraw/zinc/82/40/51/1071824051.db2.gz BMMWXLGMPSBNSU-LBPRGKRZSA-N 1 1 387.448 -0.109 20 0 GBADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CC(C(N)=O)C2)cc1 ZINC001674255615 1071823898 /nfs/dbraw/zinc/82/38/98/1071823898.db2.gz VWEIODSDDOSTPK-UHFFFAOYSA-N 1 1 388.472 -0.154 20 0 GBADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2csc(S(N)(=O)=O)c2)CC1 ZINC001674293616 1071823924 /nfs/dbraw/zinc/82/39/24/1071823924.db2.gz DOCCAIYRFRRQDS-UHFFFAOYSA-N 1 1 375.476 -0.273 20 0 GBADMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2csc(S(N)(=O)=O)c2)CC1 ZINC001674293968 1071824125 /nfs/dbraw/zinc/82/41/25/1071824125.db2.gz LQOFBNPROQGLFV-UHFFFAOYSA-N 1 1 375.476 -0.319 20 0 GBADMO COCCCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001674315089 1071825120 /nfs/dbraw/zinc/82/51/20/1071825120.db2.gz FBAIAIFVEREYFH-OCABDXPQSA-N 1 1 395.500 -0.494 20 0 GBADMO O=C(C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)NCC1CC1 ZINC001674315344 1071825201 /nfs/dbraw/zinc/82/52/01/1071825201.db2.gz KMCGERKLJAYZDJ-OCABDXPQSA-N 1 1 377.485 -0.121 20 0 GBADMO NS(=O)(=O)c1cccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1 ZINC001674347987 1071824781 /nfs/dbraw/zinc/82/47/81/1071824781.db2.gz VTPAKHROIZUVJN-XJKSGUPXSA-N 1 1 384.458 -0.319 20 0 GBADMO CC[NH+]1CCN(CCCCNC(=O)NCCn2cc(C(=O)OC)nn2)CC1 ZINC001674348865 1071824923 /nfs/dbraw/zinc/82/49/23/1071824923.db2.gz YQCHXVZOQUXABM-UHFFFAOYSA-N 1 1 381.481 -0.218 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001674394246 1071825910 /nfs/dbraw/zinc/82/59/10/1071825910.db2.gz BQPXPQWTNRYSMD-HNNXBMFYSA-N 1 1 396.492 -0.894 20 0 GBADMO CCOC(=O)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC12COC2 ZINC001674394256 1071826500 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YHHNSRIRXOWELI-DZGCQCFKSA-N 1 1 392.460 -0.338 20 0 GBADMO C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C(=O)N1c1cnn(C)c1 ZINC001676246751 1071848786 /nfs/dbraw/zinc/84/87/86/1071848786.db2.gz YHHNSRIRXOWELI-HIFRSBDPSA-N 1 1 392.460 -0.338 20 0 GBADMO C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C(=O)N1c1cnn(C)c1 ZINC001676246751 1071848781 /nfs/dbraw/zinc/84/87/81/1071848781.db2.gz YHHNSRIRXOWELI-HIFRSBDPSA-N 1 1 392.460 -0.338 20 0 GBADMO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C(=O)N1c1cnn(C)c1 ZINC001676246753 1071848676 /nfs/dbraw/zinc/84/86/76/1071848676.db2.gz YHHNSRIRXOWELI-UKRRQHHQSA-N 1 1 392.460 -0.338 20 0 GBADMO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C(=O)N1c1cnn(C)c1 ZINC001676246753 1071848669 /nfs/dbraw/zinc/84/86/69/1071848669.db2.gz YHHNSRIRXOWELI-UKRRQHHQSA-N 1 1 392.460 -0.338 20 0 GBADMO C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C(=O)N1c1cnn(C)c1 ZINC001676246755 1071848607 /nfs/dbraw/zinc/84/86/07/1071848607.db2.gz YHHNSRIRXOWELI-ZFWWWQNUSA-N 1 1 392.460 -0.338 20 0 GBADMO C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C(=O)N1c1cnn(C)c1 ZINC001676246755 1071848598 /nfs/dbraw/zinc/84/85/98/1071848598.db2.gz YHHNSRIRXOWELI-ZFWWWQNUSA-N 1 1 392.460 -0.338 20 0 GBADMO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001676251571 1071849544 /nfs/dbraw/zinc/84/95/44/1071849544.db2.gz IFJJGFUFBZQYGM-UHFFFAOYSA-N 1 1 398.485 -0.110 20 0 GBADMO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001676251571 1071849541 /nfs/dbraw/zinc/84/95/41/1071849541.db2.gz IFJJGFUFBZQYGM-UHFFFAOYSA-N 1 1 398.485 -0.110 20 0 GBADMO CS(=O)(=O)C[C@@H](O)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001676281972 1071849399 /nfs/dbraw/zinc/84/93/99/1071849399.db2.gz DEJFHWFMVDFFCW-INIZCTEOSA-N 1 1 399.517 -0.702 20 0 GBADMO CS(=O)(=O)C[C@H](O)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001676281973 1071849800 /nfs/dbraw/zinc/84/98/00/1071849800.db2.gz DEJFHWFMVDFFCW-MRXNPFEDSA-N 1 1 399.517 -0.702 20 0 GBADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CC2(C1)NC(=O)NC2=O ZINC001676282535 1071849676 /nfs/dbraw/zinc/84/96/76/1071849676.db2.gz QRJLEOXIMOETTE-UHFFFAOYSA-N 1 1 387.444 -0.803 20 0 GBADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001676338212 1071849471 /nfs/dbraw/zinc/84/94/71/1071849471.db2.gz NSJBRCOMNZEOHG-CVEARBPZSA-N 1 1 380.489 -0.088 20 0 GBADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001676338213 1071849526 /nfs/dbraw/zinc/84/95/26/1071849526.db2.gz NSJBRCOMNZEOHG-HOTGVXAUSA-N 1 1 380.489 -0.088 20 0 GBADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001676338214 1071849504 /nfs/dbraw/zinc/84/95/04/1071849504.db2.gz NSJBRCOMNZEOHG-HZPDHXFCSA-N 1 1 380.489 -0.088 20 0 GBADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001676338215 1071850736 /nfs/dbraw/zinc/85/07/36/1071850736.db2.gz NSJBRCOMNZEOHG-JKSUJKDBSA-N 1 1 380.489 -0.088 20 0 GBADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001676338585 1071850707 /nfs/dbraw/zinc/85/07/07/1071850707.db2.gz YEPWDAGILOCUDK-IPYPFGDCSA-N 1 1 384.477 -0.005 20 0 GBADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001676338586 1071850553 /nfs/dbraw/zinc/85/05/53/1071850553.db2.gz YEPWDAGILOCUDK-KCQAQPDRSA-N 1 1 384.477 -0.005 20 0 GBADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001676338587 1071850896 /nfs/dbraw/zinc/85/08/96/1071850896.db2.gz YEPWDAGILOCUDK-VNHYZAJKSA-N 1 1 384.477 -0.005 20 0 GBADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001676338588 1071850608 /nfs/dbraw/zinc/85/06/08/1071850608.db2.gz YEPWDAGILOCUDK-YDHLFZDLSA-N 1 1 384.477 -0.005 20 0 GBADMO C[NH+](C)CCOC1CCN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC1 ZINC001676353077 1071850729 /nfs/dbraw/zinc/85/07/29/1071850729.db2.gz NGHWWFCBQNURJO-UHFFFAOYSA-N 1 1 388.494 -0.399 20 0 GBADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)CC2)C1 ZINC001676353115 1071850799 /nfs/dbraw/zinc/85/07/99/1071850799.db2.gz OFWHGJHUFLUYMO-CYBMUJFWSA-N 1 1 399.521 -0.729 20 0 GBADMO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)CC2)C1 ZINC001676353115 1071850796 /nfs/dbraw/zinc/85/07/96/1071850796.db2.gz OFWHGJHUFLUYMO-CYBMUJFWSA-N 1 1 399.521 -0.729 20 0 GBADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)CC2)C1 ZINC001676353115 1071850793 /nfs/dbraw/zinc/85/07/93/1071850793.db2.gz OFWHGJHUFLUYMO-CYBMUJFWSA-N 1 1 399.521 -0.729 20 0 GBADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)CC2)C1 ZINC001676353116 1071850772 /nfs/dbraw/zinc/85/07/72/1071850772.db2.gz OFWHGJHUFLUYMO-ZDUSSCGKSA-N 1 1 399.521 -0.729 20 0 GBADMO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)CC2)C1 ZINC001676353116 1071850770 /nfs/dbraw/zinc/85/07/70/1071850770.db2.gz OFWHGJHUFLUYMO-ZDUSSCGKSA-N 1 1 399.521 -0.729 20 0 GBADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)CC2)C1 ZINC001676353116 1071850766 /nfs/dbraw/zinc/85/07/66/1071850766.db2.gz OFWHGJHUFLUYMO-ZDUSSCGKSA-N 1 1 399.521 -0.729 20 0 GBADMO O=C(NCCC(=O)N1CCOCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001676440602 1071851359 /nfs/dbraw/zinc/85/13/59/1071851359.db2.gz XAPUWPWPANYRDU-UHFFFAOYSA-N 1 1 384.477 -0.584 20 0 GBADMO CNS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC001676451292 1071851791 /nfs/dbraw/zinc/85/17/91/1071851791.db2.gz ASHKUCLAXTVDFX-UHFFFAOYSA-N 1 1 390.554 -0.760 20 0 GBADMO CC(C)[C@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)N1CC[NH+](C)CC1 ZINC001676456865 1071851475 /nfs/dbraw/zinc/85/14/75/1071851475.db2.gz AUEVIQXSCBYDQK-INIZCTEOSA-N 1 1 394.524 -0.272 20 0 GBADMO CC(C)[C@@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)N1CC[NH+](C)CC1 ZINC001676456868 1071852718 /nfs/dbraw/zinc/85/27/18/1071852718.db2.gz AUEVIQXSCBYDQK-MRXNPFEDSA-N 1 1 394.524 -0.272 20 0 GBADMO CC(C)[C@@H](CNC(=O)NCc1nnc2n1CCNC2=O)N1CC[NH+](C)CC1 ZINC001676466749 1071852478 /nfs/dbraw/zinc/85/24/78/1071852478.db2.gz UFNJITIDDDOBKE-CYBMUJFWSA-N 1 1 378.481 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CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001676545314 1071852282 /nfs/dbraw/zinc/85/22/82/1071852282.db2.gz GXOYUKJNZNLGMK-RXBISOJRSA-N 1 1 388.538 -0.152 20 0 GBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001676546215 1071852118 /nfs/dbraw/zinc/85/21/18/1071852118.db2.gz KJDWMADJDCFNHE-CYBMUJFWSA-N 1 1 389.522 -0.561 20 0 GBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001676546217 1071852647 /nfs/dbraw/zinc/85/26/47/1071852647.db2.gz KJDWMADJDCFNHE-ZDUSSCGKSA-N 1 1 389.522 -0.561 20 0 GBADMO CN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1nccs1 ZINC001676554600 1071852448 /nfs/dbraw/zinc/85/24/48/1071852448.db2.gz JYEQKLCWHGCWTG-PWNZVWSESA-N 1 1 382.486 -0.012 20 0 GBADMO CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1nccs1 ZINC001676554601 1071852358 /nfs/dbraw/zinc/85/23/58/1071852358.db2.gz JYEQKLCWHGCWTG-SFDCQRBFSA-N 1 1 382.486 -0.012 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@@H+](C)C1 ZINC001676588003 1071853951 /nfs/dbraw/zinc/85/39/51/1071853951.db2.gz NEIJCFPVDRXADR-CHWSQXEVSA-N 1 1 378.433 -0.493 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@@H+](C)C1 ZINC001676588015 1071853427 /nfs/dbraw/zinc/85/34/27/1071853427.db2.gz NEIJCFPVDRXADR-OLZOCXBDSA-N 1 1 378.433 -0.493 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@@H+](C)C1 ZINC001676588018 1071853816 /nfs/dbraw/zinc/85/38/16/1071853816.db2.gz NEIJCFPVDRXADR-QWHCGFSZSA-N 1 1 378.433 -0.493 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@@H+](C)C1 ZINC001676588020 1071853654 /nfs/dbraw/zinc/85/36/54/1071853654.db2.gz NEIJCFPVDRXADR-STQMWFEESA-N 1 1 378.433 -0.493 20 0 GBADMO CN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(O)(C(N)=O)CC3)cc2)CC1 ZINC001676607123 1071853460 /nfs/dbraw/zinc/85/34/60/1071853460.db2.gz YITXEYAILBXOEQ-UHFFFAOYSA-N 1 1 389.500 -0.044 20 0 GBADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC(C)(CO)CO)cc2)CC1 ZINC001676649164 1071854619 /nfs/dbraw/zinc/85/46/19/1071854619.db2.gz YBQZLLASJUIARE-UHFFFAOYSA-N 1 1 378.473 -0.136 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC[N@@H+](C)C1 ZINC001676741639 1071855608 /nfs/dbraw/zinc/85/56/08/1071855608.db2.gz SLQDYYDASZVQLF-JTQLQIEISA-N 1 1 390.487 -0.358 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC[N@@H+](C)C1 ZINC001676741640 1071855390 /nfs/dbraw/zinc/85/53/90/1071855390.db2.gz SLQDYYDASZVQLF-SNVBAGLBSA-N 1 1 390.487 -0.358 20 0 GBADMO CN1CCN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC[N@@H+](C)CC1 ZINC001676804838 1071856222 /nfs/dbraw/zinc/85/62/22/1071856222.db2.gz OHSDWBVKBQOQOM-AWEZNQCLSA-N 1 1 384.506 -0.046 20 0 GBADMO CN1CCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC[N@@H+](C)CC1 ZINC001676804839 1071856417 /nfs/dbraw/zinc/85/64/17/1071856417.db2.gz OHSDWBVKBQOQOM-CQSZACIVSA-N 1 1 384.506 -0.046 20 0 GBADMO CNS(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)nc1 ZINC001676810784 1071856512 /nfs/dbraw/zinc/85/65/12/1071856512.db2.gz RNTWSEXCGYORLR-BLLLJJGKSA-N 1 1 399.473 -0.663 20 0 GBADMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001676841849 1071857088 /nfs/dbraw/zinc/85/70/88/1071857088.db2.gz WXTRKAINPNWRTN-BETUJISGSA-N 1 1 377.449 -0.274 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CCCNC1=O ZINC001676891178 1071857016 /nfs/dbraw/zinc/85/70/16/1071857016.db2.gz HJGFKGCUBDIXBX-HNNXBMFYSA-N 1 1 375.477 -0.186 20 0 GBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CCCNC1=O ZINC001676891179 1071857133 /nfs/dbraw/zinc/85/71/33/1071857133.db2.gz HJGFKGCUBDIXBX-OAHLLOKOSA-N 1 1 375.477 -0.186 20 0 GBADMO CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001676898474 1071857071 /nfs/dbraw/zinc/85/70/71/1071857071.db2.gz LJCXAHQKAYOBDL-GASCZTMLSA-N 1 1 375.477 -0.106 20 0 GBADMO NC(=O)CC1CC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001676899708 1071857970 /nfs/dbraw/zinc/85/79/70/1071857970.db2.gz 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20 0 GBADMO CN(C[C@@H](O)C[N@@H+](C)CCCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001677173718 1071861205 /nfs/dbraw/zinc/86/12/05/1071861205.db2.gz BIPMHWNRXBAIJD-YJNKXOJESA-N 1 1 382.461 -0.753 20 0 GBADMO NC(=O)C1CCN(c2ncccc2CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC001677186045 1071860583 /nfs/dbraw/zinc/86/05/83/1071860583.db2.gz JHONOEVTKJGMOK-MRXNPFEDSA-N 1 1 390.488 -0.351 20 0 GBADMO O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001677331350 1071862875 /nfs/dbraw/zinc/86/28/75/1071862875.db2.gz MOFISYFRHKDXCQ-HNNXBMFYSA-N 1 1 396.492 -0.976 20 0 GBADMO O=C(NCCCN1C(=O)CNC1=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001677331352 1071863102 /nfs/dbraw/zinc/86/31/02/1071863102.db2.gz MOFISYFRHKDXCQ-OAHLLOKOSA-N 1 1 396.492 -0.976 20 0 GBADMO CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001677356580 1071863064 /nfs/dbraw/zinc/86/30/64/1071863064.db2.gz JDTLVAGLKMPVMZ-INIZCTEOSA-N 1 1 385.486 -0.277 20 0 GBADMO CS(=O)(=O)C[C@H](O)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001677356581 1071863017 /nfs/dbraw/zinc/86/30/17/1071863017.db2.gz JDTLVAGLKMPVMZ-MRXNPFEDSA-N 1 1 385.486 -0.277 20 0 GBADMO O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677377449 1071863114 /nfs/dbraw/zinc/86/31/14/1071863114.db2.gz JVQIHEOPINSFLY-CABCVRRESA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677377449 1071863111 /nfs/dbraw/zinc/86/31/11/1071863111.db2.gz JVQIHEOPINSFLY-CABCVRRESA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677377449 1071863108 /nfs/dbraw/zinc/86/31/08/1071863108.db2.gz JVQIHEOPINSFLY-CABCVRRESA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677377450 1071863002 /nfs/dbraw/zinc/86/30/02/1071863002.db2.gz JVQIHEOPINSFLY-GJZGRUSLSA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677377450 1071862997 /nfs/dbraw/zinc/86/29/97/1071862997.db2.gz JVQIHEOPINSFLY-GJZGRUSLSA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677377450 1071862994 /nfs/dbraw/zinc/86/29/94/1071862994.db2.gz JVQIHEOPINSFLY-GJZGRUSLSA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1n[nH]c([C@H]2CCCO2)n1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677377451 1071863083 /nfs/dbraw/zinc/86/30/83/1071863083.db2.gz JVQIHEOPINSFLY-HUUCEWRRSA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1n[nH]c([C@H]2CCCO2)n1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677377451 1071863081 /nfs/dbraw/zinc/86/30/81/1071863081.db2.gz JVQIHEOPINSFLY-HUUCEWRRSA-N 1 1 393.492 -0.138 20 0 GBADMO O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677377451 1071863080 /nfs/dbraw/zinc/86/30/80/1071863080.db2.gz JVQIHEOPINSFLY-HUUCEWRRSA-N 1 1 393.492 -0.138 20 0 GBADMO 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ATBDBPLLRBMRQY-HRCADAONSA-N 1 1 378.473 -0.403 20 0 GBADMO COCC[N@@H+](C)CCNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001678362011 1071874982 /nfs/dbraw/zinc/87/49/82/1071874982.db2.gz WSEDSMFRXJVUOM-UHFFFAOYSA-N 1 1 381.355 -0.111 20 0 GBADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678369671 1071875069 /nfs/dbraw/zinc/87/50/69/1071875069.db2.gz DYPQSHWSTSTLHT-AWEZNQCLSA-N 1 1 376.523 -0.797 20 0 GBADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678369671 1071875063 /nfs/dbraw/zinc/87/50/63/1071875063.db2.gz DYPQSHWSTSTLHT-AWEZNQCLSA-N 1 1 376.523 -0.797 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678369672 1071875035 /nfs/dbraw/zinc/87/50/35/1071875035.db2.gz DYPQSHWSTSTLHT-CQSZACIVSA-N 1 1 376.523 -0.797 20 0 GBADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678369672 1071875030 /nfs/dbraw/zinc/87/50/30/1071875030.db2.gz DYPQSHWSTSTLHT-CQSZACIVSA-N 1 1 376.523 -0.797 20 0 GBADMO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001678378409 1071875112 /nfs/dbraw/zinc/87/51/12/1071875112.db2.gz ZQPBTBFTGAUFKD-CVEARBPZSA-N 1 1 388.534 -0.054 20 0 GBADMO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001678378410 1071874937 /nfs/dbraw/zinc/87/49/37/1071874937.db2.gz ZQPBTBFTGAUFKD-HOTGVXAUSA-N 1 1 388.534 -0.054 20 0 GBADMO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001678378411 1071874962 /nfs/dbraw/zinc/87/49/62/1071874962.db2.gz ZQPBTBFTGAUFKD-HZPDHXFCSA-N 1 1 388.534 -0.054 20 0 GBADMO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001678378412 1071874550 /nfs/dbraw/zinc/87/45/50/1071874550.db2.gz ZQPBTBFTGAUFKD-JKSUJKDBSA-N 1 1 388.534 -0.054 20 0 GBADMO C[C@@H]1[C@H](C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC[N@H+]1C ZINC001678397478 1071875588 /nfs/dbraw/zinc/87/55/88/1071875588.db2.gz HRZCIQDTIHYILD-KLHDSHLOSA-N 1 1 389.500 -0.057 20 0 GBADMO 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AEFGNBVZLDOMII-UHFFFAOYSA-N 1 1 379.465 -0.498 20 0 GBADMO C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1CS(N)(=O)=O ZINC001678604370 1071880507 /nfs/dbraw/zinc/88/05/07/1071880507.db2.gz GXBIIZVUWAINBK-OLZOCXBDSA-N 1 1 389.522 -0.895 20 0 GBADMO COC(=O)c1cc(C2CN(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)C2)[nH]n1 ZINC001678604818 1071880426 /nfs/dbraw/zinc/88/04/26/1071880426.db2.gz ORFQLPHDISAAOM-UHFFFAOYSA-N 1 1 392.460 -0.142 20 0 GBADMO CS(=O)(=O)CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001678662025 1071881594 /nfs/dbraw/zinc/88/15/94/1071881594.db2.gz CCRMPNZTXGTGIJ-INIZCTEOSA-N 1 1 390.550 -0.359 20 0 GBADMO CS(=O)(=O)CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001678662026 1071881204 /nfs/dbraw/zinc/88/12/04/1071881204.db2.gz CCRMPNZTXGTGIJ-MRXNPFEDSA-N 1 1 390.550 -0.359 20 0 GBADMO C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@@H](C)C[N@H+]1CCO ZINC001678663420 1071881153 /nfs/dbraw/zinc/88/11/53/1071881153.db2.gz XERISYWCUGHVCR-CABCVRRESA-N 1 1 390.550 -0.408 20 0 GBADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678663421 1071881526 /nfs/dbraw/zinc/88/15/26/1071881526.db2.gz XERISYWCUGHVCR-GJZGRUSLSA-N 1 1 390.550 -0.408 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678663422 1071881080 /nfs/dbraw/zinc/88/10/80/1071881080.db2.gz XERISYWCUGHVCR-HUUCEWRRSA-N 1 1 390.550 -0.408 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678663423 1071881482 /nfs/dbraw/zinc/88/14/82/1071881482.db2.gz XERISYWCUGHVCR-LSDHHAIUSA-N 1 1 390.550 -0.408 20 0 GBADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC001678713537 1071882298 /nfs/dbraw/zinc/88/22/98/1071882298.db2.gz NQHCGURCWXQZJX-ZDUSSCGKSA-N 1 1 394.563 -0.491 20 0 GBADMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)CC2 ZINC001678775138 1071882228 /nfs/dbraw/zinc/88/22/28/1071882228.db2.gz FDUUGOHAXDBDHO-CHWSQXEVSA-N 1 1 380.449 -0.515 20 0 GBADMO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)CC2 ZINC001678775139 1071882202 /nfs/dbraw/zinc/88/22/02/1071882202.db2.gz FDUUGOHAXDBDHO-OLZOCXBDSA-N 1 1 380.449 -0.515 20 0 GBADMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)CC2 ZINC001678775140 1071882086 /nfs/dbraw/zinc/88/20/86/1071882086.db2.gz FDUUGOHAXDBDHO-QWHCGFSZSA-N 1 1 380.449 -0.515 20 0 GBADMO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)CC2 ZINC001678775141 1071882468 /nfs/dbraw/zinc/88/24/68/1071882468.db2.gz FDUUGOHAXDBDHO-STQMWFEESA-N 1 1 380.449 -0.515 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678782325 1071882354 /nfs/dbraw/zinc/88/23/54/1071882354.db2.gz HIJNETDDKGIYFE-AWEZNQCLSA-N 1 1 390.492 -0.167 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678782326 1071882529 /nfs/dbraw/zinc/88/25/29/1071882529.db2.gz HIJNETDDKGIYFE-CQSZACIVSA-N 1 1 390.492 -0.167 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678791198 1071882585 /nfs/dbraw/zinc/88/25/85/1071882585.db2.gz TUUAIWFQZPPACL-CYBMUJFWSA-N 1 1 376.465 -0.510 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678791199 1071882127 /nfs/dbraw/zinc/88/21/27/1071882127.db2.gz TUUAIWFQZPPACL-ZDUSSCGKSA-N 1 1 376.465 -0.510 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001678791683 1071883443 /nfs/dbraw/zinc/88/34/43/1071883443.db2.gz YRSNIRWPIFVFQS-ILXRZTDVSA-N 1 1 385.509 -0.375 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001678791685 1071883508 /nfs/dbraw/zinc/88/35/08/1071883508.db2.gz YRSNIRWPIFVFQS-KKUMJFAQSA-N 1 1 385.509 -0.375 20 0 GBADMO C[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC001678816331 1071883477 /nfs/dbraw/zinc/88/34/77/1071883477.db2.gz AIERKXYTTLEDHL-GDBMZVCRSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC001678816331 1071883470 /nfs/dbraw/zinc/88/34/70/1071883470.db2.gz AIERKXYTTLEDHL-GDBMZVCRSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC001678816332 1071883394 /nfs/dbraw/zinc/88/33/94/1071883394.db2.gz AIERKXYTTLEDHL-GOEBONIOSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC001678816332 1071883387 /nfs/dbraw/zinc/88/33/87/1071883387.db2.gz AIERKXYTTLEDHL-GOEBONIOSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001678816333 1071883186 /nfs/dbraw/zinc/88/31/86/1071883186.db2.gz AIERKXYTTLEDHL-HOCLYGCPSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC001678816333 1071883171 /nfs/dbraw/zinc/88/31/71/1071883171.db2.gz AIERKXYTTLEDHL-HOCLYGCPSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001678816334 1071883409 /nfs/dbraw/zinc/88/34/09/1071883409.db2.gz AIERKXYTTLEDHL-ZBFHGGJFSA-N 1 1 391.472 -0.563 20 0 GBADMO C[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC001678816334 1071883404 /nfs/dbraw/zinc/88/34/04/1071883404.db2.gz AIERKXYTTLEDHL-ZBFHGGJFSA-N 1 1 391.472 -0.563 20 0 GBADMO CCOC(=O)Cn1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001678824372 1071883245 /nfs/dbraw/zinc/88/32/45/1071883245.db2.gz GRLIHPCIJUZQLP-SUMWQHHRSA-N 1 1 381.433 -0.207 20 0 GBADMO CCCN1C[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956395 1071884424 /nfs/dbraw/zinc/88/44/24/1071884424.db2.gz DAMDNEZFOPQQHP-DLBZAZTESA-N 1 1 381.521 -0.049 20 0 GBADMO CCCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956396 1071884282 /nfs/dbraw/zinc/88/42/82/1071884282.db2.gz DAMDNEZFOPQQHP-IAGOWNOFSA-N 1 1 381.521 -0.049 20 0 GBADMO CCCN1C[C@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956397 1071884397 /nfs/dbraw/zinc/88/43/97/1071884397.db2.gz DAMDNEZFOPQQHP-IRXDYDNUSA-N 1 1 381.521 -0.049 20 0 GBADMO CCCN1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956398 1071884410 /nfs/dbraw/zinc/88/44/10/1071884410.db2.gz DAMDNEZFOPQQHP-SJORKVTESA-N 1 1 381.521 -0.049 20 0 GBADMO CCOC(=O)[C@@H](F)C1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956557 1071884362 /nfs/dbraw/zinc/88/43/62/1071884362.db2.gz IFVHNVHUILNCAO-CVEARBPZSA-N 1 1 386.468 -0.065 20 0 GBADMO CCOC(=O)[C@@H](F)C1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956558 1071884089 /nfs/dbraw/zinc/88/40/89/1071884089.db2.gz IFVHNVHUILNCAO-HOTGVXAUSA-N 1 1 386.468 -0.065 20 0 GBADMO CCOC(=O)[C@H](F)C1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956559 1071884024 /nfs/dbraw/zinc/88/40/24/1071884024.db2.gz IFVHNVHUILNCAO-HZPDHXFCSA-N 1 1 386.468 -0.065 20 0 GBADMO CCOC(=O)[C@H](F)C1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956560 1071884228 /nfs/dbraw/zinc/88/42/28/1071884228.db2.gz IFVHNVHUILNCAO-JKSUJKDBSA-N 1 1 386.468 -0.065 20 0 GBADMO CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956706 1071884193 /nfs/dbraw/zinc/88/41/93/1071884193.db2.gz LXCADCITDUXISH-DLBZAZTESA-N 1 1 396.536 -0.162 20 0 GBADMO CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956707 1071884863 /nfs/dbraw/zinc/88/48/63/1071884863.db2.gz LXCADCITDUXISH-IAGOWNOFSA-N 1 1 396.536 -0.162 20 0 GBADMO CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956708 1071885030 /nfs/dbraw/zinc/88/50/30/1071885030.db2.gz LXCADCITDUXISH-IRXDYDNUSA-N 1 1 396.536 -0.162 20 0 GBADMO CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001678956709 1071884940 /nfs/dbraw/zinc/88/49/40/1071884940.db2.gz LXCADCITDUXISH-SJORKVTESA-N 1 1 396.536 -0.162 20 0 GBADMO CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(=O)[nH]c1=O ZINC001678957396 1071884920 /nfs/dbraw/zinc/88/49/20/1071884920.db2.gz ZCGLILBJDGTAEU-HNNXBMFYSA-N 1 1 394.476 -0.826 20 0 GBADMO CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(=O)[nH]c1=O ZINC001678957397 1071885333 /nfs/dbraw/zinc/88/53/33/1071885333.db2.gz ZCGLILBJDGTAEU-OAHLLOKOSA-N 1 1 394.476 -0.826 20 0 GBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001678957435 1071885360 /nfs/dbraw/zinc/88/53/60/1071885360.db2.gz ZVWQIBNFZWOIDX-ARFHVFGLSA-N 1 1 381.477 -0.467 20 0 GBADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001678957436 1071885419 /nfs/dbraw/zinc/88/54/19/1071885419.db2.gz ZVWQIBNFZWOIDX-HRCADAONSA-N 1 1 381.477 -0.467 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001678959105 1071884996 /nfs/dbraw/zinc/88/49/96/1071884996.db2.gz ILUBXAUJGOODBU-KFWWJZLASA-N 1 1 386.518 -0.065 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001678959106 1071885399 /nfs/dbraw/zinc/88/53/99/1071885399.db2.gz ILUBXAUJGOODBU-ZNMIVQPWSA-N 1 1 386.518 -0.065 20 0 GBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC001678959962 1071884893 /nfs/dbraw/zinc/88/48/93/1071884893.db2.gz UICORMHIVOAIJR-HNNXBMFYSA-N 1 1 383.493 -0.896 20 0 GBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC001678959963 1071884880 /nfs/dbraw/zinc/88/48/80/1071884880.db2.gz UICORMHIVOAIJR-OAHLLOKOSA-N 1 1 383.493 -0.896 20 0 GBADMO COCc1nnc2n1CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC001678960176 1071885276 /nfs/dbraw/zinc/88/52/76/1071885276.db2.gz XFJZOZYDCIRKPU-CYBMUJFWSA-N 1 1 379.465 -0.463 20 0 GBADMO COCc1nnc2n1CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC001678960177 1071884868 /nfs/dbraw/zinc/88/48/68/1071884868.db2.gz XFJZOZYDCIRKPU-ZDUSSCGKSA-N 1 1 379.465 -0.463 20 0 GBADMO CNS(=O)(=O)C1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001678970132 1071884959 /nfs/dbraw/zinc/88/49/59/1071884959.db2.gz NRDAYRRWBYFJQJ-UHFFFAOYSA-N 1 1 375.539 -0.263 20 0 GBADMO CCN1CC[NH+](CC(C)(C)NC(=O)NCCOCCS(C)(=O)=O)CC1 ZINC001679022125 1071885197 /nfs/dbraw/zinc/88/51/97/1071885197.db2.gz LGXYHVZPGSDYFD-UHFFFAOYSA-N 1 1 378.539 -0.237 20 0 GBADMO C[NH+]1CCN(C2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)CC1 ZINC001679048459 1071886053 /nfs/dbraw/zinc/88/60/53/1071886053.db2.gz BLKLIWOXSDMDPQ-UHFFFAOYSA-N 1 1 376.461 -0.423 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+](C)C1 ZINC001679083960 1071886077 /nfs/dbraw/zinc/88/60/77/1071886077.db2.gz ISIYGFMQJPOQDD-CHWSQXEVSA-N 1 1 376.479 -0.986 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+](C)C1 ZINC001679083967 1071886119 /nfs/dbraw/zinc/88/61/19/1071886119.db2.gz ISIYGFMQJPOQDD-OLZOCXBDSA-N 1 1 376.479 -0.986 20 0 GBADMO COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+](C)C1 ZINC001679083969 1071885840 /nfs/dbraw/zinc/88/58/40/1071885840.db2.gz ISIYGFMQJPOQDD-QWHCGFSZSA-N 1 1 376.479 -0.986 20 0 GBADMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+](C)C1 ZINC001679083970 1071886234 /nfs/dbraw/zinc/88/62/34/1071886234.db2.gz ISIYGFMQJPOQDD-STQMWFEESA-N 1 1 376.479 -0.986 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097872 1071885916 /nfs/dbraw/zinc/88/59/16/1071885916.db2.gz ULFPCEVHRAGABK-GDBMZVCRSA-N 1 1 376.523 -0.891 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097873 1071886169 /nfs/dbraw/zinc/88/61/69/1071886169.db2.gz ULFPCEVHRAGABK-GOEBONIOSA-N 1 1 376.523 -0.891 20 0 GBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097874 1071886105 /nfs/dbraw/zinc/88/61/05/1071886105.db2.gz ULFPCEVHRAGABK-HOCLYGCPSA-N 1 1 376.523 -0.891 20 0 GBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001679097875 1071886145 /nfs/dbraw/zinc/88/61/45/1071886145.db2.gz ULFPCEVHRAGABK-ZBFHGGJFSA-N 1 1 376.523 -0.891 20 0 GBADMO C[C@@H](CNC(=O)NCCc1nnc2c(=O)n(C)ccn12)CN1CC[NH+](C)CC1 ZINC001679098054 1071886039 /nfs/dbraw/zinc/88/60/39/1071886039.db2.gz WNVWQIXZJUNWEM-AWEZNQCLSA-N 1 1 390.492 -0.847 20 0 GBADMO C[C@H](CNC(=O)NCCc1nnc2c(=O)n(C)ccn12)CN1CC[NH+](C)CC1 ZINC001679098055 1071886311 /nfs/dbraw/zinc/88/63/11/1071886311.db2.gz WNVWQIXZJUNWEM-CQSZACIVSA-N 1 1 390.492 -0.847 20 0 GBADMO C[C@@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)CN1CC[NH+](C)CC1 ZINC001679098153 1071886270 /nfs/dbraw/zinc/88/62/70/1071886270.db2.gz YIHVZVCKBFJKHI-AWEZNQCLSA-N 1 1 380.497 -0.660 20 0 GBADMO C[C@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)CN1CC[NH+](C)CC1 ZINC001679098154 1071886195 /nfs/dbraw/zinc/88/61/95/1071886195.db2.gz YIHVZVCKBFJKHI-CQSZACIVSA-N 1 1 380.497 -0.660 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC001679175428 1071886897 /nfs/dbraw/zinc/88/68/97/1071886897.db2.gz GDMGGFRWXQDUSZ-HNNXBMFYSA-N 1 1 383.493 -0.788 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001679176193 1071886859 /nfs/dbraw/zinc/88/68/59/1071886859.db2.gz LBHXSUJNNCBLGV-INIZCTEOSA-N 1 1 383.493 -0.787 20 0 GBADMO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001679176194 1071886878 /nfs/dbraw/zinc/88/68/78/1071886878.db2.gz LBHXSUJNNCBLGV-MRXNPFEDSA-N 1 1 383.493 -0.787 20 0 GBADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001679233982 1071888053 /nfs/dbraw/zinc/88/80/53/1071888053.db2.gz VMHRSQRKONIAJC-GFCCVEGCSA-N 1 1 398.476 -0.041 20 0 GBADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001679233982 1071888044 /nfs/dbraw/zinc/88/80/44/1071888044.db2.gz VMHRSQRKONIAJC-GFCCVEGCSA-N 1 1 398.476 -0.041 20 0 GBADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001679233983 1071887968 /nfs/dbraw/zinc/88/79/68/1071887968.db2.gz VMHRSQRKONIAJC-LBPRGKRZSA-N 1 1 398.476 -0.041 20 0 GBADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001679233983 1071887958 /nfs/dbraw/zinc/88/79/58/1071887958.db2.gz 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COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC001679295550 1071888760 /nfs/dbraw/zinc/88/87/60/1071888760.db2.gz KHIPVXNWBOUZPP-AWEZNQCLSA-N 1 1 390.492 -0.117 20 0 GBADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC001679295551 1071888532 /nfs/dbraw/zinc/88/85/32/1071888532.db2.gz KHIPVXNWBOUZPP-CQSZACIVSA-N 1 1 390.492 -0.117 20 0 GBADMO Cc1cc(N2CCC(NC(=O)NC[C@H]3CC(C(N)=O)=NO3)CC2)nc(C)[nH+]1 ZINC001679504131 1071891386 /nfs/dbraw/zinc/89/13/86/1071891386.db2.gz JKEVUDMUTVUGQP-CYBMUJFWSA-N 1 1 375.433 -0.008 20 0 GBADMO Cc1cc(N2CCC(NC(=O)NC[C@@H]3CC(C(N)=O)=NO3)CC2)nc(C)[nH+]1 ZINC001679504132 1071891361 /nfs/dbraw/zinc/89/13/61/1071891361.db2.gz JKEVUDMUTVUGQP-ZDUSSCGKSA-N 1 1 375.433 -0.008 20 0 GBADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCCS(N)(=O)=O ZINC001679511381 1071891250 /nfs/dbraw/zinc/89/12/50/1071891250.db2.gz ALOIPPWQNVESBU-HNNXBMFYSA-N 1 1 398.533 -0.040 20 0 GBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCCS(N)(=O)=O 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ZINC001680628276 1071908607 /nfs/dbraw/zinc/90/86/07/1071908607.db2.gz QAWBHJDRXQJKDW-UHFFFAOYSA-N 1 1 392.464 -0.760 20 0 GBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001680631755 1071908669 /nfs/dbraw/zinc/90/86/69/1071908669.db2.gz BISYLYPRVSPPPG-ZDUSSCGKSA-N 1 1 392.464 -0.630 20 0 GBADMO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001680632084 1071908549 /nfs/dbraw/zinc/90/85/49/1071908549.db2.gz NJPWGFIPARWGJI-AWEZNQCLSA-N 1 1 379.465 -0.123 20 0 GBADMO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001680632085 1071908243 /nfs/dbraw/zinc/90/82/43/1071908243.db2.gz NJPWGFIPARWGJI-CQSZACIVSA-N 1 1 379.465 -0.123 20 0 GBADMO O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001680809690 1071911365 /nfs/dbraw/zinc/91/13/65/1071911365.db2.gz LIUXUUWBZUUBOZ-HNNXBMFYSA-N 1 1 397.501 -0.088 20 0 GBADMO O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001680809692 1071911560 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COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCCNS(=O)(=O)N(C)C)cc1 ZINC001682734636 1071939985 /nfs/dbraw/zinc/93/99/85/1071939985.db2.gz SSDOAUGOOUBJEF-HNNXBMFYSA-N 1 1 399.517 -0.035 20 0 GBADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCCNS(=O)(=O)N(C)C)cc1 ZINC001682734636 1071939984 /nfs/dbraw/zinc/93/99/84/1071939984.db2.gz SSDOAUGOOUBJEF-HNNXBMFYSA-N 1 1 399.517 -0.035 20 0 GBADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCCNS(=O)(=O)N(C)C)cc1 ZINC001682734637 1071939974 /nfs/dbraw/zinc/93/99/74/1071939974.db2.gz SSDOAUGOOUBJEF-OAHLLOKOSA-N 1 1 399.517 -0.035 20 0 GBADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCCNS(=O)(=O)N(C)C)cc1 ZINC001682734637 1071939970 /nfs/dbraw/zinc/93/99/70/1071939970.db2.gz SSDOAUGOOUBJEF-OAHLLOKOSA-N 1 1 399.517 -0.035 20 0 GBADMO NS(=O)(=O)CCCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001682736198 1071939939 /nfs/dbraw/zinc/93/99/39/1071939939.db2.gz GDVRDQIUIGSFHF-MRXNPFEDSA-N 1 1 384.502 -0.227 20 0 GBADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC001682742637 1071939997 /nfs/dbraw/zinc/93/99/97/1071939997.db2.gz IXUPFEVEFPUZOU-KBPBESRZSA-N 1 1 388.476 -0.153 20 0 GBADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC001682742638 1071939825 /nfs/dbraw/zinc/93/98/25/1071939825.db2.gz IXUPFEVEFPUZOU-UONOGXRCSA-N 1 1 388.476 -0.153 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC001682743655 1071939846 /nfs/dbraw/zinc/93/98/46/1071939846.db2.gz OCFFVPUMMOFZQA-ILXRZTDVSA-N 1 1 388.476 -0.201 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)[C@@H](C)C1 ZINC001682743656 1071939789 /nfs/dbraw/zinc/93/97/89/1071939789.db2.gz OCFFVPUMMOFZQA-KKUMJFAQSA-N 1 1 388.476 -0.201 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC001682743657 1071940626 /nfs/dbraw/zinc/94/06/26/1071940626.db2.gz OCFFVPUMMOFZQA-QLFBSQMISA-N 1 1 388.476 -0.201 20 0 GBADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H](C)C1 ZINC001682743658 1071940819 /nfs/dbraw/zinc/94/08/19/1071940819.db2.gz OCFFVPUMMOFZQA-SOUVJXGZSA-N 1 1 388.476 -0.201 20 0 GBADMO CN(C)S(=O)(=O)CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001682840841 1071940608 /nfs/dbraw/zinc/94/06/08/1071940608.db2.gz LOCUAYWBCIFMRS-UHFFFAOYSA-N 1 1 378.495 -0.942 20 0 GBADMO CN(OCC(F)(F)F)C(=O)CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001682870981 1071941363 /nfs/dbraw/zinc/94/13/63/1071941363.db2.gz HVQZEPIMWCHUPY-SMDDNHRTSA-N 1 1 398.382 -0.536 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CNS(=O)(=O)CC)C[C@H]2C)CC[N@H+]1C ZINC001682892495 1071941577 /nfs/dbraw/zinc/94/15/77/1071941577.db2.gz ATUSTXYNHIUJOH-LXTVHRRPSA-N 1 1 388.534 -0.381 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCNC(=O)COC)C2)CC[N@H+]1C ZINC001682909048 1071941454 /nfs/dbraw/zinc/94/14/54/1071941454.db2.gz KLZLSEQJMGQSDL-QKPAOTATSA-N 1 1 382.505 -0.168 20 0 GBADMO CN1CCN(C(=O)C2CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC001682924854 1071942353 /nfs/dbraw/zinc/94/23/53/1071942353.db2.gz YVFDNZLNIFRMHP-UHFFFAOYSA-N 1 1 381.521 -0.096 20 0 GBADMO C[N@H+]1CC[C@@H]1CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001682991856 1071942249 /nfs/dbraw/zinc/94/22/49/1071942249.db2.gz IKNVSHQNDFFAML-CYBMUJFWSA-N 1 1 396.469 -0.166 20 0 GBADMO C[N@H+]1CC[C@H]1CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001682991857 1071942291 /nfs/dbraw/zinc/94/22/91/1071942291.db2.gz IKNVSHQNDFFAML-ZDUSSCGKSA-N 1 1 396.469 -0.166 20 0 GBADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001683009166 1071942992 /nfs/dbraw/zinc/94/29/92/1071942992.db2.gz TWNZGOZYYHUDCW-MIGQKNRLSA-N 1 1 391.472 -0.032 20 0 GBADMO O=C(NCCS(=O)(=O)NC1CC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001683027251 1071943829 /nfs/dbraw/zinc/94/38/29/1071943829.db2.gz OHTBMPDDCZGPBJ-UHFFFAOYSA-N 1 1 390.506 -0.751 20 0 GBADMO NC(=O)NC[C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683027414 1071943722 /nfs/dbraw/zinc/94/37/22/1071943722.db2.gz RLYLPYMWWDMGAA-HNNXBMFYSA-N 1 1 383.493 -0.042 20 0 GBADMO NC(=O)NC[C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001683027415 1071943968 /nfs/dbraw/zinc/94/39/68/1071943968.db2.gz RLYLPYMWWDMGAA-OAHLLOKOSA-N 1 1 383.493 -0.042 20 0 GBADMO CS(=O)(=O)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001683027421 1071944078 /nfs/dbraw/zinc/94/40/78/1071944078.db2.gz RSGCDFPQDPHKAL-UHFFFAOYSA-N 1 1 390.506 -0.845 20 0 GBADMO CN(C)C(=O)CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001683027505 1071943889 /nfs/dbraw/zinc/94/38/89/1071943889.db2.gz UJMOLBQWUWJORC-UHFFFAOYSA-N 1 1 397.520 -0.717 20 0 GBADMO CC(C)(CNS(C)(=O)=O)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001683031308 1071943777 /nfs/dbraw/zinc/94/37/77/1071943777.db2.gz MDDMUVIUNWZBJA-UHFFFAOYSA-N 1 1 392.522 -0.505 20 0 GBADMO CNC(=O)NC[C@H]1COCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001683031836 1071944020 /nfs/dbraw/zinc/94/40/20/1071944020.db2.gz UMFVDYLCIDLGRA-HNNXBMFYSA-N 1 1 399.492 -0.793 20 0 GBADMO CNC(=O)NC[C@@H]1COCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001683031837 1071944038 /nfs/dbraw/zinc/94/40/38/1071944038.db2.gz UMFVDYLCIDLGRA-OAHLLOKOSA-N 1 1 399.492 -0.793 20 0 GBADMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1S(N)(=O)=O ZINC001683055066 1071944068 /nfs/dbraw/zinc/94/40/68/1071944068.db2.gz SBPPEHVSLQXUMR-GXTWGEPZSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1S(N)(=O)=O ZINC001683055066 1071944066 /nfs/dbraw/zinc/94/40/66/1071944066.db2.gz SBPPEHVSLQXUMR-GXTWGEPZSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055066 1071944057 /nfs/dbraw/zinc/94/40/57/1071944057.db2.gz SBPPEHVSLQXUMR-GXTWGEPZSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1S(N)(=O)=O ZINC001683055067 1071943955 /nfs/dbraw/zinc/94/39/55/1071943955.db2.gz SBPPEHVSLQXUMR-JSGCOSHPSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1S(N)(=O)=O ZINC001683055067 1071943950 /nfs/dbraw/zinc/94/39/50/1071943950.db2.gz SBPPEHVSLQXUMR-JSGCOSHPSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055067 1071943942 /nfs/dbraw/zinc/94/39/42/1071943942.db2.gz SBPPEHVSLQXUMR-JSGCOSHPSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1S(N)(=O)=O ZINC001683055068 1071943928 /nfs/dbraw/zinc/94/39/28/1071943928.db2.gz SBPPEHVSLQXUMR-OCCSQVGLSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1S(N)(=O)=O ZINC001683055068 1071943919 /nfs/dbraw/zinc/94/39/19/1071943919.db2.gz SBPPEHVSLQXUMR-OCCSQVGLSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055068 1071943909 /nfs/dbraw/zinc/94/39/09/1071943909.db2.gz SBPPEHVSLQXUMR-OCCSQVGLSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1S(N)(=O)=O ZINC001683055069 1071943674 /nfs/dbraw/zinc/94/36/74/1071943674.db2.gz SBPPEHVSLQXUMR-TZMCWYRMSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1S(N)(=O)=O ZINC001683055069 1071943669 /nfs/dbraw/zinc/94/36/69/1071943669.db2.gz SBPPEHVSLQXUMR-TZMCWYRMSA-N 1 1 399.517 -0.224 20 0 GBADMO COc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055069 1071943660 /nfs/dbraw/zinc/94/36/60/1071943660.db2.gz SBPPEHVSLQXUMR-TZMCWYRMSA-N 1 1 399.517 -0.224 20 0 GBADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C2)CC[N@H+]1C ZINC001683059770 1071943984 /nfs/dbraw/zinc/94/39/84/1071943984.db2.gz OQLMHXGQSUXMDS-LXTVHRRPSA-N 1 1 388.534 -0.252 20 0 GBADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)C1 ZINC001683098258 1071944728 /nfs/dbraw/zinc/94/47/28/1071944728.db2.gz CRISKQHRTHTSOF-HNNXBMFYSA-N 1 1 392.508 -0.421 20 0 GBADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)C1 ZINC001683098259 1071944697 /nfs/dbraw/zinc/94/46/97/1071944697.db2.gz CRISKQHRTHTSOF-OAHLLOKOSA-N 1 1 392.508 -0.421 20 0 GBADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCCn2cc(C(N)=O)nn2)C[C@H](C)O1 ZINC001683098875 1071944574 /nfs/dbraw/zinc/94/45/74/1071944574.db2.gz XQYOIYOITNBNLU-OKILXGFUSA-N 1 1 381.481 -0.092 20 0 GBADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCCn2cc(C(N)=O)nn2)C[C@H](C)O1 ZINC001683098875 1071944568 /nfs/dbraw/zinc/94/45/68/1071944568.db2.gz XQYOIYOITNBNLU-OKILXGFUSA-N 1 1 381.481 -0.092 20 0 GBADMO Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001683153733 1071945425 /nfs/dbraw/zinc/94/54/25/1071945425.db2.gz TXSPXXJBGCMDNP-SZOQZIPDSA-N 1 1 381.433 -0.267 20 0 GBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCS(=O)(=O)C3CC3)CC2)CC1 ZINC001683166653 1071946228 /nfs/dbraw/zinc/94/62/28/1071946228.db2.gz ZPWXNYMPOLPXIW-UHFFFAOYSA-N 1 1 386.518 -0.241 20 0 GBADMO CCN1C(=S)N=NC1CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001683205117 1071946981 /nfs/dbraw/zinc/94/69/81/1071946981.db2.gz ONHWOSDIXQQVME-BLLLJJGKSA-N 1 1 384.506 -0.346 20 0 GBADMO 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1072213228 /nfs/dbraw/zinc/21/32/28/1072213228.db2.gz IIQZZINMUYUWQP-RLFYNMQTSA-N 1 1 380.489 -0.412 20 0 GBADMO CCC[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)N1CCNC(=O)C1 ZINC001691186173 1072213223 /nfs/dbraw/zinc/21/32/23/1072213223.db2.gz IIQZZINMUYUWQP-RLFYNMQTSA-N 1 1 380.489 -0.412 20 0 GBADMO CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001691361336 1072253549 /nfs/dbraw/zinc/25/35/49/1072253549.db2.gz GIIAZNAHBXLUNL-AWEZNQCLSA-N 1 1 378.477 -0.194 20 0 GBADMO CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001691361336 1072253541 /nfs/dbraw/zinc/25/35/41/1072253541.db2.gz GIIAZNAHBXLUNL-AWEZNQCLSA-N 1 1 378.477 -0.194 20 0 GBADMO CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001691361337 1072254506 /nfs/dbraw/zinc/25/45/06/1072254506.db2.gz GIIAZNAHBXLUNL-CQSZACIVSA-N 1 1 378.477 -0.194 20 0 GBADMO CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001691361337 1072254503 /nfs/dbraw/zinc/25/45/03/1072254503.db2.gz GIIAZNAHBXLUNL-CQSZACIVSA-N 1 1 378.477 -0.194 20 0 GBADMO CCN(C)C(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001691421702 1072261141 /nfs/dbraw/zinc/26/11/41/1072261141.db2.gz MLLJOJLGSLXUGC-MCIONIFRSA-N 1 1 377.445 -0.066 20 0 GBADMO CCN(C)C(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001691422047 1072261024 /nfs/dbraw/zinc/26/10/24/1072261024.db2.gz SXIDFPOZMWACMN-MTVAPTMQSA-N 1 1 389.456 -0.210 20 0 GBADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001691499328 1073676845 /nfs/dbraw/zinc/67/68/45/1073676845.db2.gz WUTXSPZEAMQMMJ-LJISPDSOSA-N 1 1 376.461 -0.052 20 0 GBADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001691499328 1073676841 /nfs/dbraw/zinc/67/68/41/1073676841.db2.gz WUTXSPZEAMQMMJ-LJISPDSOSA-N 1 1 376.461 -0.052 20 0 GBADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001691888129 1072079085 /nfs/dbraw/zinc/07/90/85/1072079085.db2.gz HOWNCUOWHOLJBU-KBPBESRZSA-N 1 1 391.476 -0.090 20 0 GBADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001691888129 1072079078 /nfs/dbraw/zinc/07/90/78/1072079078.db2.gz HOWNCUOWHOLJBU-KBPBESRZSA-N 1 1 391.476 -0.090 20 0 GBADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001691888133 1072078502 /nfs/dbraw/zinc/07/85/02/1072078502.db2.gz HOWNCUOWHOLJBU-KGLIPLIRSA-N 1 1 391.476 -0.090 20 0 GBADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001691888133 1072078492 /nfs/dbraw/zinc/07/84/92/1072078492.db2.gz HOWNCUOWHOLJBU-KGLIPLIRSA-N 1 1 391.476 -0.090 20 0 GBADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691902668 1072078537 /nfs/dbraw/zinc/07/85/37/1072078537.db2.gz YQFHTXRAJKHBSR-ORIJERBGSA-N 1 1 382.461 -0.678 20 0 GBADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691902669 1072079170 /nfs/dbraw/zinc/07/91/70/1072079170.db2.gz YQFHTXRAJKHBSR-RZLSGREXSA-N 1 1 382.461 -0.678 20 0 GBADMO CCNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001691907891 1072079032 /nfs/dbraw/zinc/07/90/32/1072079032.db2.gz UHYXOHXQSBQFAO-UOSRWGBYSA-N 1 1 375.429 -0.553 20 0 GBADMO CC(C)NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001691910152 1072078928 /nfs/dbraw/zinc/07/89/28/1072078928.db2.gz AZZVPKPFPLAPKU-MCIONIFRSA-N 1 1 377.445 -0.020 20 0 GBADMO CN(CCN1CC[NH+](CCN2CCNC2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691937628 1072079060 /nfs/dbraw/zinc/07/90/60/1072079060.db2.gz YWFXVNWALUNIEJ-WKULXVSPSA-N 1 1 391.516 -0.489 20 0 GBADMO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691970986 1072078744 /nfs/dbraw/zinc/07/87/44/1072078744.db2.gz BBLGAGHGGMXLHM-PNBKFKSVSA-N 1 1 385.472 -0.033 20 0 GBADMO C[N@@H+](CCN1C(=O)CNC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001691971675 1072079407 /nfs/dbraw/zinc/07/94/07/1072079407.db2.gz AZPUPQYEEGBQMU-HLUFSKSISA-N 1 1 376.457 -0.258 20 0 GBADMO C[N@@H+](CCN1C(=O)CNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001691971676 1072078994 /nfs/dbraw/zinc/07/89/94/1072078994.db2.gz AZPUPQYEEGBQMU-UZVBGSJOSA-N 1 1 376.457 -0.258 20 0 GBADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691971745 1072079319 /nfs/dbraw/zinc/07/93/19/1072079319.db2.gz CDWCZIRXHRLUHH-ORIJERBGSA-N 1 1 382.461 -0.726 20 0 GBADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691971746 1072079124 /nfs/dbraw/zinc/07/91/24/1072079124.db2.gz CDWCZIRXHRLUHH-RZLSGREXSA-N 1 1 382.461 -0.726 20 0 GBADMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001691979784 1072078592 /nfs/dbraw/zinc/07/85/92/1072078592.db2.gz SKURAAIFURTESH-FPCVCCKLSA-N 1 1 378.473 -0.707 20 0 GBADMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001691979785 1072078567 /nfs/dbraw/zinc/07/85/67/1072078567.db2.gz SKURAAIFURTESH-JJXSEGSLSA-N 1 1 378.473 -0.707 20 0 GBADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CCCS(C)(=O)=O ZINC001692007337 1072079108 /nfs/dbraw/zinc/07/91/08/1072079108.db2.gz LSXDWRBPXBCJER-RFQIPJPRSA-N 1 1 375.491 -0.577 20 0 GBADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CCCS(C)(=O)=O ZINC001692007337 1072079102 /nfs/dbraw/zinc/07/91/02/1072079102.db2.gz LSXDWRBPXBCJER-RFQIPJPRSA-N 1 1 375.491 -0.577 20 0 GBADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H]1CC ZINC001692007416 1072079358 /nfs/dbraw/zinc/07/93/58/1072079358.db2.gz OMNRENKZHQZZDX-ZOBORPQBSA-N 1 1 381.477 -0.297 20 0 GBADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H]1CC ZINC001692007416 1072079349 /nfs/dbraw/zinc/07/93/49/1072079349.db2.gz OMNRENKZHQZZDX-ZOBORPQBSA-N 1 1 381.477 -0.297 20 0 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C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@@H+](C)C1CC1 ZINC001692804033 1072086816 /nfs/dbraw/zinc/08/68/16/1072086816.db2.gz SENLQBFLHSBYBF-NEPJUHHUSA-N 1 1 399.521 -0.693 20 0 GBADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001692804036 1072086635 /nfs/dbraw/zinc/08/66/35/1072086635.db2.gz SENLQBFLHSBYBF-NWDGAFQWSA-N 1 1 399.521 -0.693 20 0 GBADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@@H+](C)C1CC1 ZINC001692804037 1072086800 /nfs/dbraw/zinc/08/68/00/1072086800.db2.gz SENLQBFLHSBYBF-RYUDHWBXSA-N 1 1 399.521 -0.693 20 0 GBADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@@H+](C)C1CC1 ZINC001692804039 1072086404 /nfs/dbraw/zinc/08/64/04/1072086404.db2.gz SENLQBFLHSBYBF-VXGBXAGGSA-N 1 1 399.521 -0.693 20 0 GBADMO Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCn1cc[nH+]c1C ZINC001693387034 1072087892 /nfs/dbraw/zinc/08/78/92/1072087892.db2.gz DAAGKXFAOVSXHQ-UHFFFAOYSA-N 1 1 386.460 -0.281 20 0 GBADMO Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCNS(C)(=O)=O ZINC001693461105 1072089200 /nfs/dbraw/zinc/08/92/00/1072089200.db2.gz WHJNHEIHPYKGPO-UHFFFAOYSA-N 1 1 388.538 -0.070 20 0 GBADMO Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001693464842 1072089232 /nfs/dbraw/zinc/08/92/32/1072089232.db2.gz BMDPUWWDZBUXRT-BBRMVZONSA-N 1 1 388.476 -0.103 20 0 GBADMO Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001693464848 1072089260 /nfs/dbraw/zinc/08/92/60/1072089260.db2.gz BMDPUWWDZBUXRT-CJNGLKHVSA-N 1 1 388.476 -0.103 20 0 GBADMO Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001693464850 1072089141 /nfs/dbraw/zinc/08/91/41/1072089141.db2.gz BMDPUWWDZBUXRT-CZUORRHYSA-N 1 1 388.476 -0.103 20 0 GBADMO Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001693464852 1072089091 /nfs/dbraw/zinc/08/90/91/1072089091.db2.gz BMDPUWWDZBUXRT-XJKSGUPXSA-N 1 1 388.476 -0.103 20 0 GBADMO 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/nfs/dbraw/zinc/09/08/53/1072090853.db2.gz IGHDXRRMRFQXBU-LIRRHRJNSA-N 1 1 391.520 -0.558 20 0 GBADMO Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693516576 1072091611 /nfs/dbraw/zinc/09/16/11/1072091611.db2.gz KDTQJHQLIBGGCE-IBGZPJMESA-N 1 1 391.520 -0.602 20 0 GBADMO Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693516577 1072091176 /nfs/dbraw/zinc/09/11/76/1072091176.db2.gz KDTQJHQLIBGGCE-LJQANCHMSA-N 1 1 391.520 -0.602 20 0 GBADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001693518898 1072091456 /nfs/dbraw/zinc/09/14/56/1072091456.db2.gz RUYFRUJCHLPQMU-INIZCTEOSA-N 1 1 392.504 -0.129 20 0 GBADMO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001693518899 1072091997 /nfs/dbraw/zinc/09/19/97/1072091997.db2.gz RUYFRUJCHLPQMU-MRXNPFEDSA-N 1 1 392.504 -0.129 20 0 GBADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693519267 1072092647 /nfs/dbraw/zinc/09/26/47/1072092647.db2.gz WFBBQGDTQIVELG-CABCVRRESA-N 1 1 375.477 -0.392 20 0 GBADMO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693519276 1072092126 /nfs/dbraw/zinc/09/21/26/1072092126.db2.gz WFBBQGDTQIVELG-HUUCEWRRSA-N 1 1 375.477 -0.392 20 0 GBADMO Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001693519284 1072092478 /nfs/dbraw/zinc/09/24/78/1072092478.db2.gz WLYYNRYLWHLPHF-UHFFFAOYSA-N 1 1 386.464 -0.816 20 0 GBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693550575 1072092101 /nfs/dbraw/zinc/09/21/01/1072092101.db2.gz CYZLJRAVAWJSNZ-FOIQADDNSA-N 1 1 399.499 -0.003 20 0 GBADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693550581 1072092440 /nfs/dbraw/zinc/09/24/40/1072092440.db2.gz CYZLJRAVAWJSNZ-MGPUTAFESA-N 1 1 399.499 -0.003 20 0 GBADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693550584 1072092394 /nfs/dbraw/zinc/09/23/94/1072092394.db2.gz CYZLJRAVAWJSNZ-QRWLVFNGSA-N 1 1 399.499 -0.003 20 0 GBADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693550587 1072092538 /nfs/dbraw/zinc/09/25/38/1072092538.db2.gz CYZLJRAVAWJSNZ-YWZLYKJASA-N 1 1 399.499 -0.003 20 0 GBADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001693558750 1072093475 /nfs/dbraw/zinc/09/34/75/1072093475.db2.gz ICLVNFJVUFZLER-DZGCQCFKSA-N 1 1 375.477 -0.535 20 0 GBADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001693558756 1072093000 /nfs/dbraw/zinc/09/30/00/1072093000.db2.gz ICLVNFJVUFZLER-HIFRSBDPSA-N 1 1 375.477 -0.535 20 0 GBADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001693558764 1072093348 /nfs/dbraw/zinc/09/33/48/1072093348.db2.gz ICLVNFJVUFZLER-UKRRQHHQSA-N 1 1 375.477 -0.535 20 0 GBADMO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001693558769 1072092969 /nfs/dbraw/zinc/09/29/69/1072092969.db2.gz ICLVNFJVUFZLER-ZFWWWQNUSA-N 1 1 375.477 -0.535 20 0 GBADMO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001693559183 1072093290 /nfs/dbraw/zinc/09/32/90/1072093290.db2.gz KFGCVYMHLBVYKK-HNNXBMFYSA-N 1 1 386.522 -0.485 20 0 GBADMO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001693559227 1072092924 /nfs/dbraw/zinc/09/29/24/1072092924.db2.gz KFGCVYMHLBVYKK-OAHLLOKOSA-N 1 1 386.522 -0.485 20 0 GBADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692066 1072093406 /nfs/dbraw/zinc/09/34/06/1072093406.db2.gz GUZZORJZZCEULA-KBPBESRZSA-N 1 1 396.517 -0.052 20 0 GBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692092 1072092877 /nfs/dbraw/zinc/09/28/77/1072092877.db2.gz GUZZORJZZCEULA-KGLIPLIRSA-N 1 1 396.517 -0.052 20 0 GBADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692093 1072092895 /nfs/dbraw/zinc/09/28/95/1072092895.db2.gz GUZZORJZZCEULA-UONOGXRCSA-N 1 1 396.517 -0.052 20 0 GBADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692095 1072093200 /nfs/dbraw/zinc/09/32/00/1072093200.db2.gz GUZZORJZZCEULA-ZIAGYGMSSA-N 1 1 396.517 -0.052 20 0 GBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693752089 1072093745 /nfs/dbraw/zinc/09/37/45/1072093745.db2.gz PPHNJTCPGPVTLV-ACJLOTCBSA-N 1 1 388.476 -0.588 20 0 GBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693752090 1072094186 /nfs/dbraw/zinc/09/41/86/1072094186.db2.gz PPHNJTCPGPVTLV-FZKQIMNGSA-N 1 1 388.476 -0.588 20 0 GBADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693752091 1072094094 /nfs/dbraw/zinc/09/40/94/1072094094.db2.gz PPHNJTCPGPVTLV-SCLBCKFNSA-N 1 1 388.476 -0.588 20 0 GBADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693752094 1072094019 /nfs/dbraw/zinc/09/40/19/1072094019.db2.gz PPHNJTCPGPVTLV-UGSOOPFHSA-N 1 1 388.476 -0.588 20 0 GBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693756729 1072093872 /nfs/dbraw/zinc/09/38/72/1072093872.db2.gz ZAVLJQCGNMQBGE-ACJLOTCBSA-N 1 1 386.460 -0.531 20 0 GBADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693756833 1072094132 /nfs/dbraw/zinc/09/41/32/1072094132.db2.gz ZAVLJQCGNMQBGE-FZKQIMNGSA-N 1 1 386.460 -0.531 20 0 GBADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693756836 1072093721 /nfs/dbraw/zinc/09/37/21/1072093721.db2.gz ZAVLJQCGNMQBGE-SCLBCKFNSA-N 1 1 386.460 -0.531 20 0 GBADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693756838 1072094214 /nfs/dbraw/zinc/09/42/14/1072094214.db2.gz ZAVLJQCGNMQBGE-UGSOOPFHSA-N 1 1 386.460 -0.531 20 0 GBADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001693869902 1072095545 /nfs/dbraw/zinc/09/55/45/1072095545.db2.gz PNIKCSLPHSOFRS-KBPBESRZSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001693869902 1072095537 /nfs/dbraw/zinc/09/55/37/1072095537.db2.gz PNIKCSLPHSOFRS-KBPBESRZSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001693869903 1072095600 /nfs/dbraw/zinc/09/56/00/1072095600.db2.gz PNIKCSLPHSOFRS-KGLIPLIRSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001693869903 1072095592 /nfs/dbraw/zinc/09/55/92/1072095592.db2.gz PNIKCSLPHSOFRS-KGLIPLIRSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001693869904 1072095183 /nfs/dbraw/zinc/09/51/83/1072095183.db2.gz PNIKCSLPHSOFRS-UONOGXRCSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001693869904 1072095174 /nfs/dbraw/zinc/09/51/74/1072095174.db2.gz PNIKCSLPHSOFRS-UONOGXRCSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001693869906 1072095475 /nfs/dbraw/zinc/09/54/75/1072095475.db2.gz PNIKCSLPHSOFRS-ZIAGYGMSSA-N 1 1 388.476 -0.289 20 0 GBADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001693869906 1072095470 /nfs/dbraw/zinc/09/54/70/1072095470.db2.gz PNIKCSLPHSOFRS-ZIAGYGMSSA-N 1 1 388.476 -0.289 20 0 GBADMO CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCNS(C)(=O)=O ZINC001694747208 1072098545 /nfs/dbraw/zinc/09/85/45/1072098545.db2.gz NAZANCFWRDOHKY-AWEZNQCLSA-N 1 1 386.522 -0.309 20 0 GBADMO CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCNS(C)(=O)=O ZINC001694747210 1072098231 /nfs/dbraw/zinc/09/82/31/1072098231.db2.gz NAZANCFWRDOHKY-CQSZACIVSA-N 1 1 386.522 -0.309 20 0 GBADMO CCc1nnc(N2CCN(CCOC)C(=O)C2)n1CCC[NH+]1CCOCC1 ZINC001694750636 1072099375 /nfs/dbraw/zinc/09/93/75/1072099375.db2.gz MDZFQJHESLXTHU-UHFFFAOYSA-N 1 1 380.493 -0.142 20 0 GBADMO CCc1nnc(N2CC[NH+](CCOC)CC2)n1CCS(=O)(=O)NC(C)C ZINC001694752177 1072098895 /nfs/dbraw/zinc/09/88/95/1072098895.db2.gz SAIHBTZQMBXDCK-UHFFFAOYSA-N 1 1 388.538 -0.063 20 0 GBADMO CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCNS(=O)(=O)CC ZINC001694754008 1072099509 /nfs/dbraw/zinc/09/95/09/1072099509.db2.gz VSSCCASDTQQRLC-AWEZNQCLSA-N 1 1 386.522 -0.309 20 0 GBADMO CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCNS(=O)(=O)CC ZINC001694754008 1072099499 /nfs/dbraw/zinc/09/94/99/1072099499.db2.gz VSSCCASDTQQRLC-AWEZNQCLSA-N 1 1 386.522 -0.309 20 0 GBADMO CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCNS(=O)(=O)CC ZINC001694754010 1072099261 /nfs/dbraw/zinc/09/92/61/1072099261.db2.gz VSSCCASDTQQRLC-CQSZACIVSA-N 1 1 386.522 -0.309 20 0 GBADMO CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCNS(=O)(=O)CC ZINC001694754010 1072099248 /nfs/dbraw/zinc/09/92/48/1072099248.db2.gz VSSCCASDTQQRLC-CQSZACIVSA-N 1 1 386.522 -0.309 20 0 GBADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC[N@@H+](C)CCOC ZINC001694785808 1072100070 /nfs/dbraw/zinc/10/00/70/1072100070.db2.gz OTZBIPBKBTTYKE-HNNXBMFYSA-N 1 1 390.492 -0.028 20 0 GBADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC[N@@H+](C)CCOC ZINC001694785811 1072100094 /nfs/dbraw/zinc/10/00/94/1072100094.db2.gz OTZBIPBKBTTYKE-OAHLLOKOSA-N 1 1 390.492 -0.028 20 0 GBADMO CC[C@H]1CN(c2nnc(C)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001694923331 1072100468 /nfs/dbraw/zinc/10/04/68/1072100468.db2.gz QIALAVRKMOKXCO-INIZCTEOSA-N 1 1 380.493 -0.008 20 0 GBADMO CC[C@@H]1CN(c2nnc(C)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001694923395 1072100548 /nfs/dbraw/zinc/10/05/48/1072100548.db2.gz QIALAVRKMOKXCO-MRXNPFEDSA-N 1 1 380.493 -0.008 20 0 GBADMO CCC[N@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001695371661 1072101263 /nfs/dbraw/zinc/10/12/63/1072101263.db2.gz RQGBVNPVUWNNGV-CABCVRRESA-N 1 1 375.477 -0.535 20 0 GBADMO CCC[N@H+]1CC[C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001695371662 1072101310 /nfs/dbraw/zinc/10/13/10/1072101310.db2.gz RQGBVNPVUWNNGV-GJZGRUSLSA-N 1 1 375.477 -0.535 20 0 GBADMO CCC[N@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001695371663 1072101294 /nfs/dbraw/zinc/10/12/94/1072101294.db2.gz RQGBVNPVUWNNGV-HUUCEWRRSA-N 1 1 375.477 -0.535 20 0 GBADMO CCC[N@H+]1CC[C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001695371664 1072101278 /nfs/dbraw/zinc/10/12/78/1072101278.db2.gz RQGBVNPVUWNNGV-LSDHHAIUSA-N 1 1 375.477 -0.535 20 0 GBADMO CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001695442326 1072101767 /nfs/dbraw/zinc/10/17/67/1072101767.db2.gz UMMGDDHBLIHACY-HNNXBMFYSA-N 1 1 388.476 -0.274 20 0 GBADMO CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001695442326 1072101761 /nfs/dbraw/zinc/10/17/61/1072101761.db2.gz UMMGDDHBLIHACY-HNNXBMFYSA-N 1 1 388.476 -0.274 20 0 GBADMO CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001695442327 1072101783 /nfs/dbraw/zinc/10/17/83/1072101783.db2.gz UMMGDDHBLIHACY-OAHLLOKOSA-N 1 1 388.476 -0.274 20 0 GBADMO CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001695442327 1072101780 /nfs/dbraw/zinc/10/17/80/1072101780.db2.gz UMMGDDHBLIHACY-OAHLLOKOSA-N 1 1 388.476 -0.274 20 0 GBADMO CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001695495598 1072101800 /nfs/dbraw/zinc/10/18/00/1072101800.db2.gz DNEUNNFMEMJYCS-HNNXBMFYSA-N 1 1 377.493 -0.192 20 0 GBADMO CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001695495613 1072101856 /nfs/dbraw/zinc/10/18/56/1072101856.db2.gz DNEUNNFMEMJYCS-OAHLLOKOSA-N 1 1 377.493 -0.192 20 0 GBADMO CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCOC)CC1 ZINC001695501098 1072101847 /nfs/dbraw/zinc/10/18/47/1072101847.db2.gz KKTCCKGVJSBDIW-UHFFFAOYSA-N 1 1 388.476 -0.018 20 0 GBADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2nnn(C)n2)CC1 ZINC001695587888 1072102453 /nfs/dbraw/zinc/10/24/53/1072102453.db2.gz AZCLAFOUMBCOCN-UHFFFAOYSA-N 1 1 390.496 -0.461 20 0 GBADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2nnn(C)n2)CC1 ZINC001695587888 1072102449 /nfs/dbraw/zinc/10/24/49/1072102449.db2.gz AZCLAFOUMBCOCN-UHFFFAOYSA-N 1 1 390.496 -0.461 20 0 GBADMO CC[N@H+]1CC[C@H](Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001695827394 1072104050 /nfs/dbraw/zinc/10/40/50/1072104050.db2.gz DWVAIODYMFQLAX-HNNXBMFYSA-N 1 1 389.504 -0.144 20 0 GBADMO CC[N@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001695827395 1072103775 /nfs/dbraw/zinc/10/37/75/1072103775.db2.gz DWVAIODYMFQLAX-OAHLLOKOSA-N 1 1 389.504 -0.144 20 0 GBADMO CCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001695864696 1072103849 /nfs/dbraw/zinc/10/38/49/1072103849.db2.gz PLYSHRYQLYKEAK-BEFAXECRSA-N 1 1 392.504 -0.093 20 0 GBADMO CCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001695864699 1072103909 /nfs/dbraw/zinc/10/39/09/1072103909.db2.gz PLYSHRYQLYKEAK-DNVCBOLYSA-N 1 1 392.504 -0.093 20 0 GBADMO CCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001695864701 1072104164 /nfs/dbraw/zinc/10/41/64/1072104164.db2.gz PLYSHRYQLYKEAK-HNAYVOBHSA-N 1 1 392.504 -0.093 20 0 GBADMO CCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001695864703 1072104077 /nfs/dbraw/zinc/10/40/77/1072104077.db2.gz PLYSHRYQLYKEAK-KXBFYZLASA-N 1 1 392.504 -0.093 20 0 GBADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001695870351 1072104210 /nfs/dbraw/zinc/10/42/10/1072104210.db2.gz WDLCKLSTVQYRSC-GDBMZVCRSA-N 1 1 379.509 -0.436 20 0 GBADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001695870352 1072103870 /nfs/dbraw/zinc/10/38/70/1072103870.db2.gz WDLCKLSTVQYRSC-GOEBONIOSA-N 1 1 379.509 -0.436 20 0 GBADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001695870354 1072104151 /nfs/dbraw/zinc/10/41/51/1072104151.db2.gz WDLCKLSTVQYRSC-HOCLYGCPSA-N 1 1 379.509 -0.436 20 0 GBADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001695870356 1072103982 /nfs/dbraw/zinc/10/39/82/1072103982.db2.gz WDLCKLSTVQYRSC-ZBFHGGJFSA-N 1 1 379.509 -0.436 20 0 GBADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnn(C)n2)C[C@H]1C ZINC001695873141 1072104000 /nfs/dbraw/zinc/10/40/00/1072104000.db2.gz JKLHJMJOGVFGAW-GFCCVEGCSA-N 1 1 376.469 -0.482 20 0 GBADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001695873189 1072103857 /nfs/dbraw/zinc/10/38/57/1072103857.db2.gz JKLHJMJOGVFGAW-LBPRGKRZSA-N 1 1 376.469 -0.482 20 0 GBADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001695878096 1072104135 /nfs/dbraw/zinc/10/41/35/1072104135.db2.gz SGXQJASHZANBKR-CYBMUJFWSA-N 1 1 396.521 -0.242 20 0 GBADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001695878109 1072104086 /nfs/dbraw/zinc/10/40/86/1072104086.db2.gz SGXQJASHZANBKR-ZDUSSCGKSA-N 1 1 396.521 -0.242 20 0 GBADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnn(C)n2)C[C@H]1C ZINC001695882577 1072103894 /nfs/dbraw/zinc/10/38/94/1072103894.db2.gz PPOSDKQRTMPQLI-CYBMUJFWSA-N 1 1 388.480 -0.497 20 0 GBADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001695882648 1072103802 /nfs/dbraw/zinc/10/38/02/1072103802.db2.gz PPOSDKQRTMPQLI-ZDUSSCGKSA-N 1 1 388.480 -0.497 20 0 GBADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)C[C@H]1C 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